Chemistry Books

Book SynopsisTable of ContentsPreface xix Contributors xxiii 1 An Overview of the Modeling of Electrokinetic Remediation 1Maria Villen-Guzman, Maria del Mar Cerrillo-Gonzalez, Juan Manuel Paz-Garcia, and Jose Miguel Rodriguez-Maroto 1.1 Introduction 1 1.2 Reactive Transport 3 1.2.1 One-Dimensional Electromigration Model 3 1.2.2 One-Dimensional Electromigration and Electroosmosis Model 7 1.2.3 One-Dimensional Electrodialytic Model 9 1.2.4 One-Dimensional Electroremediation Model Using Nernst-Planck-Poisson 16 1.3 Chemical Equilibrium 18 1.4 Models for the Future 24 1.4.1 Combining Chemical Equilibrium and Chemical Reaction Kinetics 24 1.4.2 Multiscale Models 26 1.4.3 Two- and Three-Dimensional Models 29 1.4.4 Multiphysics Modeling 29 Acknowledgments 30 References 30 2 Basic Electrochemistry Tools in Environmental Applications 35Chanchal Kumar Mitra and Majeti Narasimha Vara Prasad 2.1 Introduction 35 2.1.1 Electrochemical Half-Cells 37 2.1.2 Electrode Potential 38 2.1.3 Electrical Double Layer 40 2.1.4 Electrochemical Processes 41 2.1.4.1 Polarization (Overvoltage) 41 2.1.4.2 Slow Chemical Reactions 42 2.2 Basic Bioelectrochemistry and Applications 44 2.3 Industrial Electrochemistry and the Environment 44 2.3.1 Isolation and Purification of Important Metals 44 2.3.2 Production of Important Chemical Intermediates by Electrochemistry 45 2.4 Electrokinetic Phenomena 45 2.4.1 Electroosmosis in Bioremediation 46 2.5 Electrophoresis and Its Application in Bioremediation 47 2.6 Biosensors in Environmental Monitoring 48 2.6.1 What Are Biosensors? 48 2.6.2 Biosensors as Environmental Monitors 49 2.7 Electrochemical Systems as Energy Sources 52 2.8 Conclusions 55 References 55 3 Combined Use of Remediation Technologies with Electrokinetics 61Helena I. Gomes and Erika B. Bustos 3.1 Introduction 61 3.2 Biological Processes 62 3.2.1 Electrobioremediation 62 3.2.2 Electro-Phytoremediation 64 3.3 Permeable Reactive Barriers 67 3.4 Advanced Oxidation Processes 67 3.4.1 Electrokinetics-Enhanced In Situ Chemical Oxidation (EK-ISCO) 67 3.4.2 Electro-Fenton 70 3.5 In Situ Chemical Reduction (ISCR) 71 3.6 Challenges for Upscaling 71 3.7 Concluding Remarks 73 References 73 4 The Electrokinetic Recovery of Tungsten and Removal of Arsenic from Mining Secondary Resources: The Case of the Panasqueira Mine 85Joana Almeida, Paulina Faria, António Santos Silva, Eduardo P. Mateus, and Alexandra B. Ribeiro 4.1 Introduction 85 4.2 Tungsten Mining Resources: The Panasqueira Mine 86 4.2.1 The Development of the Industry 86 4.2.2 Ore Extraction Processes 88 4.2.3 Potential Risks 88 4.3 The Circular Economy of Tungsten Mining Waste 89 4.3.1 Panasqueira Old Slimes vs. Current Slimes 89 4.3.2 Tungsten Recovery 90 4.3.3 Building Material–Related Applications 92 4.4 Social, Economic, and Environmental Impacts 93 4.5 Final Remarks 94 Acknowledgments 94 References 95 5 Electrokinetic Remediation of Dredged Contaminated Sediments 99Kristine B. Pedersen, Ahmed Benamar, Mohamed T. Ammami, Florence Portet-Koltalo, and Gunvor M. Kirkelund 5.1 Introduction 99 5.2 EKR Removal of Pollutants from Harbor Sediments 101 5.2.1 Pollutants and Removal Efficiencies 101 5.2.1.1 Metals 102 5.2.1.2 Organic Pollutants and Organometallic Pollutants 104 5.2.2 Influence of Experimental Settings and Sediment Properties on the Efficiency of EKR 105 5.2.2.1 Enhancement of EKR – Changes in Design 106 5.2.2.2 Enhancement of EKR – Chemical Agents and Surfactants 106 5.2.2.3 Sediment Characteristics 108 5.3 Case Studies of Enhancement Techniques 111 5.4 Evaluation of the Best Available EKR Practice 120 5.4.1 Energy Consumption 120 5.4.2 Environmental Impacts 122 5.5 Scaling Up EKR for Remediation of Polluted Harbor Sediments 123 5.5.1 Results and Comments 125 5.6 Future Perspectives 129 References 131 6 Pharmaceutically Active Compounds in Wastewater Treatment Plants: Electrochemical Advanced Oxidation as Onsite Treatment 141Ana Rita Ferreira, Paula Guedes, Eduardo P. Mateus, Alexandra B. Ribeiro, and Nazaré Couto 6.1 Introduction 141 6.1.1 Emerging Organic Contaminants 141 6.1.2 Occurrence and Fate of EOCs 141 6.1.2.1 EOCs in WWTPs 143 6.1.3 Water Challenges 144 6.1.4 Technologies forWastewater Treatment – Electrochemical Process 146 6.2 Electrochemical Reactor for EOC Removal in WWTPs 148 6.2.1 Experimental Design 148 6.2.1.1 Analytical Methodology 148 6.2.2 Electrokinetic Reactor Operating in a Continuous Vertical Flow Mode 150 6.3 Conclusions 153 Acknowledgments 153 References 153 7 Rare Earth Elements: Overview, General Concepts, and Recovery Techniques, Including Electrodialytic Extraction 159Nazaré Couto, Ana Rita Ferreira, Vanda Lopes, Stephen Peters, Sibel Pamukcu, and Alexandra B. Ribeiro 7.1 Introduction 159 7.1.1 Rare Earth Elements: Characterization, Applications, and Geo-Dependence 159 7.1.2 REE Mining and Secondary Sources 162 7.1.3 REE Extraction and Recovery from Secondary Resources 163 7.2 Case Study 164 7.3 Conclusions 166 Acknowledgments 167 References 167 8 Hydrocarbon-Contaminated Soil in Cold Climate Conditions: Electrokinetic-Bioremediation Technology as a Remediation Strategy 173Ana Rita Ferreira, Paula Guedes, Eduardo P. Mateus, Pernille Erland Jensen, Alexandra B. Ribeiro, and Nazaré Couto 8.1 Introduction 173 8.1.1 Hydrocarbon Contamination 173 8.1.2 Oil Spills in Arctic Environments 174 8.1.3 Remediation of Petroleum-Contaminated Soil 175 8.1.3.1 Electrokinetic Remediation (EKR) 176 8.2 Case Study 177 8.2.1 Description of the Site 177 8.2.2 Soil Sampling 178 8.2.3 Electrokinetic Remediation (EKR) Experiments 178 8.2.4 Analytical Procedures 179 8.2.4.1 Soil Characterization 179 8.3 Determination of Metals and Phosphorus 180 8.3.1 Results and Discussion 180 8.3.1.1 Soil Characteristics 180 8.3.1.2 EKR Experiments 182 8.4 Conclusions 186 Acknowledgments 186 References 186 9 Electrochemical Migration of Oil and Oil Products in Soil 191 V.A. Korolev and D.S. Nesterov 9.1 Introduction 191 9.2 Specific Nature of Soils Polluted by Oil and Its Products 192 9.3 Influence of Mineral Composition 193 9.4 Influence of Soil Dispersiveness 195 9.5 Influence of Physical Soil Properties 198 9.6 Influence of Physico-Chemical Soil Properties 201 9.7 Influence of the InitialWater/Oil Ratio in a Soil 203 9.8 Influence of the Oil Aging Process 207 9.9 Influence of Oil Composition 211 9.10 Conclusions 220 Acknowledgments 222 References 222 10 Nanostructured TiO2-Based Hydrogen Evolution Reaction (HER) Electrocatalysts: A Preliminary Feasibility Study in Electrodialytic Remediation with Hydrogen Recovery 227Antonio Rubino, Joana Almeida, Catia Magro, Pier G. Schiavi, Paula Guedes, Nazare Couto, Eduardo P. Mateus, Pietro Altimari, Maria L. Astolfi, Robertino Zanoni, Alexandra B. Ribeiro, and Francesca Pagnanelli 10.1 Introduction 227 10.1.1 Electrokinetic Technologies: Electrodialytic Ex Situ Remediation 228 10.1.2 Nanostructured TiO2 Electrocatalysts Synthesized Through Electrochemical Methods 230 10.2 Case Study 231 10.2.1 Aim and Scope 231 10.2.2 Experimental 232 10.2.2.1 TiO2 Based Electrocatalyst Synthesis and Characterization 232 10.2.2.2 ED Experiments 233 10.2.3 Discussion 235 10.2.3.1 Blank Tests: Electrocatalysts Effectiveness toward HER 235 10.2.3.2 ED Remediation for Sustainable CRMs Recovery 237 10.3 Final Considerations 243 Acknowledgments 244 References 244 11 Hydrogen Recovery in Electrodialytic-Based Technologies Applied to Environmental Contaminated Matrices 251Cátia Magro, Joana Almeida, Juan Manuel Paz-Garcia, Eduardo P. Mateus, and Alexandra B. Ribeiro 11.1 Scope 251 11.2 Technology Concept 253 11.2.1 Potential Secondary Resources 253 11.2.2 Electrodialytic Reactor 254 11.2.2.1 Electrodes 254 11.2.2.2 Ion-Exchange Membranes 256 11.2.2.3 PEMFC System 258 11.3 Economic Assessment of PEMFC Coupled with Electroremediation 260 11.3.1 Scenario Analysis 260 11.3.2 Hydrogen Business Model Canvas 262 11.3.3 SWOT Analysis 264 11.4 Final Remarks 265 Acknowledgments 266 References 266 12 Electrokinetic-Phytoremediation of Mixed Contaminants in Soil 271Joana Dionísio, Nazaré Couto, Paula Guedes, Cristiana Gonçalves, and Alexandra B. Ribeiro 12.1 Soil Contamination 271 12.2 Phytoremediation 272 12.3 Electroremediation 274 12.3.1 EK Process Coupled with Phytoremediation 275 12.3.2 EK-Assisted Bioremediation in the Treatment of Inorganic Contaminants 277 12.3.3 EK-Assisted Bioremediation in the Treatment of Organic Contaminants 278 12.4 Case Study of EK and Electrokinetic-Assisted Phytoremediation 279 12.5 Conclusions 281 Acknowledgments 282 References 282 13 Enhanced Electrokinetic Techniques in Soil Remediation for Removal of Heavy Metals 287Sadia Ilyas, Rajiv Ranjan Srivastava, Hyunjung Kim, and Humma Akram Cheema 13.1 Introduction 287 13.2 Electrokinetic Mechanism and Phenomenon 288 13.3 Limitations of the Electrokinetic Remediation Process 289 13.4 Need for Enhancement in the Electrokinetic Remediation Process 290 13.5 Enhancement Techniques 292 13.5.1 Surface Modification 292 13.6 Cation-Selective Membranes 293 13.7 Electro-Bioremediation 294 13.8 Electro-Geochemical Oxidation 295 13.9 LasagnaTM Process 296 13.10 Other Potential Processes 296 13.11 Summary 298 Acknowledgments 299 References 299 14 Assessment of Soil Fertility and Microbial Activity by Direct Impact of an Electrokinetic Process on Chromium-Contaminated Soil 303Prasun Kumar Chakraborty, Prem Prakash, and Brijesh Kumar Mishra 14.1 Introduction 303 14.2 Experimental Section 304 14.2.1 Soil Characteristics and Preparation of Contaminated Soil 304 14.2.2 Electrokinetic Tests, Experimental Setup, and Procedure 305 14.2.3 Testing Procedure 306 14.2.4 Extraction and Analytical Methods 306 14.2.5 Soil Nutrients 306 14.2.6 Soil Microbial Biomass Carbon Analysis 307 14.2.7 Quality Control and Quality Assurance 307 14.3 Results and Discussion 308 14.3.1 Electrokinetic Remediation of Chromium-Contaminated Soil 308 14.3.1.1 Electrical Current Changes During the Electrokinetic Experiment 308 14.3.2 pH Distribution in Soil During and After the Electrokinetic Experiment 309 14.4 Removal of Cr 310 14.4.1 The Distribution of Total Cr and Its Electroosmotic Flow During the Electrokinetic Experiment 310 14.5 Effects of the Electrokinetic Process on Some Soil Properties 312 14.5.1 Soil Organic Carbon 312 14.5.2 Soil-Available Nitrogen, Phosphorus, Potassium, and Calcium 314 14.5.3 Soil Microbial Biomass Carbon 318 14.6 Conclusion 318 References 319 15 Management of Clay Properties Based on Electrokinetic Nanotechnology 323D.S. Nesterov and V.A. Korolev 15.1 Introduction 323 15.2 Objects of the Study 326 15.3 Methods of the Study 328 15.4 Results and Discussion 330 15.4.1 Regulation of Soil rN 330 15.4.2 Regulation of Oxidation-Reduction Potential 332 15.4.3 Regulation of Soil Particle Surface-Charge Density 332 15.4.4 EDL Parameter Regulation 339 15.4.5 Regulation of Clay CEC 343 15.4.6 Regulation of Physico-Chemical Parameters of Soils 345 15.4.7 Regulation of Soil Texture and Structure 346 15.4.8 Regulation of Physical Clay Properties 352 15.4.9 Regulation of Soil Strength and Deformability 353 15.5 Conclusions 354 Acknowledgments 355 Abbreviations 355 References 357 16 Technologies to Create Electrokinetic Protective Barriers 363D.S. Nesterov and V.A. Korolev 16.1 Introduction 363 16.2 Conventional Electrokinetic Barriers 366 16.2.1 Cationic Contaminants 366 16.2.2 Anionic Pollutants 367 16.2.3 Advanced EKB Implementations 367 16.2.4 Using EKBs for Soil Remediation 368 16.3 Electrokinetic Barrier with Ion-Selective Membranes (IS-EKB) 369 16.4 Electrokinetic Barrier Based on Geosynthetics (EKG-B) 370 16.5 Bio-Electrokinetic Protective Barrier (Bio-EKB) 371 16.6 Electrokinetic Permeable Reactive Barriers (EK-PRB) 376 16.6.1 EK-PRBs Based on Activated Carbon 377 16.6.2 EK-PRBs Based on Iron Compounds 378 16.6.2.1 ZVI-Based EK-PRBs 379 16.6.2.2 EK-PRBs Based on Ferric/Ferrous Compounds 381 16.6.3 EK-PRBs Based on Red Mud 382 16.6.4 EK-PRBs Based on Zeolites 383 16.6.5 EK-PRBs Based on Clays or Modified Soils 383 16.6.6 Other Materials for the Creation of EK-PRBs 384 16.7 Electrokinetic Permeable Reactive Barriers to Prevent Radionuclide Contamination 397 16.8 Conclusion 400 Acknowledgments 401 Abbreviations 401 References 403 17 Emerging Contaminants in Wastewater: Sensor Potential for Monitoring Electroremediation Systems 413Cátia Magro, Eduardo P. Mateus, Maria de Fátima Raposo, and Alexandra B. Ribeiro 17.1 Scope 413 17.2 Removal Technologies: Electroremediation Treatment 416 17.3 Monitoring Tool: Electronic Tongues Devices 417 17.3.1 Sensor Design 418 17.3.1.1 Thin-Film Nanomaterials 419 17.3.1.2 Promising Thin-Film Deposition Techniques 420 17.3.1.3 Electrical Measurements: Impedance Spectroscopy 422 17.3.2 Data Treatment 424 17.4 Critical View on Coupling EK and Electronic Tongues 424 17.5 Final Remarks 427 Acknowledgments 428 References 428 18 Perspectives on Electrokinetic Remediation of Contaminants of Emerging Concern in Soil 433Paula Guedes, Nazaré Couto, Eduardo P. Mateus, Cristina Silva Pereira, and Alexandra B. Ribeiro 18.1 Introduction 433 18.1.1 Soil Pollution 433 18.1.2 Contaminants of Emerging Concern 434 18.2 Electrokinetic Process 436 18.2.1 Removal Mechanisms 437 18.2.2 Electro-Degradation Mechanisms 439 18.2.3 Enhanced Bio-Degradation 442 18.3 Conclusion 445 Acknowledgments 446 References 446 19 Electrokinetic Remediation for the Removal of Organic Waste in Soil and Sediments 453S.M.P.A Koliyabandara, Chamika Siriwardhana, Sakuni M. De Silva, Janitha Walpita, and Asitha T. Cooray 19.1 Introduction 453 19.2 Organic Soil Pollution 453 19.2.1 The Fate of Organic Soil Pollutants 455 19.2.2 Biomagnification and Bioaccumulation of Soil Pollutants 455 19.3 Soil Remediation Methods 456 19.3.1 Physical Methods 456 19.3.1.1 Capping 456 19.3.1.2 Thermal Desorption 457 19.3.1.3 Soil Vapor Extraction (SVE) 458 19.3.1.4 Incineration 458 19.3.1.5 Air Sparging 458 19.3.2 Chemical Methods 458 19.3.2.1 SoilWashing/Flushing 459 19.3.2.2 Chemical Oxidation Remediation 459 19.3.3 Bioremediation 460 19.3.3.1 Microbial Remediation 460 19.3.3.2 Phytoremediation 460 19.4 Electrokinetic Remediation (EKR) 461 19.4.1 Basic Principles of EKR 461 19.4.1.1 Electrolysis of PoreWater 462 19.4.1.2 Electromigration 462 19.4.1.3 Electroosmosis 464 19.4.1.4 Electrophoresis 464 19.5 EKR for the Treatment of Soils and Sediments 464 19.5.1 Enhancement Techniques Coupled with EKR 466 19.5.1.1 Techniques Used to Enhance the Solubility of Contaminants 466 19.5.1.2 Techniques to Control Soil pH 466 19.5.1.3 Coupling with Other Remediation Techniques 467 19.5.2 Facilitating Agents for PAH Removal 468 19.5.2.1 Cyclodextrin-Enhanced EKR 468 19.5.2.2 Surfactant-Enhanced EKR 468 19.5.3 Cosolvent-Enhanced EKR 469 19.5.4 Biosurfactant–Enhanced EKR 469 19.6 Factors Affecting the Efficiency of Electrokinetic Remediation 470 19.6.1 Effect of pH 470 19.6.2 Effect of Electrolytes 470 19.6.3 Effect of Soil Characteristics 470 19.6.4 Effect of the Voltage Gradient 471 19.7 Conclusions and Future Perspective 471 Acknowledgments 471 References 472 20 The Integration of Electrokinetics and In Situ Chemical Oxidation Processes for the Remediation of Organically Polluted Soils 479Long Cang, Qiao Huang, Hongting Xu, and Mingzhu Zhou 20.1 Introduction 479 20.2 Principles Underlying EK-ISCO Remediation Technology 480 20.2.1 Desorption and Migration of Organic Pollutants 480 20.2.2 Oxidant Migration 482 20.3 Factors that Influence EK-ISCO Technology 484 20.3.1 Soil Properties 484 20.3.2 Dosage and Methods Used to Add Oxidants to Soil 485 20.3.3 Concentration and Aging of Organic Pollutants 486 20.4 Enhanced EK-ISCO Remediation Methods 486 20.4.1 Electro-Fenton Process 486 20.4.2 pH Control 487 20.4.3 Ion-Exchange Membranes 488 20.4.4 Adding Solubilizers 488 20.4.5 Electrode Activation/Electrode Thermal Activation 489 20.4.6 Nanomaterial-Enhanced Methods 490 20.5 Pilot/Field-Scale Studies of EK-ISCO Remediation Technologies 490 20.5.1 Experimental Design 490 20.5.1.1 Electrode Materials 490 20.5.1.2 Configuring Electrode Settings 491 20.5.1.3 Power Supply Modes 492 20.5.2 Pilot Cases 493 20.6 Conclusions 494 Acknowledgments 494 References 495 21 Electrokinetic and Electrochemical Removal of Chlorinated Ethenes: Application in Low- and High-Permeability Saturated Soils 503Bente H. Hyldegaard and Lisbeth M. Ottosen 21.1 Introduction 503 21.1.1 Chlorinated Ethenes 503 21.1.2 Low-Permeability Saturated Soils 506 21.1.3 High-Permeability Saturated Soils 507 21.2 Electrokinetically Enhanced Remediation in Low-Permeability Saturated Soils 508 21.2.1 Electrokinetically Enhanced Bioremediation (EK-BIO) 508 21.2.1.1 EK-Induced Delivery of Microbial Cultures and Electron Donors 509 21.2.1.2 Current State of Development from an Applied Perspective 510 21.2.2 Electrokinetically Enhanced In Situ Chemical Oxidation (EK-ISCO) 511 21.2.2.1 EK-Induced Delivery of Oxidants 512 21.2.2.2 Current State of Development from an Applied Perspective 513 21.2.3 Electrokinetically Enhanced Permeable Reactive Barriers (EK-PRB) 514 21.2.3.1 EK-Induced Mobilization of Chlorinated Ethenes 514 21.2.3.2 EK-Controlled Reactivity of the Filling Material 515 21.2.3.3 Current State of Development from an Applied Perspective 515 21.3 Electrochemical Remediation in High-Permeability Saturated Soils 516 21.3.1 Electrochemistry in Complex Environmental Settings 517 21.3.2 Electrochemical Remediation in Complex Environmental Settings 519 21.3.2.1 Electrochemically Induced Changes in Hydrogeochemistry 522 21.3.2.2 Current State of Development from an Applied Perspective 525 21.4 Summary 527 References 528 22 Chlorophenolic Compounds and Their Transformation Products by the Heterogeneous Fenton Process: A Review 541Cetin Kantar and Ozlem Oral 22.1 Introduction 541 22.2 Heterogeneous Fenton Processes 545 22.2.1 Effect of Catalyst Type and Possible Reaction Mechanisms 546 22.2.1.1 Iron Oxides 547 22.2.1.2 Pyrite 552 22.2.1.3 Zero-Valent Iron (ZVI) 553 22.2.1.4 Multimetallic Iron-Based Catalysts 555 22.2.1.5 Supported Iron-Based Catalyst Materials 560 22.3 Factors Affecting CP Removal Efficiency in Heterogeneous Fenton Processes 565 22.3.1 Effect of Catalyst Size 565 22.3.2 Effect of Catalyst Dosage 565 22.3.3 Effect of pH 566 22.3.4 Effect of Hydrogen Peroxide Dose 567 22.3.5 Effect of Organic Ligands 568 22.4 Reaction By-Products 569 22.5 Mode of Implementation, Reactor Configuration, and Biodegradability 571 22.6 Conclusions 572 References 574 23 Clays and Clay Polymer Composites for Electrokinetic Remediation of Soil 587Jayasankar Janeni and Nadeesh M. Adassooriya 23.1 Introduction 587 23.2 Electrokinetic Remediation Technique: An Overview 588 23.3 Clay Soil and Minerals 588 23.4 Clay Mineral Classifications and Structure 589 23.5 Layer Charge 590 23.6 Active Bond Sites in Clay Minerals 590 23.7 Properties of Clay Minerals 591 23.8 Clay Minerals and Their Modifications 591 23.9 Organoclays and Their Properties 591 23.10 Factors Affecting the Mechanism of Transporting Contaminants in Clay Soils 593 23.10.1 Structural Parameters 593 23.10.2 Mass Transport 593 23.10.3 Electrokinetic Potential (Zeta Potential) 595 23.10.4 Polymeric Agent Enhanced Electrokinetic Decontamination of Clay Soils 596 23.10.5 Future Perspectives 597 23.11 Summary 598 References 598 24 Enhanced Remediation and Recovery of Metal-Contaminated Soil Using Electrokinetic Soil Flushing 603Yudha Gusti Wibowo and Bimastyaji Surya Ramadan 24.1 Introduction 603 24.2 Metal Contamination in Mining Areas 604 24.3 Treatment of Metal-Contaminated Soil Using EKSF 605 24.3.1 Soil Flushing 605 24.3.2 Fundamental Equation for EK Remediation 606 24.3.3 Electrokinetic Soil Flushing (EKSF) 609 24.3.4 Flushing Fluid Enhanced EKSF Performance 610 24.3.5 Preventing pH from Acidification 617 24.3.6 Other Factors that Enhance EKSF Performance 618 24.3.7 Energy Requirements and Future Perspectives 618 24.4 Conclusion 620 References 620 25 Recent Progress on Pressure-Driven Electro-Dewatering (PED) of Contaminated Sludge 629Bimastyaji Surya Ramadan, Amelinda Dhiya Farhah, Mochtar Hadiwidodo, and Mochamad Arief Budihardjo 25.1 Introduction 629 25.2 Electro-Dewatering for Sludge Treatment 630 25.2.1 Conventional Sludge Treatment Systems 630 25.2.2 Overview of Electro-Dewatering Systems 630 25.2.3 Fundamental Equations of EDWSystems 632 25.3 Design Considerations for PED Systems 636 25.3.1 Reducing Electrical Resistance in PED Systems 638 25.3.2 Maintaining Optimum pH and Salinity 639 25.3.3 Determining Sludge Characteristics and Properties 641 25.3.4 Operating PED Under Constant Voltage or Current 641 25.3.5 Determining Appropriate Electrodes (Anodes and Cathodes) 642 25.3.6 Reducing Energy Consumption 643 25.4 Future Perspectives 644 25.5 Conclusion 647 References 647 26 Removing Ionic and Nonionic Pollutants from Soil, Sludge, and Sediment Using Ultrasound-Assisted Electrokinetic Treatment 653Bimastyaji Surya Ramadan, Marita Wulandari, Yudha Gusti Wibowo, Nurani Ikhlas, and Dimastyaji Yusron Nurseta 26.1 Introduction 653 26.2 Overview of Technologies 654 26.2.1 Ultrasonication 654 26.2.2 Electrokinetic Remediation 656 26.3 Desorption and Degradation Mechanism 659 26.3.1 Removing Contaminants by Ultrasonication 659 26.3.2 UltrasonicWave Effect 660 26.3.2.1 Cavitation 660 26.3.2.2 Thermal Effect 661 26.3.2.3 Chemical Effect 661 26.3.2.4 Biological Effect 662 26.3.3 Electrokinetic Remediation Process 662 26.3.3.1 Electrolysis 662 26.3.3.2 Electromigration and Electrophoresis 664 26.3.3.3 Electroosmosis 664 26.3.3.4 Electrooxidation/Reduction 665 26.4 Ultrasonication-Assisted Electrokinetic Remediation 666 26.4.1 Recent Progress in Ultrasonication-Assisted Electrokinetic Remediation (US-EK) 666 26.4.2 Factors Affecting Performance 666 26.4.2.1 System Parameters 666 26.4.2.2 Contaminant and Environmental Parameters 669 26.4.3 Future Directions 671 26.5 Conclusions 671 References 672 Index 679

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Book SynopsisTable of ContentsList of Contributors xvii Preface xxv Part I Global Scenario of Remediation and Combined Clean Biofuel Production 1 1 Global Remediation Industry and Trends 3Majeti Narasimha Vara Prasad, Lander de Jesus Alves and Fabio Carvalho Nunes 1.1 Introduction 3 1.1.1 Rise of Phytoremediation 4 1.1.2 The Phytoremediation Industry 5 1.1.3 The Key Players in Global Remediation and Phytoremediation 10 1.1.3.1 Markets by Sector 11 1.1.3.2 Markets by Application 11 1.1.3.3 Sizes of Market Sectors Potentially Available to Phytoremediation 11 1.2 Global 12 1.3 Mining in Latin America and Phytoremediation Possibilities 16 Acknowledgements 23 References 23 2 Sustainable Valorization of Biomass: From Assisted Phytoremediation to Green Energy Production 29Martina Grifoni, Francesca Pedron, Meri Barbafieri, Irene Rosellini, Gianniantonio Petruzzelli and Elisabetta Franchi 2.1 Introduction 29 2.2 Bioenergy: The Role of Biomass 30 2.3 Assisted Phytoremediation: Valorization of Biomass 33 2.4 Assisted Phytoremediation-Bioenergy: An Integrated Approach 37 2.5 Conclusions 43 References 44 Part II Biochar-Based Soil and Water Remediation 53 3 Biochar – Production, Properties, and Service to Environmental Protection against Toxic Metals 55Monika Gałwa-Widera 3.1 Introduction 55 3.2 How to Produce Biochar 55 3.3 Biochar Properties 57 3.4 Biochar in the Service of Environmental Protection 59 3.5 Soil Characteristics 59 3.6 Environmental Hazards Caused by Heavy Metals 60 3.7 Characteristics of Selected Heavy Metals 62 3.8 Zinc 64 3.9 Copper 64 3.10 Lead 65 3.11 Cadmium 66 3.12 Soil Pollution 67 3.13 What is Remediation and What is it for? 68 3.14 Improving Soil Properties 69 3.15 Removal of Impurities 69 3.16 The Addition of Biochar to Contaminated Soils may be Such a Solution 70 3.17 Summary 72 References 73 4 Biochar-based Water Treatment Systems for Clean Water Provision 77Dwiwahju Sasongko, David Gunawan and Antonius Indarto 4.1 Introduction 77 4.2 Synthesis of Biochar 77 4.2.1 Pyrolysis Process 77 4.2.2 Pyrolysis Technology 78 4.3 Biochar Properties 80 4.3.1 Biochar Surface Chemistry 80 4.3.2 Pyrolysis Effect on Chemical Properties of Biochar 81 4.3.3 Pyrolysis Effect on Physical Properties of Biochar 81 4.4 Mechanism of Adsorption 82 4.4.1 Heavy Metal Removal Mechanism 82 4.4.2 Organic Contaminants Removal Mechanism 82 4.4.3 Pathogenic Organism Removal Mechanism 83 4.5 Factors Affecting Adsorption of Contaminants on Biochar 84 4.5.1 Biochar Properties 84 4.5.2 Post Treatment or Modification 85 4.5.3 Solution pH 87 4.5.4 Co-existed Ions 87 4.5.5 Dosage of Adsorbents 87 4.5.6 Temperature 87 4.5.7 Contact Time 87 4.5.8 Initial Concentration of Pollutants 88 4.6 Biochar-Based Water Treatment Systems 88 4.6.1 Biochar Supply 88 4.6.2 Biochar Use 89 4.6.3 Regeneration 90 4.6.3.1 Thermal Regeneration 90 4.6.3.2 Solvent Regeneration 93 4.6.3.3 Microwave Irradiation Regeneration 94 4.6.4 Supercritical Fluid Regeneration 94 4.6.5 Sustainability of Biochar Utilization 95 References 95 5 Biochar for Wastewater Treatment 103Anna Kwarciak-Kozłowska and Renata Włodarczyk 5.1 Biochar Production and Its Characteristics 103 5.2 Modification of Biochar 105 5.3 Comparison of Biochar with Activated Carbon 105 5.4 Biochar Adsorption Mechanism 106 5.5 Adsorption Kinetics of Aqueous-Phase Organic Compounds 108 5.6 Influence of pH, Temperature, and Biochar Dose on the Adsorption Process 108 5.7 Biochar Technology in Wastewater Treatment 110 5.8 Summary 112 Acknowledgment 112 References 112 6 Biochar for Bioremediation of Toxic Metals 119Renata Włodarczyk and Anna Kwarciak-Kozłowska 6.1 The Idea of Using Biochar with the Assumption of Closed Circulation 119 6.2 The Role of Biochar in Soil - General Information 120 6.3 Biochar as a Sorbent – Physical and Structural Composition 121 6.4 The Role of Biochar in Removing Heavy Metals from Soil 123 6.5 Utilization of Selected Heavy Metals from Soil 123 6.6 Mechanism of Heavy Metals-Biochar 124 6.7 Summary 126 Acknowledgment 126 References 127 7 Biochar Assisted Remediation of Toxic Metals and Metalloids 131Shalini Dhiman, Mohd Ibrahim, Kamini Devi, Neerja Sharma, Nitika Kapoor, Ravinderjit Kaur, Nandni Sharma, Raman Tikoria, Puja Ohri, Bilal Ahmad Mir and Renu Bhardwaj 7.1 Introduction 131 7.2 Biochar and its Remarkable Physical Chemical and Biological Properties 132 7.2.1 Physical Properties of Biochar 132 7.2.1.1 Density and Porosity 132 7.2.1.2 Surface Area of Biochar 132 7.2.1.3 Pore Volume and Pore Size Distribution 132 7.2.1.4 Water Holding Capacity and Hydrophobicity 132 7.2.1.5 Mechanical Stability 133 7.2.2 Chemical Properties 133 7.2.2.1 Atomic Ratios 133 7.2.2.2 Elemental Composition 133 7.2.2.3 Energy Content 133 7.2.2.4 Fixed Carbon and Volatile Matter 134 7.2.2.5 Presence of Functional Groups 134 7.2.2.6 pH of Biochar 134 7.2.2.7 Cation Exchange Capacity 134 7.2.3 Biological Properties of Biochar 134 7.2.3.1 Biochar as a Habitat for Soil Microorganisms 134 7.2.3.2 Biochar as a Substrate for the Soil Biota 135 7.3 Heavy Metal Pollutants 135 7.4 Interactions between Biochar and Heavy Metal 136 7.4.1 Types of Interactions Occurs between Biochar and Heavy Metals 136 7.4.1.1 Direct Interaction 136 7.4.1.2 Electrostatic Attractions 136 7.4.1.3 Ion Exchange 137 7.4.1.4 Complexation 137 7.4.1.5 Precipitation 137 7.4.1.6 Sorption 137 7.4.1.7 Indirect Interactions 137 7.4.1.8 Biochar Metal Interactions 138 7.5 Biochar as a Bioremediator 138 7.5.1 Bioremediation of Heavy Metals Pollutant by the Use of Microorganism and Biochar 139 7.5.2 Bioremediation of Heavy Metal Pollutants by the Use of Plants and Biochar 140 7.5.3 Bioremediation of Heavy Metals Pollutant through the Combination of Biochar, Plant, and Microorganism 143 7.6 Application of Biochar in Bioremediation of Mining Area 143 7.6.1 Application of Biochar in Bioremediation of Acid Mine Wastes 146 7.6.2 Alkaline Tailing Soils 148 7.7 Limitation of Biochar Amended Bioremediation 148 7.7.1 Phytoextraction of Arsenic 149 7.7.2 Phytoremediation of Sewage Sludge 150 7.8 Conclusion 150 References 150 8 Use of Biochar as an Amendment for Remediation of Heavy Metal-Contaminated Soils 163Subodh Kumar Maiti and Dipita Ghosh 8.1 Introduction 163 8.2 Biochar Production Conditions 164 8.3 Modification to Improve Remediation Potential of Biochar 165 8.4 Mechanism of Metal Immobilization by Biochar 169 8.4.1 Direct Biochar–Heavy Metal Interaction 170 8.4.1.1 Electrostatic Attraction 170 8.4.1.2 Ion Exchange 170 8.4.1.3 Complexation 170 8.4.1.4 Precipitation 170 8.4.2 Indirect Biochar–Heavy Metals–Soils Interactions 171 8.4.2.1 Impact on Soil pH, CEC, and Organic Carbon Content, thus Metal Mobility 171 8.4.2.2 Impacts on Soil Mineral Composition and Metal Mobility by Biochar Application 171 8.5 Immobilization of Heavy Metals by Biochar 171 8.6 Application of Biochar for Immobilization of Heavy Metals and Enhancement of Plant Growth 172 8.7 Conclusions 173 References 173 9 Biochars for Remediation of Recalcitrant Soils to Enhance Agronomic Performance 179Anna Grobelak and Marta Jaskulak 9.1 Introduction 179 9.2 Biochar Properties 179 9.2.1 Production 179 9.2.2 Properties 180 9.3 Application and Impact of Biochar on Soils 183 9.3.1 Biochar in Soil Carbon Sequestration 184 9.3.2 Influence on Soil Physical and Chemical Properties 184 9.3.3 Influence on Microbial Activity and Soil Biota 186 9.4 Conclusions 186 Acknowledgment 186 References 187 10 Biochar Amendment Improves Crop Production in Problematic Soils 189Bhupinder Dhir 10.1 Introduction 189 10.2 Roles of Biochar in Soil Improvement 189 10.2.1 Physical Characteristics 190 10.2.2 Chemical Properties 190 10.2.3 Biological Indices 191 10.3 Other Roles of Biochar 192 10.4 Agricultural Productivity in Biochar Amended Soil 192 10.4.1 Advantages of Using Biochar as a Soil Supplement 195 10.5 Reclamation of Degraded Soils Using Biochar 196 10.6 Conclusions 197 References 198 Part III Organic Amendments Use in Remediation 205 11 Use of Organic Amendments in Phytoremediation of Metal-Contaminated Soils: Prospects and Challenges 207Galina Koptsik, Graeme Spiers, Sergey Koptsik and Peter Beckett 11.1 Agricultural Organic Waste 209 11.2 Forestry By-Products 209 11.3 Composts 212 11.4 Sewage Sludge/Biosolids 217 11.5 Humic Substances 220 11.6 Biochar 222 11.7 Constructed Organic-Derived Soils 223 11.8 Directions for Future Research 224 Acknowledgments 226 References 226 12 Rice Husk and Wood Derived Charcoal for Remediation of Metal Contaminated Soil 235Boda Ravi Kiran and Majeti Narasimha Vara Prasad 12.1 Introduction 235 12.2 Heavy Metal Contamination in Soils 235 12.3 Rice Husk Ash (RHA) – Production, Characteristics, and Application 236 12.3.1 Utilization of Rice Husk Ash as Soil Amendment and Metal Removal 237 12.4 Charcoal – Production and Applications 239 12.4.1 Charcoal as Amendment and Metal Removal 245 12.5 Conclusion 256 References 256 13 Enhanced Composting Using Woody Biomass and Its Application in Wasteland Reclamation 267Zeba Usmani, Tiit Lukk, Eve-Ly Ojangu, Hegne Pupart, Kairit Zovo and Majeti Narasimha Vara Prasad 13.1 Introduction 267 13.2 Composting Process 270 13.3 Types of Composting 271 13.4 Woody Biomass Waste as Co-composting Material 271 13.4.1 Usage of Woody Biochar in Composting 272 13.4.2 Woody Biochar-Microbial Consortia 272 13.4.3 Usage of Wood Ash in Composting 274 13.4.4 Usage of Wood Derived Materials in Composting 274 13.5 Advantages and Disadvantages of Composting Woody Biomass 275 13.6 Application of Woody Biomass Compost in Restoration of Wastelands 276 13.7 Conclusion 277 Acknowledgment 277 References 277 14 Sewage Sludge as Soil Conditioner and Fertilizer 283Krzysztof Fijałkowski and Anna Kwarciak-Kozłowska 14.1 Introduction 283 14.2 Sewage Sludge from Wastewater Treatment Plants 283 14.2.1 Soil Remediation Practices 284 14.2.2 Sewage Sludge in the Remediation of Degraded Soils 286 14.2.2.1 Sewage Sludge as a Source of NPK 286 14.2.3 Substrates Produced or Based on Sewage Sludge–Biosolids 287 14.2.4 Biosolids as Fertility Restorer and Conditioner 287 14.2.5 Impact of Sewage Sludge and Biosolids on Soil Microorganisms 290 14.2.6 Sewage Sludge Amendments in Relation to CO2 Sequestration 292 14.2.7 Conclusion 292 References 292 15 Sustainable Soil Remediation Using Organic Amendments 299Marta Jaskulak and Anna Grobelak 15.1 Introduction 299 15.2 Organic Amendments for Soil Remediation 300 15.2.1 Composts 300 15.2.2 Animal Manures and Biosolids 300 15.3 Impact of Organic Amendments on Soils 303 15.3.1 Influence on Soil Physical Properties 303 15.3.2 Influence on Microbial Activities and Soil Biota 305 15.3.3 Influence of the Content of Nitrogen and Phosphorus 306 15.4 Potential Risks of the Use of Organic Amendments 307 15.5 Conclusions 308 References 309 Part IV Advanced Technologies for Remediation of Inorganics and Organics 313 16 Biosurfactant-Assisted Bioremediation of Crude Oil/Petroleum Hydrocarbon Contaminated Soil 315Jeevanandam Vaishnavi, Punniyakotti Parthipan, Arumugam Arul Prakash, Kuppusamy Sathishkumar and Aruliah Rajasekar 16.1 Introduction 315 16.2 Surfactants and Biosurfactants 316 16.3 Microbial Surfactants 316 16.4 Types of Biosurfactants 318 16.4.1 Glycolipid Biosurfactants 318 16.4.1.1 Rhamnolipids 318 16.4.1.2 Trehalose 318 16.4.1.3 Sophorolipid 318 16.4.2 Phospholipids Biosurfactant 319 16.4.3 Lipopeptides and Lipoproteins 319 16.4.4 Fatty Acid 320 16.4.5 Polymeric and Particulate Biosurfactant 320 16.5 Optimization of Biosurfactants 320 16.6 Biosurfactant in Bioremediation 320 16.6.1 Glycolipids Mediated Crude Oil Remediation 321 16.6.2 Lipopeptide Mediated Crude Oil/Hydrocarbons Degradation 323 16.6.3 Bioemulsifiers Mediated Crude Oil/Hydrocarbons Degradation 323 16.7 Challenges and Future Prospectives 324 16.8 Conclusion 324 References 324 17 Advanced Technologies for the Remediation of Pesticide-Contaminated Soils 331Palak Bakshi, Arun Dev Singh, Jaspreet Kour, Sadaf Jan, Mohd Ibrahim, Bilal Ahmad Mir and Renu Bhardwaj 17.1 Introduction 331 17.2 Consumption and Need for Removal 332 17.2.1 Worldwide Consumption of Pesticide 333 17.2.2 Production and Usage of Pesticide in India 333 17.2.3 Need for Removal 333 17.3 Remediation Technologies for Pesticidal Contamination 335 17.3.1 Physico–Chemical Remediation 335 17.3.1.1 Adsorption 335 17.3.1.2 Oxidation–Reduction 336 17.3.1.3 Catalytic Degradation 338 17.3.1.4 Nano Technology 338 17.3.2 Biological Remediation 340 17.3.2.1 Role of Plants 340 17.3.2.2 Role of Microflora 341 17.4 Conclusion 342 References 344 18 Enzymes Assistance in Remediation of Contaminants and Pollutants 355Majeti Narasimha Vara Prasad 18.1 Introduction 355 18.2 Cyanide Degradation 356 18.3 Rhizosphere 360 18.3.1 Degradation of Petroleum Hydrocarbons 360 18.3.2 Degradation of Pesticides 361 Acknowledgments 383 References 383 19 Thiol Assisted Metal Tolerance in Plants 389Pooja Sharma, Palak Bakshi, Dhriti Kapoor, Priya Arora, Jaspreet Kour, Rupinder Kaur, Ashutosh Sharma, Bilal Ahmad Mir and Renu Bhardwaj 19.1 Introduction 389 19.2 Sulfur Metabolism in Plants 390 19.3 Thiols Induced Metal Tolerance in Plants 390 19.3.1 Role of Metal Transporters 391 19.3.2 Role of Thioredoxins and Glutaredoxins 392 19.3.3 Role of Metallothioneins 392 19.3.4 Role of Phytochelatins in Heavy Metal Stress Mitigation 392 19.3.4.1 Heavy Metal Detoxification Mechanism 393 19.3.5 Role of Glutathione in Heavy Metal Stress Mitigation 394 19.4 Conclusion 396 References 397 20 Biological Remediation of Selenium in Soil and Water 403Siddhartha Narayan Borah, Suparna Sen, Hemen Sarma and Kannan Pakshirajan 20.1 Introduction 403 20.2 Sources of Selenium 403 20.2.1 Soil 404 20.2.2 Water 404 20.2.3 Air 404 20.3 Significance in Human Health 405 20.4 Biological Remediation Processes 407 20.4.1 Phytoremediation 407 20.4.1.1 Phytoextraction 407 20.4.1.2 Phytovolatilization 408 20.4.1.3 Rhizofiltration 408 20.4.2 Bioremediation 409 20.4.2.1 Planktonic Cells of Axenic Bacterial Culture 409 20.4.2.2 Biofilm of Axenic Bacterial Culture 410 20.4.2.3 Microbial Consortia 410 20.4.3 Bioamendment with Chelating Agents and Organic Matter 411 20.4.4 Biosorption 412 20.5 Conclusion 412 References 413 Part V Microbe and Plant Assisted Remediation of Inorganics and Organics 423 21 Phosphate Solubilizing Bacteria for Soil Sustainability 425Raffia Siddique, Alvina Gul, Munir Ozturk and Volkan Altay 21.1 Introduction 425 21.2 Biofertilizer 426 21.2.1 PSM Requirement in Plants 426 21.2.2 Phosphate Solubilizing Microorganisms (PSM) 426 21.2.3 Application of PSB Inoculants 427 21.3 Mechanism of P Solubilization 427 21.3.1 Lowering of Soil pH 427 21.3.2 Chelation 428 21.3.3 Mineralization 429 21.4 PSB Help Plant Growth 429 21.5 Phosphate Solubilizing Bacteria (PSB) 430 21.5.1 Mechanism of Action of PSB 431 21.6 Soil Sustainability with PSB 431 References 432 22 Microbe and Plant-Assisted Remediation of Organic Xenobiotics 437A.P. Pinto, M.E. Lopes, A. Dordio and J.E.F. Castanheiro 22.1 Introduction 437 22.2 Impact of PAHs on Environment 439 22.3 PAHs in Soil and Sediments 441 22.4 Molecular Weight and Aqueous Solubility 442 22.5 Plant Assisted Remediation of PAHs 443 22.5.1 Phytoremediation 445 22.5.1.1 Phytoextraction 447 22.5.1.2 Phytostabilization 448 22.5.1.3 Phytovolatilization 448 22.5.1.4 Phytodegradation 448 22.5.1.5 Rhizodegradation 449 22.6 Plant and Microbe Assisted Remediation – Synergistic Approaches 449 22.7 Plant–Endophyte Partnership in Phytoremediation 452 22.7.1 Endophyte Colonization and Survival 453 22.7.2 Beneficial Mutualistic Interactions Between Endophytes and Their Hosts 454 22.7.2.1 Nutrient Bioavailability 457 22.7.2.2 Modulation and Synthesis of Phytohormones 458 22.7.2.3 Defense Mechanisms against Phytopathogens 459 22.7.3 Biosurfactants and Their Roles in Phytoremediation 459 22.8 Conclusions 461 References 461 23 Plant Growth-Promoting Rhizobacteria (PGPR) Assisted Phytoremediation of Inorganic and Organic Contaminants Including Amelioration of Perturbed Marginal Soils 477Elisabetta Franchi and Danilo Fusini 23.1 Introduction 477 23.2 Plant Growth-Promoting Rhizobacteria (PGPR): Features and Mechanisms 478 23.2.1 Auxins, Cytokinins, Gibberellins 479 23.2.2 Siderophores 480 23.2.3 ACC Deaminase 480 23.2.4 Phosphate Solubilization 481 23.2.5 Nitrogen Fixation 482 23.2.6 Indirect Mechanisms 482 23.3 Influence of PGPR on Heavy Metals and Hydrocarbons Remediation 482 23.4 Plant Growth-Promoting Rhizobacteria to Face Salinity and Drought in Marginal Soils 486 23.4.1 Survival to Abiotic Stress 486 23.4.2 Affecting the Drought Pressure 487 23.4.3 Improving the Salinity Tolerance 488 23.4.4 Phytodepuration for Water Reclamation 489 23.5 Conclusions 491 References 491 24 Plant and Microbe Association for Degradation of Xenobiotics Focusing Transgenic Plants 501Pooja Sharma, Palak Bakshi, Kanika Khanna, Jaspreet Kour, Dhriti Kapoor, Arun Dev Singh, Tamanna Bhardwaj, Rupinder Kaur, Ashutosh Sharma and Renu Bhardwaj 24.1 Introduction 501 24.2 Xenobiotics in the Environment 502 24.3 Mechanism of Degradation of Xenobiotics 502 24.4 Plant and Microbe Association for Degradation of Xenobiotics 504 24.5 Transgenic Plants and Microbes for the Remediation of Xenobiotics 506 24.6 Conclusion 509 References 509 25 Azolla Farming for Sustainable Environmental Remediation 517Abin Sebastian, Palengara Deepa and Majeti Narasimha Vara Prasad 25.1 Introduction 517 25.2 Diversity and Ecological Distribution 519 25.3 Growth Conditions for Optimal Biomass Productivity 521 25.4 Phytoremediation of Water Bodies 523 25.5 Prospects in Sustainable Remediation and Bioeconomy 525 25.6 Outlook 529 References 529 26 Mangrove Assisted Remediation and Ecosystem Services 535Janaina dos Santos Garcia, Sershen and Marcel Giovanni Costa Franca 26.1 Mangrove Ecosystems 535 26.2 Mangrove Plants 535 26.3 Factors Responsible for Mangrove Degradation and Destruction 536 26.4 Ecosystem Services of Mangroves 537 26.4.1 Mangrove as a Sink of Pollutants 538 26.4.1.1 Heavy Metals 539 26.4.1.2 Heavy Metal Indices 540 26.4.1.3 Association with Other Elements 542 26.4.1.4 Organic Compounds 544 26.4.1.5 Waste Water 545 26.4.1.6 Microorganism Association and Isolation 547 26.5 Methodologies to Use Mangroves for Remediation 550 26.6 Final Comments 550 References 552 Part VI Nanoscience in Remediation 557 27 Nanotechnology Assisted Remediation of Polluted Soils 559H.A.D.B. Amarasiri and Nadeesh M. Adassooriya 27.1 Soil as Soil of Life 559 27.2 Soil Pollution 561 27.3 Impact of Soil Pollution 561 27.4 Nanopollution 562 27.5 Soil Remediation 563 27.5.1 Conventional Soil Remediation Techniques and Methods 563 27.5.1.1 Bioremediation 563 27.5.1.2 Thermal Desorption 564 27.5.1.3 Surfactant Enhanced Aquifer Remediation 565 27.5.1.4 Pump and Treat 565 27.5.1.5 In-Situ Oxidation 566 27.5.2 Nanotechnology Based Soil Remediation Methods 566 27.5.2.1 Nanomaterials 566 27.5.2.2 Nano-Bioremediation 567 27.5.2.3 Bioremediation with Biogenic Uraninite NPs 567 27.5.2.4 Bioremediation with Engineered Polymeric NPs 567 27.5.2.5 Bioremediation with Single Enzyme NPs 568 27.5.2.6 Zeolites in Soil Remediation with Nanotechnology 568 27.5.2.7 Soil Remediation with Iron Oxide NPs 569 27.5.2.8 Soil Remediation with Nano Scale Zero Valent Iron (nZVI) 570 27.5.2.9 Remediation with Other Metal-based NPs 570 27.5.2.10 Remediation with Phosphate-based NPs 571 27.5.2.11 Soil Remediation with Iron Sulfide NPs 571 27.5.2.12 Carbon Nanotubes (CNT) in Soil Remediation 571 27.5.2.13 Nanoclay in Soil Remediation 572 27.6 Future Scope of Nanotechnology in Soil Remediation 573 References 573 28 Remediation of Wastewater Using Plant Based Nano Materials 583Wangjam Kabita Devi, Maibam Dhanaraj Meitei and Majeti Narasimha Vara Prasad 28.1 Introduction 583 28.2 Materials and Methods 586 28.2.1 Materials 586 28.2.2 Preparation of Extract 587 28.2.3 Synthesis of AgNPs 587 28.2.4 Characterization of Synthesized AgNPs 587 28.2.5 Catalytic Activity of Synthesized AgNPs 587 28.3 Results and Discussion 588 28.3.1 Energy Dispersive X-Ray (EDX) and X-Ray Diffraction (XRD) Analysis 590 28.3.2 Transmission Electron Microscopy 591 28.3.3 Fourier Transform Infra-Red Spectroscopy 591 28.3.4 Catalytic Property of AgNPs 593 28.4 Conclusion 595 Acknowledgments 596 References 596 Index 601

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Book SynopsisTable of ContentsList of Contributors xii Preface xvii 1 Introduction to Biosurfactants 1José Vázquez Tato, Julio A. Seijas, M. Pilar Vázquez-Tato, Francisco Meijide,Santiago de Frutos, Aida Jover, Francisco Fraga, and Victor H. Soto 1.1 Introduction and Historical Perspective 1 1.2 Micelle Formation 5 1.3 Average Aggregation Numbers 14 1.4 Packing Properties of Amphiphiles 18 1.5 Biosurfactants 20 1.6 Sophorolipids 25 1.7 Surfactin 28 1.8 Final Comments 31 Acknowledgement 32 References 32 2 Metagenomics Approach for Selection of Biosurfactant Producing Bacteria from Oil Contaminated Soil: An Insight Into Its Technology 43Nazim F. Islam and Hemen Sarma 2.1 Introduction 43 2.2 Metagenomics Application: A State-of-the-Art Technique 44 2.3 Hydrocarbon-Degrading Bacteria and Genes 46 2.4 Metagenomic Approaches in the Selection of Biosurfactant-Producing Microbes 47 2.5 Metagenomics with Stable Isotope Probe (SIP) Techniques 48 2.6 Screening Methods to Identify Features of Biosurfactants 50 2.7 Functional Metagenomics: Challenge and Opportunities 52 2.8 Conclusion 53 Acknowledgements 54 References 54 3 Biosurfactant Production Using Bioreactors from Industrial Byproducts 59Arun Karnwal 3.1 Introduction 59 3.2 Significance of the Production of Biosurfactants from Industrial Products 60 3.3 Factors Affect Biosurfactant Production in Bioreactor 61 3.4 Microorganisms 61 3.5 Bacterial Growth Conditions 63 3.6 Substrate for Biosurfactant Production 65 3.7 Conclusions 71 Acknowledgement 71 References 72 4 Biosurfactants for Heavy Metal Remediation and Bioeconomics 79Shalini Srivastava, Monoj Kumar Mondal, and Shashi Bhushan Agrawal 4.1 Introduction 80 4.2 Concept of Surfactant and Biosurfactant for Heavy Metal Remediation 81 4.3 Mechanisms of Biosurfactant–Metal Interactions 82 4.4 Substrates Used for Biosurfactant Production 82 4.5 Classification of Biosurfactants 85 4.6 Types of Biosurfactants 85 4.7 Factors Influencing Biosurfactants Production 88 4.8 Strategies for Commercial Biosurfactant Production 89 4.9 Application of Biosurfactant for Heavy Metal Remediation 90 4.10 Bioeconomics of Metal Remediation Using Biosurfactants 93 4.11 Conclusion 94 References 94 5 Application of Biosurfactants for Microbial Enhanced Oil Recovery (MEOR) 99Jéssica Correia, Lígia R. Rodrigues, José A. Teixeira, and Eduardo J. Gudiña 5.1 Energy Demand and Fossil Fuels 99 5.2 Microbial Enhanced Oil Recovery (MEOR) 101 5.3 Mechanisms of Surfactant Flooding 102 5.4 Biosurfactants: An Alternative to Chemical Surfactants to Increase Oil Recovery 103 5.5 Biosurfactant MEOR: Laboratory Studies 104 5.6 Field Assays 112 5.7 Current State of Knowledge, Technological Advances, and Future Perspectives 113 Acknowledgements 114 References 114 6 Biosurfactant Enhanced Sustainable Remediation of Petroleum Contaminated Soil 119Pooja Singh, Selvan Ravindran, and Yogesh Patil 6.1 Introduction 119 6.2 Microbial-Assisted Bioremediation of Petroleum Contaminated Soil 121 6.3 Hydrocarbon Degradation and Biosurfactants 122 6.4 Soil Washing Using Biosurfactants 124 6.5 Combination Strategies for Efficient Bioremediation 126 6.6 Biosurfactant Mediated Field Trials 129 6.7 Limitations, Strategies, and Considerations of Biosurfactant-Mediated Petroleum Hydrocarbon Degradation 130 6.8 Conclusion 132 References 133 7 Microbial Surfactants are Next-Generation Biomolecules for Sustainable Remediation of Polyaromatic Hydrocarbons 139Punniyakotti Parthipan, Liang Cheng, Aruliah Rajasekar, and Subramania Angaiah 7.1 Introduction 139 7.2 Biosurfactant-Enhanced Bioremediation of PAHs 144 7.3 Microorganism’s Adaptations to Enhance Bioavailability 151 7.4 Influences of Micellization on Hydrocarbons Access 151 7.5 Accession of PAHs in Soil Texture 152 7.6 The Negative Impact of Surfactant on PAH Degradations 152 7.7 Conclusion and Future Directions 153 References 153 8 Biosurfactants for Enhanced Bioavailability of Micronutrients in Soil: A Sustainable Approach 159Siddhartha Narayan Borah, Suparna Sen, and Kannan Pakshirajan 8.1 Introduction 159 8.2 Micronutrient Deficiency in Soil 161 8.3 Factors Affecting the Bioavailability of Micronutrients 161 8.4 Effect of Micronutrient Deficiency on the Biota 163 8.5 The Role of Surfactants in the Facilitation of Micronutrient Biosorption 166 8.6 Surfactants 166 8.7 Conclusion 173 References 174 9 Biosurfactants: Production and Role in Synthesis of Nanoparticles for Environmental Applications 183Ashwini N. Rane, S.J. Geetha, and Sanket J. Joshi 9.1 Nanoparticles 183 9.2 Synthesis of Nanoparticles 184 9.3 Biosurfactants 187 9.4 Biosurfactant Mediated Nanoparticles Synthesis 191 9.5 Challenges in Environmental Applications of Nanoparticles and Future Perspectives 196 Acknowledgements 197 References 197 10 Green Surfactants: Production, Properties, and Application in Advanced Medical Technologies 207Ana María Marqués, Lourdes Pérez, Maribel Farfán, and Aurora Pinazo 10.1 Environmental Pollution and World Health 207 10.2 Amino Acid-Derived Surfactants 208 10.3 Biosurfactants 213 10.4 Antimicrobial Resistance 219 10.5 Catanionic Vesicles 223 10.6 Biosurfactant Functionalization: A Strategy to Develop Active Antimicrobial Compounds 234 10.7 Conclusions 235 References 235 11 Antiviral, Antimicrobial, and Antibiofilm Properties of Biosurfactants: Sustainable Use in Food and Pharmaceuticals 245Kenia Barrantes, Juan José Araya, Luz Chacón, Rolando Procupez-Schtirbu, Fernanda Lugo, Gabriel Ibarra, and Víctor H. Soto 11.1 Introduction 245 11.2 Antimicrobial Properties 246 11.3 Biofilms 252 11.4 Antiviral Properties 255 11.5 Therapeutic and Pharmaceutical Applications of Biosurfactants 256 11.6 Biosurfactants in the Food Industry: Quality of the Food 258 11.7 Conclusions 260 Acknowledgements 261 References 261 12 Biosurfactant-Based Antibiofilm Nano Materials 269Sonam Gupta 12.1 Introduction 269 12.2 Emerging Biofilm Infections 270 12.3 Challenges and Recent Advancement in Antibiofilm Agent Development 272 12.4 Impact of Extracellular Matrix and Their Virulence Attributes 273 12.5 Role of Indwelling Devices in Emerging Drug Resistance 274 12.6 Role of Physiological Factors (Growth Rate, Biofilm Age, Starvation) 274 12.7 Impact of Efflux Pump in Antibiotic Resistance Development 275 12.8 Nanotechnology-Based Approaches to Combat Biofilm 276 12.9 Biosurfactants: A Promising Candidate to Synthesize Nanomedicines 277 12.10 Synthesis of Nanomaterials 278 12.11 Self-Nanoemulsifying Drug Delivery Systems (SNEDDs) 282 12.12 Biosurfactant-Based Antibiofilm Nanomaterials 283 12.13 Conclusions and Future Prospects 283 Acknowledgement 285 References 285 13 Biosurfactants from Bacteria and Fungi: Perspectives on Advanced Biomedical Applications 293Rashmi Rekha Saikia, Suresh Deka, and Hemen Sarma 13.1 Introduction 293 13.2 Biomedical Applications of Biosurfactants: Recent Developments 295 13.3 Conclusion 307 Acknowledgements 307 References 307 14 Biosurfactant-Inspired Control of Methicillin-Resistant Staphylococcus aureus (MRSA) 317Amy R. Nava 14.1 Staphylococcus aureus, MRSA, and Multidrug Resistance 317 14.2 Biosurfactant Types Commonly Utilized Against S. aureus and Other Pathogens 318 14.3 Properties of Efficient Biosurfactants Against MRSA and Bacterial Pathogens 319 14.4 Uses for Biosurfactants 320 14.5 Biosurfactants Illustrating Antiadhesive Properties against MRSA Biofilms 320 14.6 Biosurfactants with Antibiofilm and Antimicrobial Properties 322 14.7 Media, Microbial Source, and Culture Conditions for Antibiofilm and Antimicrobial Properties 323 14.8 Novel Synergistic Antimicrobial and Antibiofilm Strategies Against MRSA and S. aureus 326 14.9 Novel Potential Mechanisms of Antimicrobial and Antibiofilm Properties 328 14.10 Conclusion 330 References 332 15 Exploiting the Significance of Biosurfactant for the Treatment of Multidrug-Resistant Pathogenic Infections 339Sonam Gupta and Vikas Pruthi 15.1 Introduction 339 15.2 Microbial Pathogenesis and Biosurfactants 340 15.3 Bio-Removal of Antibiotics Using Probiotics and Biosurfactants Bacteria 342 15.4 Antiproliferative, Antioxidant, and Antibiofilm Potential of Biosurfactant 343 15.5 Wound Healing Potential of Biosurfactants 344 15.6 Conclusion and Future Prospects 345 References 346 16 Biosurfactants Against Drug-Resistant Human and Plant Pathogens: Recent Advances 353Chandana Malakar and Suresh Deka 16.1 Introduction 353 16.2 Environmental Impact of Antibiotics 354 16.3 Pathogenicity of Antibiotic-Resistant Microbes on Human and Plant Health 356 16.4 Role of Biosurfactants in Combating Antibiotic Resistance: Challenges and Prospects 360 16.5 Conclusion 364 Acknowledgements 365 References 365 17 Surfactant- and Biosurfactant-Based Therapeutics: Structure, Properties, and Recent Developments in Drug Delivery and Therapeutic Applications 373Anand K. Kondapi 17.1 Introduction 374 17.2 Determinants and Forms of Surfactants 374 17.3 Structural Forms of Surfactants 377 17.4 Drug Delivery Systems 381 17.5 Different Types of Biosurfactants Used for Drug Delivery 384 17.6 Conclusions 391 References 392 18 The Potential Use of Biosurfactants in Cosmetics and Dermatological Products: Current Trends and Future Prospects 397Zarith Asyikin Abdul Aziz, Siti Hamidah Mohd Setapar, Asma Khatoon, and Akil Ahmad 18.1 Introduction 397 18.2 Properties of Biosurfactants 399 18.3 Biosurfactant Classifications and Potential Use in Cosmetic Applications 401 18.4 Dermatological Approach of Biosurfactants 406 18.5 Cosmetic Formulation with Biosurfactant 409 18.6 Safety Measurement Taken for Biosurfactant Applications in Dermatology and Cosmetics 412 18.7 Conclusion and Future Perspective 415 Acknowledgement 415 References 415 19 Cosmeceutical Applications of Biosurfactants: Challenges and Prospects 423Káren Gercyane Oliveira Bezerra and Leonie Asfora Sarubbo 19.1 Introduction 423 19.2 Cosmeceutical Properties of Biosurfactants 424 19.3 Other Activities 429 19.4 Application Prospects 432 19.5 Biosurfactants in the Market 433 19.6 Challenges and Conclusion 434 References 436 20 Biotechnologically Derived Bioactive Molecules for Skin and Hair-Care Application 443Suparna Sen, Siddhartha Narayan Borah, and Suresh Deka 20.1 Introduction 443 20.2 Surfactants in Cosmetic Formulation 445 20.3 Biosurfactants in Cosmetic Formulations 445 20.4 Conclusion 457 References 457 21 Biosurfactants as Biocontrol Agents Against Mycotoxigenic Fungi 465Ana I. Rodrigues, Eduardo J. Gudiña, José A. Teixeira, and Lígia R. Rodrigues 21.1 Mycotoxins 465 21.2 Aflatoxins 466 21.3 Deoxynivalenol 467 21.4 Fumonisins 468 21.5 Ochratoxin A 468 21.6 Patulin 470 21.7 Zearalenone 470 21.8 Prevention and Control of Mycotoxins 471 21.9 Biosurfactants 472 21.10 Glycolipids 473 21.11 Lipopeptides 474 21.12 Antifungal Activity of Glycolipid Biosurfactants 474 21.13 Antifungal and Antimycotoxigenic Activity of Lipopeptide Biosurfactants 475 21.14 Opportunities and Perspectives 482 Acknowledgements 483 References 483 22 Biosurfactant-Mediated Biocontrol of Pathogenic Microbes of Crop Plants 491Madhurankhi Goswami and Suresh Deka 22.1 Introduction 491 22.2 Biosurfactant: Properties and Types 492 22.3 Biosurfactant in Agrochemical Formulations for Sustainable Agriculture 502 22.4 Biosurfactants for a Greener and Safer Environment 503 22.5 Conclusion 503 References 504 Index 510

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Book SynopsisExplore the latest research in biopharmaceutics from leading contributors in the field In Biopharmaceutics - From Fundamentals to Industrial Practice,distinguished Scientists from the UK''s Academy of Pharmaceutical Sciences Biopharmaceutica Focus Group deliver a comprehensiveexamination of the tools used within the field of biopharmaceuticsand their applications to drug development. This edited volume is an indispensable tool foranyone seeking to better understand the field of biopharmaceutics as it rapidly developsand evolves. Beginning with an expansive introduction to the basics of biopharmaceutics and the context that underpins the field, theincluded resources go on to discuss how biopharmaceutics are integrated into product development within the pharmaceutical industry. Explorations of howtheregulatoryaspects of biopharmaceutics function, as well as the impact of physiology and anatomy on the rate and extent of drug absorption, follow. ReadeTable of Contents List of Contributors xv Foreword xvii 1 An Introduction to Biopharmaceutics 1 Hannah Batchelor 1.1 Introduction 1 1.2 History of Biopharmaceutics 1 1.3 Key Concepts and Definitions Used Within Biopharmaceutics 3 1.4 The Role of Biopharmaceutics in Drug Development 6 1.5 Conclusions 8 References 8 2 Basic Pharmacokinetics 9 Hamid A. Merchant 2.1 Introduction 9 2.2 What is ‘Pharmacokinetics’? 9 2.3 Pharmacokinetic Profile 10 2.4 Bioavailability 12 2.5 Drug Distribution 14 2.6 Volume of Distribution 15 2.7 Elimination 17 2.7.1 Metabolism 17 2.7.2 Excretion 17 2.8 Elimination Half- Life (t ½) 19 2.9 Elimination Rate Constant 19 2.9.1 Clearance 21 2.10 Area Under the Curve (AUC) 22 2.11 Bioequivalence 22 2.12 Steady State 23 2.13 Compartmental Concepts in Pharmacokinetics 25 2.14 Concept of Linearity in Pharmacokinetics 27 2.15 Conclusions 28 Further Reading 29 3 Introduction to Biopharmaceutics Measures 31 Hannah Batchelor and Pavel Gershkovich 3.1 Introduction 31 3.2 Solubility 31 3.3 Dissolution 33 3.4 Permeability 34 3.5 Absorptive Flux 35 3.6 Lipinsky’s Rule of 5 36 3.6.1 Molecular Weight 36 3.6.2 Lipophilicity 36 3.6.3 Hydrogen Bond Donors/Acceptors 37 References 37 4 Solubility 39 Hannah Batchelor 4.1 Definition of Solubility 39 4.2 The Importance of Solubility in Biopharmaceutics 39 4.3 What Level of Solubility Is Required? 40 4.4 Solubility- Limited Absorption 41 4.5 Methods to Assess Solubility 41 4.6 Brief Overview of Forces Involved in Solubility 42 4.6.1 van der Waals Interactions 42 4.6.2 Hydrogen Bonding 42 4.6.3 Ionic Interactions 43 4.7 Solid- State Properties and Solubility 43 4. 8 pH and Drug Solubility 43 4.9 Solvents 44 4.9.1 Biorelevant Solubility 45 4.9.2 Buffer System – Phosphate vs Bicarbonate 46 4.9.3 Solubilisation by Surfactants 46 4.9.4 Solubilisation During Digestion 47 4.9.5 Excipients and Solubility 47 4.10 Risk of Precipitation 48 4.11 Solubility and Link to Lipophilicity 49 4.12 Conclusions 49 References 49 5 Permeability 51 Chris Roe and Vanessa Zann 5.1 Introduction 51 5.2 Enzymes, Gut Wall Metabolism, Tissue Permeability and Transporters 52 5.2.1 Enzymes 52 5.2.2 Drug Transporters 54 5.2.3 Efflux Transporters 55 5.2.4 Transporters of Greatest Relevance to Oral Biopharmaceutics 56 5.2.5 Regulatory Overview of Transporter Effects on Biopharmaceutics 58 5.2.6 Regional Expression and Polymorphism of Intestinal Transporters and Impact of Drug Variability 59 5.3 Applications and Limitations of Characterisation and Predictive Tools for Permeability Assessment 59 5.3.1 In Silico Tools: Predictive Models for Permeability 60 5.3.2 In Vitro Tools 60 5.3.2.1 Pampa 60 5.3.2.2 Cell Lines 61 5.3.3 Ex Vivo Tools 63 5.3.3.1 Ussing Chambers 63 5.3.3.2 Everted Intestinal Sac/Ring 65 5.3.4 In Situ Tools 66 5.3.4.1 Closed- Loop Intestinal Perfusion 66 5.3.4.2 Single- Pass Intestinal Perfusion 67 5.3.4.3 Intestinal Perfusion with Venous Sampling 67 5.3.4.4 Vascularly Perfused Intestinal Models 68 5.4 In Vivo Tools 68 5.5 Conclusion 69 References 69 6 Dissolution 73 Hannah Batchelor and James Butler 6.1 Introduction 73 6.2 Purpose of Dissolution Testing 73 6.2.1 Dissolution Versus Solubility 74 6.3 History of Dissolution Testing 75 6.4 Compendial (Pharmacopeial) Dissolution Apparatus 76 6.4.1 USP1 and 2 Apparatus 76 6.4.2 USP3 Apparatus 78 6.4.3 USP4 Apparatus 79 6.4.4 USP5 Apparatus 80 6.4.5 USP6 Apparatus 80 6.4.6 USP7 Apparatus 80 6.4.7 Intrinsic Dissolution Rate (IDR) Apparatus 80 6.4.8 Micro- dissolution Apparatus 81 6.5 Dissolution Media Selection 81 6.5.1 Biphasic Dissolution Media 82 6.6 Dissolution Agitation Rates 82 6.7 Reporting Dissolution Data 83 6.8 In Vitro In Vivo Relationships and Correlations (IVIVR/IVIVC) 84 6.8.1 Convolution and Deconvolution of Dissolution Data 85 6.9 Evolution of Biorelevant Dissolution Testing 86 6.9.1 Biorelevant Dissolution Media 86 6.9.2 Dissolution Testing to Mimic GI Transit 90 6.9.3 Dissolution Testing to Mimic Motility/Hydrodynamic Conditions 92 6.9.4 Dissolution Testing to Incorporate Permeability 93 6.10 Conclusions 93 References 94 7 Biopharmaceutics to Inform Candidate Drug Selection and Optimisation 99 Linette Ruston 7.1 Introduction 99 7.2 Oral Product Design Considerations During Early Development 100 7.3 Biopharmaceutics in Drug Discovery 101 7.3.1 Pre- Clinical Studies 102 7.4 Biopharmaceutics Assessment 103 7.4.1 Solubility 103 7.4.2 Permeability 104 7.4.3 Dissolution 104 7.4.4 Biopharmaceutics Classification System 104 7.4.5 Lipophilicity 104 7.4.6 pK a 105 7.4.7 Molecular Size 105 7.4.8 Crystallinity 105 7.4.9 In Vivo Pre-Clinical Studies 106 7.4.10 In Silico Modelling 106 7.4.11 Human Absorption/Dose Prediction 106 7.5 Output of Biopharmaceutics Assessment 107 7.5.1 New Modalities/Complex Delivery Systems Within Early Development 107 7.6 Influence/Optimise/Design Properties to Inform Formulation Development 108 7.6.1 Fraction Absorbed Classification System 110 7.7 Conclusion 110 References 110 8 Biopharmaceutics Tools for Rational Formulation Design 113 Panagiota Zarmpi, Mark McAllister, James Butler and Nikoletta Fotaki 8.1 Introduction 113 8.2 Formulation Development to Optimise Drug Bioavailability 115 8.3 Traditional Formulation Strategies 115 8.3.1 Decision Making for Conventional or Enabling Formulations 115 8.4 Decision Trees to Guide Formulation Development 115 8.4.1 Decision Trees Based on Biopharmaceutics Classification System (BCS) 115 8.4.2 Decision Trees Based on Developability Classification System (DCS) 117 8.4.3 Expanded Decision Trees 120 8.5 Computational Tools to Guide Formulation Strategies 120 8.5.1 Statistical Tools 120 8.5.2 Physiologically Based Pharmacokinetic/Biopharmaceutics Models 121 8.6 Decision- Making for Optimising Enabling Formulations 122 8.7 Decision Trees for Enabled Formulations 123 8.7.1 Statistical Tools 124 8.7.2 Physiologically Based Pharmacokinetic/Biopharmaceutics Models 124 8.8 System- Based Formulation Strategies 125 8.8.1 Quality by Design 125 8.8.2 Tools to Identify Quality Target Product Profile 125 8.9 Biopharmaceutics Risk Assessment Roadmap (BioRAM) 126 8.9.1 Tools to Identify Quality Target Product Profile 126 8.10 Conclusions 129 References 131 9 Biopharmaceutic Classification System 135 Hannah Batchelor and Talia Flanagan 9.1 Description and History of the BCS 135 9.2 BCS- Based Criteria for Solubility, Dissolution and Permeability 135 9.3 BCS- Based Biowaivers 137 9.4 Regulatory Development of BCS- Based Biowaivers 138 9.5 International Harmonisation of BCS- Based Biowaiver Criteria – ICH M 9 138 9.5.1 Application of BCS- Based Biowaivers 139 9.5.1.1 Drug Product Type 140 9.5.1.2 Composition 140 9.5.1.3 Dissolution Similarity 141 9.6 BCS as a Development Tool 141 9.6.1 Candidate Selection 142 9.6.2 Solid Form Selection 142 9.6.3 Product Development 142 9.7 Beyond the BCS 143 9.7.1 Biopharmaceutic Drug Disposition Classification System (bddcs) 143 9.7.2 Developability Classification System 144 9.7.3 Fraction Absorbed Classification System 144 9.7.4 BCS Applied to Special Populations 144 9.8 Conclusions 145 References 145 10 Regulatory Biopharmaceutics 147 Shanoo Budhdeo, Paul A. Dickinson and Talia Flanagan 10.1 Introduction 147 10.2 Clinical Bioequivalence Studies 148 10.3 Design of Clinical Bioequivalence (BE) Studies 150 10.4 Implication of Bioequivalence Metrics 151 10.5 Bioequivalence Regulatory Guidelines 152 10.6 Biowaivers 153 10.7 Biopharmaceutics in Quality by Design 153 10.8 Control of Drug Product and Clinically Relevant Specifications 155 10.9 Establishing Clinically Relevant Dissolution Methods and Specifications 156 10.10 Application of In Silico Physiologically Based Biopharmaceutics Modelling (PBBM) to Develop Clinically Relevant Specifications 159 10.11 Additional Considerations for Establishing Dissolution Methods and Specifications 159 10.12 Common Technical Document (CTD) 160 10.13 Other Routes of Administration and Locally Acting Drug Products 161 10.14 Conclusion 162 References 162 11 Impact of Anatomy and Physiology 165 Francesca K. H. Gavins, Christine M. Madla, Sarah J. Trenfield, Laura E. McCoubrey, Abdul W. Basit and Mark McAllister 11.1 Introduction 165 11.2 Influence of GI Conditions on Pharmacokinetic Studies 166 11.3 The Stomach 167 11.3.1 Gastric Anatomy 167 11.3.2 Gastric Motility and Mixing 168 11.3.3 Gastric Emptying 169 11.3.3.1 Gastric Fed State 170 11.3.4 Gastric Fluid Volume 170 11.3.5 Gastric Temperature 171 11.3.6 Gastric Fluid Composition 171 11.3.6.1 Gastric pH 171 11.3.6.2 Gastric Bile Salt Composition and Concentration 172 11.4 Small Intestine 172 11.4.1 Small Intestinal Anatomy 172 11.4.2 Small Intestinal Motility and Mixing 174 11.4.3 Small Intestinal Transit Time 174 11.4.4 Small Intestinal Volume 174 11.4.5 Small Intestinal Fluid Composition 175 11.4.5.1 Small Intestinal pH 176 11.4.5.2 Small Intestinal Buffer Capacity 176 11.4.5.3 Small Intestinal Surface Tension 176 11.4.5.4 Small Intestinal Osmolality 176 11.4.5.5 Bile Salt Composition and Concentration 177 11.5 The Colon/Large Intestine 177 11.5.1 Large Intestine Anatomy 178 11.5.2 Large Intestinal Motility and Mixing 178 11.5.3 Large Intestinal Transit Time 179 11.5.4 Large Intestinal Volume 179 11.5.5 Large Intestinal Fluid Composition 179 11.5.5.1 Large Intestinal pH 179 11.5.5.2 Large Intestinal Buffer Capacity 180 11.5.5.3 Large Intestinal Surface Tension 180 11.5.5.4 Large Intestinal Osmolality 180 11.5.5.5 Bile Salt Composition and Concentration 180 11.5.6 Impact of Microbiome on Oral Drug Delivery 181 11.6 Conclusions 182 References 182 12 Integrating Biopharmaceutics to Predict Oral Absorption Using PBPK Modelling 189 Konstantinos Stamatopoulos 12.1 Introduction 189 12.2 Mechanistic Models 190 12.3 Solubility Inputs 192 12.4 Dissolution Inputs 196 12.4.1 Fluid Dynamics and Dissolution 198 12.5 Permeability Inputs 198 12.6 Incorporation of Modelling and Simulation into Drug Development 200 12.6.1 Understanding the Effect of Formulation Modifications on Drug Pharmacokinetics 200 12.6.2 Model Verification/Validation 201 12.6.3 Using Modelling to Understand Bioequivalence 201 12.7 Conclusions 202 References 202 13 Special Populations 205 Christine M. Madla, Francesca K. H. Gavins, Sarah J. Trenfield and Abdul W. Basit 13.1 Introduction 205 13.2 Sex Differences in the Gastrointestinal Tract and Its Effect on Oral Drug Performance 206 13.3 Ethnic Differences in the Gastrointestinal Tract 208 13.4 Impact of Diet on Gastrointestinal Physiology 209 13.5 Pregnancy and Its Effect on Gastrointestinal Physiology 211 13.6 The Implication of Disease States on Gastrointestinal Physiology and Its Effect on Oral Drug Performance 212 13.7 Diseases that Affect the Gastrointestinal Tract 212 13.7.1 Irritable Bowel Syndrome 212 13.7.2 Inflammatory Bowel Disease 213 13.7.3 Celiac Disease 215 13.8 Infections in the Gastrointestinal Tract 216 13.8.1 Helicobacter pylori Infection 216 13.9 Systemic Diseases that Alter GI Physiology and Function 216 13.9.1 Cystic Fibrosis 217 13.9.2 Parkinson’s Disease 218 13.9.3 Diabetes 219 13.9.4 HIV Infection 221 13.10 Age- related Influences on Gastrointestinal Tract Physiology and Function 222 13.10.1 Gastrointestinal Physiology and Function in Paediatrics 222 13.10.2 Gastrointestinal Physiology and Function in Geriatrics 224 13.11 Conclusion 226 References 226 14 Inhalation Biopharmaceutics 239 Precious Akhuemokhan, Magda Swedrowska, and Ben Forbes 14.1 Introduction 239 14.2 Structure of the Lungs 240 14.2.1 Basic Anatomy 240 14.2.2 Epithelial Lining Fluid 241 14.2.3 Epithelium 241 14.3 Molecules, Inhalation Devices, Formulations 241 14.3.1 Inhaled Molecules 241 14.3.2 Inhalation Devices 242 14.3.2.1 Nebulisers 242 14.3.2.2 Pressurised Metered- Dose Inhalers 243 14.3.2.3 Dry Powder Inhalers 243 14.3.2.4 ‘Soft Mist’ Inhalers 243 14.3.3 Inhaled Medicine Formulation 243 14.4 Inhaled Drug Delivery and Models for Studying Inhalation Biopharmaceutics 244 14.4.1 Dosimetry and Deposition 244 14.4.2 Mucociliary Clearance 245 14.4.3 Dissolution 246 14.4.4 Lung Permeability, Absorption and Retention 247 14.4.5 Metabolism 248 14.4.6 Non- Clinical Inhalation Studies 248 14.4.7 Mechanistic Computer Modelling 249 14.5 Bioequivalence and an Inhalation Bioclassification System 249 14.6 Conclusion 249 References 250 15 Biopharmaceutics of Injectable Formulations 253 Wang Wang Lee and Claire M. Patterson 15.1 Introduction 253 15.2 Subcutaneous Physiology and Absorption Mechanisms 256 15.2.1 Physiology 256 15.2.2 Absorption Mechanisms 257 15.3 Intramuscular Physiology and Absorption Mechanisms 258 15.3.1 Physiology 258 15.3.2 Absorption Mechanisms 259 15.4 In Vitro Performance and IVIVC 259 15.4.1 In Silico Models 261 15.4.2 Preclinical Models 261 15.5 Bioequivalence of Injectable Formulations 261 15.6 Summary 262 References 262 16 Biopharmaceutics of Topical and Transdermal Formulations 265 Hannah Batchelor 16.1 Introduction 265 16.2 Skin Structure 266 16.2.1 Transport of Drugs Through Skin 267 16.2.2 Skin Metabolism 267 16.3 Active Pharmaceutical Ingredient Properties 267 16.4 Topical and Transdermal Dosage Forms 267 16.5 Measurement of In Vitro Drug Release 268 16.5.1 Diffusion Cells 268 16.5.2 Compendial Dissolution Apparatus 269 16.6 Measurement of Skin Permeation 269 16.6.1 Tape- Stripping ‘Dermatopharmacokinetics’ (DPK) 270 16.6.2 Confocal Laser Scanning Microscopy (CLSM) 270 16.6.3 Diffusion Cells Using Biorelevant Membranes to Model Permeation 270 16.6.3.1 Alternative Skin Substrates Used for Permeability Studies 270 16.6.4 Dermal Microdialysis 271 16.6.5 Skin Biopsy 271 16.6.6 In Silico Models of Dermal Absorption 271 16.6.7 Pre- Clinical Models 272 16.7 Bioequivalence Testing of Topical/Transdermal Products 273 16.8 Conclusions 274 References 274 17 Impact of the Microbiome on Oral Biopharmaceutics 277 Laura E. McCoubrey, Hannah Batchelor, Abdul W. Basit, Simon Gaisford and Mine Orlu 17.1 Introduction 277 17.2 Microbiome Distribution in the GI Tract 278 17.3 Key Causes of Microbiome Variability 280 17.4 Microbiome Influence on Key GI Parameters 281 17.4.1 pH 281 17.4.2 Bile Acid Concentration and Composition 281 17.4.3 Drug Transporters 283 17.4.4 Motility 283 17.4.5 Hepatic Drug Metabolism 283 17.4.6 Epithelial Permeability 284 17.5 Enzymatic Degradation of Drugs by GI Microbiota 284 17.6 Exploitation of the GI Microbiome for Drug Delivery 285 17.7 Models of the GI Microbiome 285 17.7.1 In Vitro Models 285 17.7.2 In Silico Models 289 17.8 Conclusion 289 References 290 Index 297

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Book SynopsisTable of ContentsPreface xiii 1 Effect of Confinement on the Translation-Rotation Motion of Molecules: The inelastic neutron scattering selection rule 1 1.1 Introduction 1 1.2 Diatomics in C60: entanglement, TR coupling, symmetry, basis representation, and energy level structure 4 1.2.1 Entanglement Induced Selection Rules 4 1.2.2 H@C60 5 1.2.3 H2@C60 7 1.2.3.1 Symmetry 7 1.2.3.2 Spherical basis and eigenstates 7 1.2.3.3 Energy level ordering with respect to 𝜆 8 1.2.4 HX@C60 10 1.3 INS selection rule for spherical (Kh) symmetry 11 1.3.1 Inelastic Neutron Scattering 11 1.3.2 Group Theory Derivation of the INS Selection Rule 12 1.3.2.1 Group-theory-based INS selection rule for cylindrical (C∞𝑣) environments 12 1.3.2.2 Group-theory-based INS selection rule for spherical (Kh) environments 12 1.3.3 Specific Systems, Quantum Numbers, and Basis Sets 13 1.3.3.1 H@sphere 14 1.3.3.2 H2@sphere 14 1.3.3.3 HX@sphere 15 1.3.4 Beyond Diatomic Molecules 15 1.3.4.1 H2O@sphere 15 1.3.4.2 CH4@sphere 17 1.3.4.3 Any guest molecule in any spherical (Kh) environment 18 1.4 INS selection rules for non-spherical structures 18 1.5 Summary and conclusions 20 Acknowledgments 22 References 22 2 Pressure-induced phase transitions 25 2.1 Pressure, a property of all flavours, and its importance for the Universe and life 25 2.2 Pressure: isotropic and anisotropic, positive and negative 26 2.3 Changes of the state of matter 27 2.4 Compression of solids 30 2.4.1 Isotropic or anisotropic compressibility 30 2.4.2 Negative linear compressibility 30 2.4.3 Negative area compressibility 31 2.4.4 Anomalous compressibility changes at high pressure 31 2.5 Structural solid-solid transitions 32 2.5.1 Structural phase transitions accompanied by volume collapse 32 2.5.2 Effects of volume collapse on free energy 33 2.5.3 Structure-influencing factors at compression 34 2.5.4 Changes in the nature of chemical bonding upon compression and upon phase transitions 35 2.6 Selected classes of magnetic and electronic transitions 36 2.6.1 High Spin–Low Spin transitions 36 2.6.2 Electronic com- vs disproportionation 37 2.6.3 Metal-to-metal charge transfer 37 2.6.4 Neutral-to-Ionic transitions 37 2.6.5 Metallization of insulators (and resisting it) 38 2.6.6 Turning metals into insulators 39 2.6.7 Superconductivity of elements and compounds 39 2.6.8 Topological phase transitions 41 2.7 Modelling and predicting HP phase transitions 41 Acknowledgements 42 References 42 3 Conceptual DFT and Confinement 49 3.1 Introduction and Reading Guide 49 3.2 Conceptual DFT 50 3.3 Confinement and Conceptual DFT 52 3.3.1 Atoms: global descriptors 52 3.3.2 Molecules: global and local descriptors 56 3.3.2.1 Electron Affinities 57 3.3.2.2 Hardness and electronic Fukui function 59 3.3.2.3 Inclusion of pressure in the E = E [N,v] functional 63 3.4 Conclusions 65 Acknowledgements 65 References 66 4 Electronic structure of systems confined by several spatial restrictions 69 4.1 Introduction 69 4.2 Confinement imposed by impenetrable walls 69 4.3 Confinement imposed by soft walls 72 4.4 Beyond confinement models 74 4.5 Conclusions 77 References 77 5 Unveiling the Mysterious Mechanisms of Chemical Reactions 81 5.1 Introduction 81 5.1.1 Context 81 5.1.2 Ideas and methods 82 5.1.3 Application 82 5.2 Energy and reaction force 83 5.2.1 The reaction force analysis (RFA) 83 5.2.2 RFA-based energy decomposition 84 5.2.3 Marcus potential energy function 85 5.2.4 Marcus RFA 86 5.3 Electronic activity along a reaction coordinate 87 5.3.1 Chemical potential, hardness, and electrophilicity index 87 5.3.2 The reaction electronic flux (REF) 88 5.3.2.1 Physical decomposition of REF 88 5.3.2.2 Chemical decomposition of REF 89 5.4 An application: the formation of aminoacetonitrile 90 5.4.1 Energetic analysis 91 5.4.2 Reaction mechanisms 91 5.5 Conclusions 94 Acknowledgments 95 References 95 6 A Perspective on the So-called Dual Descriptor 99 6.1 Introduction: conceptual DFT 99 6.2 The Dual Descriptor: fundamental aspects 99 6.2.1 Initial formulation 99 6.2.2 Alternative formulations 100 6.2.2.1 Derivative formulations 100 6.2.2.2 Link with Frontier Molecular Orbital theory 101 6.2.2.3 State-specific development 101 6.2.2.4 MO degeneracy 102 6.2.2.5 Quasi degeneracy 102 6.2.2.6 Spin polarization 103 6.2.2.7 Grand canonical ensemble derivation 105 6.2.3 Real-space partitioning 105 6.2.4 Dual descriptor and chemical principles 106 6.2.4.1 Principle of Maximum Hardness 106 6.2.4.2 Local hardness descriptors 106 6.2.4.3 Local electrophilicity and nucleophilicity 106 6.2.4.4 Local chemical potential and excited states reactivity 107 6.3 Illustrations 108 6.3.1 Woodward Hoffmann rules in Diels-Alder reactions 108 6.3.2 Perturbational MO Theory and Dual descriptor 109 6.3.3 Markovnikov rule 109 6.4 Conclusions 110 References 111 7 Molecular Electrostatic Potentials: Significance and Applications 113 7.1 A Quick Review of Some Classical Physics 113 7.2 Molecular Electrostatic Potentials 113 7.3 The Electronic Density and the Electrostatic Potential 114 7.4 Characterization of Molecular Electrostatic Potentials 115 7.5 Molecular Reactivity 116 7.6 Some Applications of Electrostatic Potentials to Molecular Reactivity 118 7.6.1 σ-Hole and π-Hole Interactions 118 7.6.2 Hydrogen Bonding: A σ-Hole Interaction 119 7.6.3 Interaction Energies 120 7.6.4 Close Contacts and Interaction Sites 121 7.6.5 Biological Recognition Interactions 124 7.6.6 Statistical Properties of Molecular Surface Electrostatic Potentials 125 7.7 Electrostatic Potentials at Nuclei 126 7.8 Discussion and Summary 127 References 127 8 Chemical Reactivity Within the Spin-Polarized Framework of Density Functional Theory 135 8.1 Introduction 135 8.2 The spin-polarized density functional theory as a suitable framework to describe both charge and spin transfer processes 137 8.3 Practical applications of SP-DFT indicators 141 8.4 Concluding remarks and perspectives 145 Acknowledgements 147 References 147 9 Chemical Binding and Reactivity Parameters: A Unified Coarse Grained Density Functional View 167 9.1 Introduction 167 9.2 Theory 169 9.2.1 Concept of electronegativity, chemical hardness, and chemical binding 169 9.2.1.1 Electronegativity and hardness 169 9.2.1.2 Interatomic charge transfer in molecular systems 169 9.2.1.3 Concept of chemical potential and hardness for the bond region 170 9.2.1.4 Spin-polarized generalization of chemical potential and hardness 171 9.2.1.5 Charge equilibriation methods: Split charge models and models with correct dissociation limits 172 9.2.1.6 Density functional perturbation approach: A coarse graining procedure 173 9.2.1.7 Atomic charge dipole model for interatomic perturbation and response properties 174 9.2.1.8 Force field generation in molecular dynamics simulation 174 9.3 Perspective on model building for chemical binding and reactivity 175 9.4 Concluding remarks 175 Acknowledgements 175 References 175 10 Softness kernel and nonlinear electronic responses 179 10.1 Introduction 179 10.2 Linear and nonlinear electronic responses 181 10.2.1 Linear response theory 181 10.2.1.1 Ground-state 181 10.2.1.2 Linear responses [1] 181 10.2.2 Nonlinear responses and the softness kernel 182 10.2.3 Eigenmodes of reactivity 184 10.3 One-dimensional confined quantum gas: analytical results from a model functional 185 10.4 Conclusion 188 References 188 11 Conceptual density functional theory in the grand canonical ensemble 191 11.1 Introduction 191 11.2 Fundamental equations for chemical reactivity 192 11.3 Temperature-dependent response functions 195 11.4 Local counterpart of a global descriptor and non-local counterpart of a local descriptor 200 11.5 Concluding remarks 203 Acknowledgements 204 References 204 12 Effect of confinement on the optical response properties of molecules 213 12.1 Introduction 213 12.2 Electronic contributions to longitudinal electric-dipole properties of atomic and molecular systems embedded in harmonic oscillator potential 215 12.3 Vibrational contributions to longitudinal electric-dipole properties of spatially confined molecular systems 218 12.4 Two-photon absorption in spatial confinement 219 12.5 Conclusions 220 References 221 13 A Density Functional Theory Study of Confined Noble Gas Dimers in Fullerene Molecules 225 13.1 Introduction 225 13.2 Computational details 226 13.3 Results and discussion 227 13.3.1 Changes in structure 227 13.3.2 Changes in interaction energy 227 13.3.3 Changes in bonding energy 228 13.3.4 Changes in energy components 228 13.3.5 Changes in noncovalent interactions 229 13.3.6 Changes in information-theoretic quantities 231 13.3.7 Changes in spectroscopy 232 13.3.8 Changes in reactivity 233 13.4 Conclusions 236 Acknowledgments 236 References 236 14 Confinement Induced Chemical Bonding: Case of Noble Gases 239 14.1 Introduction 239 14.2 Computational details and theoretical background 241 14.3 The bonding in He@C10H16: A debate 243 14.4 Confinement inducing chemical bond between two Ngs 244 14.5 XNgY insertion molecule: Confinement in one direction 251 14.6 Conclusions 254 Acknowledgements 255 References 255 15 Effect of both Structural and Electronic Confinements on Interaction, Chemical Reactivity and Properties 263 15.1 Introduction 263 15.2 Geometrical changes in small molecules under spherical and cylindrical confinement 264 15.3 Hydrogen bonding interaction of small molecules in the spherical and cylindrical confinement 265 15.4 Spherical and cylindrical confinement and chemical reactivity 267 15.5 Concluding remarks 268 References 270 16 Effect of confinement on gas storage potential and catalytic activity 273 16.1 Introduction 273 16.2 Endohedral gas adsorption inside clathrate hydrates 274 16.3 Hydrogen hydrates 276 16.4 Methane hydrates 278 16.5 Noble gas hydrates 279 16.6 Confinement induced catalysis of some chemical reactions 280 16.7 Outlook 285 Acknowledgements 285 References 285 17 Engineering the Confined Space of MOFs for Heterogeneous Catalysis of Organic Transformations 293 17.1 Introduction 293 17.2 Catalysis at the open metal sites 293 17.2.1 MOFs endowed with open metal site(s) 294 17.2.2 Removal of volatile molecules from metal nodes to perform catalysis 297 17.2.3 Catalysis at the metal node post transmetalation 299 17.3 Functionalization in the MOF to furnish catalytic site 301 17.3.1 Attaching the catalytically active moieties to the metal nodes (SBU) 301 17.3.2 Preconceived catalytic site into the linker 301 17.3.3 Post synthetic modification of the linker 304 17.3.4 MOFs with linkers having coordinated metal ions (metalloligands) 306 17.4 MOFs as bifunctional catalyst 310 17.5 Impregnation/encapsulation of nanoparticles in the MOF cavity for catalysis 317 17.6 Engineering homochiral MOFs for enantioselective catalysis 320 17.7 Conclusion 325 Acknowledgements 326 References 326 18 Controlling Excited State Chemistry of Organic Molecules in Water Through Incarceration 335 18.1 Introduction 335 18.2 Complexation properties of OA 337 18.3 Properties of OA capsule 339 18.4 Dynamics of encapsulated guests 340 18.5 Dynamics of host-guest complex 346 18.6 Room temperature phosphorescence of encapsulated organic molecules 353 18.7 Consequence of confinement on the photophysics of anthracene 356 18.8 Selective photo-oxidation of cycloalkenes 358 18.9 Remote activation of encapsulated guests: Electron transfer across an organic wall 360 18.10 Summary 362 Acknowledgements 363 References 363 19 Effect of Confinement on the Physicochemical Properties of Chromophoric Dyes/Drugs with Cucurbit[n]uril: Prospective Applications 371 19.1 Introduction 371 19.1.1 Confinement of dyes/drugs in macrocyclic hosts 372 19.1.1.1 Cyclodextrins 372 19.1.1.2 Calixarenes 373 19.1.1.3 Cucurbiturils 373 19.2 Confinement in cucurbituril hosts: effects on the physicochemical properties of guest molecules – advantages for various technological applications 374 19.2.1 Enhanced photostability and solubility of rhodamine dyes 375 19.2.1.1 Water-based dye laser 376 19.2.2 Enhanced luminescence and photostability of CH3NH3PbBr3 perovskite nanoparticles 377 19.2.3 Enhanced antibacterial activity and extended shelf-life of fluoroquinolone drugs with cucurbit[7]uril 377 19.2.4 Effect of confinement on the prototropic equilibrium 379 19.2.4.1 Salt-induced pKa tuning and guest relocation 379 19.2.5 Confinement in cucurbit[7]uril-mediated BSA: stimuli-responsive uptake and release of doxorubicin 380 19.2.6 Effect of confinement on the fluorescence behavior of chromophoric dyes with cucurbiturils 380 19.2.6.1 Fluorescence behavior of chromophoric dyes with cucurbit[7]uril 381 19.2.6.2 Fluorescence behavior of chromophoric dyes with cucurbit[8]uril 383 19.2.7 Effect of confinement on the catalytic performance within cucurbiturils 386 19.3 Conclusion 388 Acknowledgement 389 References 389 20 Box-Shaped Hosts: Evaluation of the Interaction Nature and Host Characteristics of ExBox Derivatives in Host-Guest Complexes from Computational Methods 395 20.1 Introduction 395 20.2 Noncovalent interactions through energy decomposition analysis 396 20.3 Ex0Box4+ (CBPQT4+) 398 20.4 ExBox4+ and Ex2Box4+ 399 20.5 Larger boxes 406 20.6 NMR features 408 20.7 All carbon counterpart 409 20.8 Conclusions 409 Acknowledgments 410 References 411 Index 417

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Book SynopsisCURRENT PRACTICE in Forensic Medicine Presents a unique overview and critical commentary on the latest developments in forensic medical practice worldwide The field of forensic medicine continues to evolve worldwide. In recent years, the amount of research has increased and new areas of forensic specialization have developed. Forensic practitioners need to keep pace with a range of international advances from innovative technologies to new or revised laws and regulations to emerging issues of controversy. Current Practice in Forensic Medicine, Volume 3 provides an in-depth examination of key areas of the field. This timely and comprehensive resource addresses consent for forensic procedures, imaging for soft tissue injuries, working with victims of torture, non-accidental injury in the elderly, medical and toxicological aspects of chemical warfare, non-fatal strangulation, abusive head trauma in young children, and more. Each chapter contains a general overview of the area under discuTable of ContentsList of Contributors Preface xix Chapter One: The new Medical Examiner System in England and Wales: its role in the medicolegal investigation of death 1 Introduction 1 Background 2 Structure and function of the Medical Examiner system in England and Wales 7 Medical Examiners 9 Medical Examiner Officers 11 How does a Medical Examiner Service work? 12 Relationships with other teams supporting the deceased and bereaved 16 Conclusion 16 References 17 Chapter Two: Who makes false allegations and why? The nature, motives, and mental health status of those who wrongly allege sexual assault 21 The nature of false allegations 21 Deliberate fabrication 22 Inadvertent allegations 27 Conclusion 33 References 34 Chapter Three: Disclosure of evidence in sexual assault cases 41 Introduction 41 Definition and interpretation 42 Disclosure and the medical professional 44 The Court of Appeal judgements in the context of forensic and legal medicine 49 Conclusion 51 References 52 Chapter Four: Current perspectives on the type and use of weapons used to police public assemblies around the world 55 Introduction 55 Less- lethal weapons 59 Kinetic impact projectiles 65 Conclusion 73 Acknowledgement 73 References 74 Chapter Five: Non- fatal strangulation 81 Introduction 81 Non- fatal strangulation and intimate- partner violence 81 Legal status of non- fatal strangulation 82 Non- fatal strangulation and assault 83 Symptoms and signs of non- fatal strangulation (acute and longer term) 86 Examples of findings and descriptions of NFS assaults 97 Management of non- fatal strangulation 104 Radiological imaging in non- fatal strangulation 104 Conclusion 106 References 106 Chapter Six: DNA: current developments and perspectives 109 Introduction 109 STR improved autosomal multiplexes used for criminal justice 110 Rapid DNA 113 DNA mixtures 116 Massively parallel sequencing 119 Forensic DNA phenotyping 124 Forensic genealogy 132 Conclusion 135 References 135 Chapter Seven: The utility of forensic radiology in evaluation of soft tissue injury 143 Introduction 143 Limitations 145 Types of cross- sectional radiological imaging 147 Types of injury 148 Injury patterns and causation 157 Gunshot injuries 160 Ligature soft tissue injuries 160 Conclusion 163 References 163 Chapter Eight: Abusive head trauma in children – a clinical diagnostic dilemma 167 Definitions 167 A brief history 168 Current hypothesis on the development of subdural haemorrhage, retinal haemorrhage, and hypoxic–ischaemic encephalopathy in AHT 170 The presentation and diagnosis of AHT 170 The development of a controversy 171 Clinical medicine and the medical diagnosis 173 Alternative hypotheses 173 Short- distance falls 174 The circular argument 175 Confession evidence 176 The missing biomechanical model 176 The clinician’s approach to a diagnosis of AHT 177 Terminology 179 Conclusion 182 References 182 Chapter Nine: The ageing population: needs and problems of the older person in prison 187 Overview 187 Introduction 187 Health and social care needs of older people in prison 188 Key steps in addressing the needs of the older person in prison 196 Where next? 201 References 201 Chapter Ten: Fitness to plead and stand trial – from the Ecclesfield Cotton Mill dam to Capitol Hill 205 Introduction 205 The application of the Pritchard test in England and Wales 212 Physical illness or disability and fitness to plead and fitness to stand trial in England and Wales 215 Related provisions in some other common law jurisdictions 215 A practical approach to assessment 220 Conclusion 220 Acknowledgements 221 References 221 Law reports 222 Chapter Eleven: Quality standards for healthcare professionals working with victims of torture in detention 225 Introduction 225 Why were quality standards needed? 226 Prevalence of torture 226 Clinical consequences of prior torture 226 Methods of torture 226 Detention in the United Kingdom and risks for patients’ health 228 Effects of detention on victims of torture 229 Professional responsibility 230 Outcomes 230 Conclusions 235 References 236 Chapter Twelve: A forensic approach to intimate partner homicide 239 Introduction 239 The ‘crime of passion’ discourse 241 Coercive control discourse 242 Medical narratives and discourse 243 IPH and IPA as expert knowledge 244 Response practices 245 Conclusions 249 References 250 Chapter Thirteen: Non- lethal physical abuse in the elderly 253 Failure to diagnose 254 The ageing process 254 Acknowledgement 275 References 276 Chapter Fourteen: Physical intervention and restraint 279 Introduction 279 The organisational approach to managing challenging behaviour, aggression, and violence 279 Minimising the risk of injury and death 281 Use of force in therapeutic environments 282 The use- of- force hierarchy 282 Organisational approaches to managing challenging behaviour and violence 283 Physical interventions in other (non- policing) environments 284 The range and risks of physical interventions 286 Conclusions 291 Acknowledgement 292 References 292 Chapter Fifteen: Medical and toxicological aspects of chemical warfare: the nature, classification, and management of chemical agents used in warfare 293 Introduction 293 OPCW and control and schedules 294 Hazard/threat assessment 294 Environmental indicators and detection overview 294 Bioanalytical detection overview 295 Classes of chemical weapons and casualty management 297 Pulmonary agents: chlorine and phosgene 305 Asphyxiants: cyanide and hydrogen sulphide 309 Blistering agents/vesicants: sulphur mustard chlorine and lewisite 311 Other chemical warfare agents 315 Opiates and opioids 317 Perfluoroisobutene (PFIB) 319 Bioregulators 320 Endorphins and enkephalins 321 Neurokinins, including substance P 321 Endothelins 321 Bradykinin 322 Angiotensin 322 Neurotensin 322 Other Bioregulators 323 Summary 323 References 323 Index 327

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Book SynopsisThe Chemistry of Organocobalt Compounds RCo PATAI's Chemistry of Functional Groups The Chemistry of Organocobalt Compounds A series of advanced treatises founded by Professor Saul Patai and now under the general editorship of Professors Ilan Marek and Joel F. Liebman PATAI's Chemistry of Functional Groups publishes comprehensive reviews on all aspects of specific functional groups. Each volume contains outstanding surveys on theoretical and computational aspects, NMR, MS, other spectroscopic methods and analytical chemistry, structural aspects, thermochemistry, photochemistry, synthetic approaches and strategies, synthetic uses and applications in chemical and pharmaceutical industries, biological, biochemical, and environmental aspects. To date, over 150 volumes have been published in the series. Recently Published Titles The Chemistry of Cyclobutanes (2 parts) The Chemistry of Peroxides (Volume 2, 2 parts) The Chemistry of Organozinc Compounds (2 parts) The Chemistry of Anilines (2 pTable of Contents1 Structural chemistry of organocobalt compounds 1 Sandip Munshi and Tapan K. Paine 2 Mass spectrometry of organocobalt derivatives 45 Konrad Koszinowski 3 Some aspects of the energetics of species containing cobalt–carbon bonds 65 Maja Ponikvar-Svet and Joel F. Liebman 4 Cobaloxime complex-mediated organic chemistry 83 Mark E.Welker 5 Electrochemistry of organocobalt compounds 103 Olivier Buriez and Eric Labbe 6 Electrochemical cobalt-catalyzed C−H activations with potential 139 Ruhuai Mei, Ramesh C. Samanta, Uttam Dhawa, Wenbo Ma, and Lutz Ackermann 7 Cobalt-catalyzed C−H activation 171 Naohiko Yoshikai 8 Cobalt-catalyzed carbonylation reactions 235 Priyanka Chakraborty, Rajib Mandal, and Basker Sundararaju 9 Cobalt-catalyzed reductive cross-coupling reactions 283 Corinne Gosmini and Audrey Auffrant 10 Cobalt-catalyzed [2 + 2 + 2] cycloaddition reactions 301 Tim Gläsel and Marko Hapke 11 Cobalt-catalyzed cross-coupling reactions 371 Lorena Capdevila and Xavi Ribas 12 Nicholas reaction 425 Azusa Kondoh and Masahiro Terada 13 Cobalt-catalyzed alkene hydrogenation 461 Lu Qian, Guixia Liu, and Zheng Huang 14 Cobalt N-heterocyclic carbene complexes in organic synthesis 487 Yajie Chou and Hervé Clavier Subject index 541

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Book SynopsisBASICS OF ANALYTICAL CHEMISTRY AND CHEMICAL EQUILIBRIA Familiarize yourself with the fundamentals of analytical chemistry with this easy-to-follow textbook Analytical chemistry is the study of chemical composition, concerned with analyzing materials to discover their constituent substances, the amounts in which these substances are present, and more. Since materials exist in different states and undergo reactions, analytical chemistry is also concerned with chemical equilibria, the state at which various reactants and substances will undergo no observable chemical change without outside stimulus. This field has an immense range of practical applications in both industry and research and is a highly desirable area of expertise for the next generation of chemists. Basics of Analytical Chemistry and Chemical Equilibria provides an introduction to this foundational subject, ideal for specialized courses. It introduces not only the core concepts of analytical Table of ContentsPreface ix About the Companion Website xiii I Quantitative Analysis Using Reactions That Go to “completion” 1 1 Making Measurements 3 1.1 Introduction 3 1.2 Glp and a Few Other Important Acronyms 10 1.3 Precision and Random Error 14 1.4 Discarding a Suspected Outlier 25 1.5 Calibration 28 1.6 Maintaining Accurate Results 44 Practice Exercises 49 2 Sample Preparation, Extractions, and Chromatography 53 2.1 Sampling and Control Samples 53 2.2 Sample Preparation 59 2.3 Solvents and Solutions 65 2.4 Introduction to Solubility 69 2.5 Extraction and Partitioning Theory 72 2.6 Introduction to Stationary Phases 84 2.7 Solid-Phase Extraction (SPE) 88 2.8 Column Chromatography 94 Practice Exercises 97 3 Classical Methods 103 3.1 Introduction 103 3.2 Review of Chemical Reactions 105 3.3 Reactions in Aqueous Solution 112 3.4 Gravimetry 121 3.5 Titration 125 3.6 Titration Curves 133 3.7 Coulometry 135 Practice Exercises 138 4 Molecular Spectroscopy 143 4.1 Introduction 143 4.2 Properties of EM Radiation 144 4.3 Electromagnetic Spectrum 148 4.4 Spectroscopic Transitions 150 4.5 UV Vis Absorption Spectroscopy 155 4.6 UV Vis Instrumentation 158 4.7 Beer–Lambert Law 161 4.8 Molecular Fluorescence 170 Practice Exercises 178 II Reactions That Do Not Go to “completion.” Equilibria in Aqueous Solutions 183 5 Acid–base Equilibria and Activity 185 5.1 Acids and Bases 185 5.2 Weak Acids and Weak Bases 192 5.3 Water and Kw 197 5.4 Acid Strength 202 5.5 The Concept of Activity 207 5.6 Acid–Base Equilibrium Calculations 219 Practice Exercises 225 6 Buffer Solutions and Polyprotic Acids 229 6.1 Buffer Solutions 229 6.2 Alpha Fraction Plots 234 6.3 Weak Acid Titration Curve 238 6.4 Polyprotic Acids 241 Practice Exercises 250 7 Metal–ligand Complexation 253 7.1 Complex Terminology 254 7.2 Complex Equilibria 258 7.3 Competing Equilibria 264 7.4 Stepwise Complexation 271 7.5 Immunoassays 276 Practice Exercises 279 8 Precipitation Equilibria 283 8.1 Precipitate Equilibrium 284 8.2 Molar Solubility 291 8.3 Common-Ion Effect 297 8.4 Precipitation and Competing Equilibria 299 8.5 Drinking Water 304 Practice Exercises 306 III Instrumental Methods and Analytical Separations 311 9 Electroanalytical Chemistry 313 9.1 Introduction 313 9.2 Standard Reduction Potentials 316 9.3 Using Half Reactions 321 9.4 Background on Spontaneous Reactions and Equilibrium 327 9.5 Reaction Energies, Voltages, and the Nernst Equation 331 9.6 Electrochemical Cells 334 9.7 Potentiometry 340 9.8 Ion-Selective Electrodes (ISE) 342 9.9 Voltammetry 350 Practice Exercises 358 10 Atomic Spectrometry 361 10.1 Atomization 363 10.2 Atomic Absorption Spectrometry (AAS) 368 10.3 Atomic Emission Spectrometry (AES) 378 10.4 Inductively Coupled Plasma Mass Spectrometry (ICP-MS) 381 10.5 Other Mass Spectrometer Designs 390 Practice Exercises 395 11 Molecular Structure Determination 399 11.1 Introduction 399 11.2 Molecular Mass Spectrometry 402 11.3 Fourier-Transform Infrared Spectroscopy 407 11.4 FTIR Instrumentation 412 11.5 Nuclear Magnetic Resonance Spectroscopy 416 11.6 NMR Instrumentation 421 Practice Exercises 424 12 Analytical Separations 425 12.1 Thin-Layer Chromatography 426 12.2 Chromatogram Terminology 431 12.3 Separation Efficiency 435 12.4 Gas Chromatography (GC) 439 12.5 Gas Chromatography Mass Spectrometry (GC-MS) 444 12.6 High Performance Liquid Chromatography 447 12.7 Electrophoresis 460 Practice Exercises 464 Index 469

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Book SynopsisFUEL ADDITIVES Explore a complete and insightful review of fuel additives In Fuel Additives: Chemistry and Technology, petroleum industry chemist R. D. Tack delivers a comprehensive and practical exploration of various types of fuel additives, the problems they're meant to address, what they do, their chemistries and preparations, and a discussion of how they work. The book introduces and summarizes refinery operations to an extent that discussions of fuels in the following chapters become easier to understand. Then follow detailed descriptions of problems that occur for reasons of the ways in which liquid petroleum fuels are transported, stored, and used. In these discussions, their applications to jet fuel, heating oils, gasoline, diesel fuels, and bunker fuels are covered. Fuel Additives: Chemistry and Technology also includes: A thorough overview of fuels, including discussions of refinery operations and processes and the applicationTable of ContentsAcknowledgements xi Preface xii Abbreviations xv 1 Fuels and Fuel Additives – Overview 1 1.1 Introduction 1 1.2 Refinery Operations and Processes 2 1.2.1 Distillation 2 1.2.2 Balancing Production to the Demand Barrel 5 1.2.3 Catalytic Conversions 11 1.2.4 Alkylation 11 1.2.5 Coking 12 1.3 Finished Fuels 12 1.3.1 Gasoline 13 1.3.2 Middle Distillates 16 1.3.2.1 Jet Fuel 17 1.3.2.2 Diesel Fuel 18 1.3.2.3 Heating Oils 20 1.3.2.4 Marine Diesel Fuels and Power Generation 20 1.3.4 Coal, Gas or Biomass to Liquids 22 1.3.5 Biofuels 22 1.4 Fuel Additives – Value and Need 23 1.4.1 Value 23 1.4.2 Need 24 1.5 The Application of Fuel Additives 26 1.6 Fuel Quality, Taxation, Dyes and Markers 30 1.6.1 The Need for Quality and Brand Recognition 30 1.6.2 The Introduction and Growth of Fuel Taxation 30 1.6.3 The Use and Chemistries of Fuel Dyes 33 1.6.4 Invisible Fuel Markers 36 1.7 Future Need for Fuel Additives 39 2 Fuel Stabilisers: Antioxidants and Metal Deactivators 51 2.1 Introduction 51 2.2 Detailed Problems 52 2.2.1 Oxidative Stability of Jet Fuels 52 2.2.2 Oxidative Stability of Gasoline 54 2.2.3 Oxidative Stability of Diesel Fuel 54 2.3 Tests of Oxidative Stability 55 2.3.1 Jet Fuel Stability Tests 55 2.3.2 Gasoline Stability Tests 56 2.3.3 Diesel Fuel Stability Tests 57 2.4 Stability Additives: Antioxidants and Metal Deactivators 58 2.4.1 Antioxidants 58 2.4.2 Metal Deactivators (Mdas) 61 2.4.3 Thermal Stability Additives 61 2.5 Mechanisms 62 2.5.1 Hydrogen Atom Abstraction from Hydrocarbon Molecules 62 2.5.2 Initiation 65 2.5.3 Propagation 65 2.5.4 Termination 67 2.5.5 Formation of Difunctional Molecules during Autoxidation 68 2.5.6 Mechanisms of Antioxidant Action 68 3 Fuel Detergents 77 3.1 Introduction 77 3.2 Detailed Problems 78 3.2.1 Gasoline Engines 78 3.2.2 Fuel Injector Deposits in Diesel Engines 80 3.2.3 Heating Oils 82 3.2.4 Jet Engines 82 3.3 What Detergents Do 83 3.4 The Chemistries of Fuel Detergents 86 3.4.1 General Background 86 3.4.2 Detail 90 3.4.2a Poly-IsoButylene, PIB 90 3.4.2b PIBSA 91 3.4.2c PIBSA-PAM 92 3.4.2d PIB-Amine 96 3.4.2e Mannich Detergent 99 3.4.2f Imidazoline 100 3.4.2g PIBSA/Polyols 101 3.4.2h Polyether Amines 101 3.4.2i Quaternised Detergents 102 3.4.2j Carrier Fluid 104 3.4.2k Jet Fuel Detergent 105 3.5 Mechanism of Detergency Action 106 3.5.1 Chemical Identities of Deposits 106 3.5.1a Oxygenated Hydrocarbons 106 3.5.1b Zinc Deposits 110 3.5.2 The Action of Detergents 111 3.5.3 Stabilisation of Dispersed Deposit or Particulate Material by Fuel Detergents in Gasoline and Middle Distillates 114 3.5.4 Chemical Reactions of Dispersants with Deposits 116 4 Cold Flow Improvers 129 4.1 Introduction 129 4.2 Detailed Problems and What Cold Flow Improvers Do 131 4.2.1 Diesel Vehicle Fuel Systems and Operability 132 4.2.2 Cloud Point Limitation 133 4.2.3 Pour Point Limitation 134 4.2.4 Diesel Vehicle Operability and the Cold Filter Plugging Point 135 4.2.5 Cold Flow Improvement and Fuel Variations 138 4.2.6 Cloud Point Depression 144 4.2.7 Wax Anti-Settling 145 4.3 The Organic Chemistry of Wax Crystal Modifying Cold Flow Improvers 149 4.3.1 Linear Ethylene Copolymers 152 4.3.2 The Free Radical Polymerisation Process 154 4.3.3 Comb Polymers 159 4.3.3a Free Radical Comb Polymers 159 4.3.3b Poly-1-Alkenes 161 4.3.4 Polar Nitrogen Compounds – Long Chain Alkyl-Amine Derivatives 162 4.3.5 Nucleators 164 4.3.6 Alkylphenol-Formaldehyde Condensates (Apfcs) 168 4.4 Mechanism of Wax Crystallization and Modification 170 4.4.1 Wax Crystal Compositions and Structures 170 4.4.1a Compositions 170 4.4.1b Structures 173 4.4.2 The Crystallisation Process 175 4.4.3 n-Alkane-Wax Nucleation 175 4.4.4 Effects of Additives on Nucleation 177 4.4.4a EVAC Nucleator 177 4.4.4b Nucleator Additives with Crystallinity, PEG Esters and PEPEP 179 4.4.5 n-Alkane-Wax Crystal Growth 181 4.4.5a Comparison of Untreated and WCM Treated Wax Crystals 181 4.4.5b Mechanism of Crystal Growth 182 4.4.5c Effects of Additives on Crystal Growth 184 4.4.5d Very Small Wax Crystals and Wax Anti-Settling 188 4.4.5e Cloud Point Depression 190 4.4.5f Rapid Growth of Wax Crystals in Narrow Boiling Distillates 191 4.6 Cold Flow Tests 193 5 Protection of Metal Surfaces in Fuel Systems: Lubricity Improvers and Corrosion Inhibitors 209 5.1 Lubricity: Introduction 209 5.2 Detailed Lubricity Problems 211 5.2.1 Jet Fuel 211 5.2.2 Gasoline 212 5.2.3 Diesel 214 5.3 Chemistries of Lubricity Improvers 216 5.3.1 Carboxylic Acids as Lubricity Improvers 216 5.3.2 Carboxylic Esters and Amides as Lubricity Improvers 218 5.4 Understanding of Boundary Friction and Lubricity 220 5.5 Introduction: Corrosion in Fuel Systems 224 5.6 Corrosion Issues in Various Fuels 226 5.6.1 Automotive Gasoline and Diesel Fuels 226 5.6.2 Jet Fuels 227 5.6.3 Heating Oils 228 5.6.4 Distillate Marine Fuels and Off-Road Fuels 229 5.6.5 Heavy (Residual) Fuels 229 5.7 Chemistries of Fuel Corrosion Inhibitors 230 5.7.1 Corrosion by Water/Oxygen and by Carboxylic Acids 231 5.7.2 Corrosion by Sulphur 235 5.7.3 Corrosion by Vanadium Pentoxide 240 5.8 Mechanisms of Corrosion and Its Inhibition 241 5.8.1 Corrosion by Water/Oxygen and by Carboxylic Acids 241 5.8.2 Corrosion by Sulphur 244 5.8.3 Corrosion by Vanadium Pentoxide 245 6 Combustion Improvers 261 6.1 The Need for Combustion Improvers 261 6.2 Combustion Improver Specific Problems 262 6.2.1 Gasoline Engine Knock and Octane Boosters 262 6.2.2 Diesel Knock and Cetane Improvers 265 6.2.3 Combustion Improvers for Heating Oils and Heavy Fuels 269 6.2.4 Combustion Improvers for Particulates in Diesel Engine Exhausts 270 6.3 Mechanisms of Soot Formation and Its Removal 275 6.3.1 The Formation of Soot 275 7 Additives to Treat Problems during the Movement and Storage of Fuels 287 7.1 Introduction 287 7.2 Drag Reducing Agents 288 7.2.1 The Pipeline Problem 288 7.2.2 Chemistries of DRAs 289 7.2.3 The Process of Drag Reduction 291 7.3 Static Dissipaters 291 7.3.1 The Problem of Static Electricity in Fuels 291 7.3.2 Chemistries of Static Dissipaters 294 7.3.3 Understanding Static Dissipaters 299 7.4 Antifoam Additives 302 7.4.1 The Problem of Foaming 302 7.4.2 What Antifoams Do and Their Chemistries 303 7.4.3 Syntheses of Silicone Antifoams 304 7.4.4 How Antifoam Additives Work 306 7.5 Demulsifiers and Dehazers 307 7.5.1 The Problem of Water-in-Fuel Emulsions or Haze 307 7.5.2 The Chemistry of Demulsifiers 308 7.5.3 The Process of Demulsification 313 7.6 Anti-Icing 315 7.6.1 The Problem of Icing 315 7.6.2 The Gasoline Icing Problem 316 7.6.3 The Jet Fuel Icing Problem 317 7.6.4 Jet Fuel Anti-Icing Additives 319 7.7 Biocides 320 7.7.1 Problems 320 7.7.2 Chemistries of Biocides Used in Fuels 321 Index 335

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Book SynopsisThe focus of this book is the chemistry of environmental engineering and its applications, with a special emphasis on the use of polymers in this field. It explores the creation and use of polymers with special properties such as viscoelasticity and interpenetrating networks; examples of which include the creation of polymer-modified asphalt as well as polymers with bacterial adhesion properties. The text contains the issues of polymerization methods, recycling methods, wastewater treatment, types of contaminants, such as microplastics, organic dyes, and pharmaceutical residues. After a detailed overview of polymers in Chapter 1, their special properties are discussed in the following chapter. Among the topics is the importance of polymers to water purification procedures, since their use in the formation of reverse osmosis membranes do not show biofouling. Chapter 3 details special processing methods, such as atom transfer radical polymerization, enzymatic polymerization, plasma trTable of ContentsPreface xi 1 Special Polymers 1 1.1 Poly(ethylene) 1 1.1.1 Metallocene Poly(ethylene) 1 1.1.2 Geomembranes 6 1.2 Poly(styrene) 7 1.2.1 Syndiotactic Poly(styrene) 7 1.3 Poly(ethylene terephthalate) 11 1.3.1 Blends of Poly(ethylene terephthalate) and Poly(phenylene sulfide) 11 1.4 Silicones 12 1.4.1 Silicon Nanocrystals and Silicon-Polymer Hybrids 12 1.4.2 Surfactants 13 1.5 Self-healing Polymers 25 1.5.1 Multiphasic Copolymer 26 1.5.2 Hydrophobic Coatings 28 1.5.3 Microcapsule Based Self-Healing 28 1.5.4 Tunable Mechanical Strengths 29 1.5.5 Bioinspired Pathways 30 1.6 Fibers and Smart Polymers 32 1.6.1 Natural Fiber Reinforced Polymer Composites 32 1.6.2 Shape Memory Systems 35 1.6.3 Smart Polymers 41 1.7 Porous Materials 42 1.7.1 Preparation Methods 42 1.7.2 Polymer Foams 48 1.7.3 Porous Polymer Monoliths 50 1.7.4 Concrete 51 References 54 2 Special Properties of Polymers 63 2.1 Viscoelasticity 63 2.2 Impact response of Hybrid Carbon/Glass Fiber Reinforced Polymer Composites 63 2.3 Mechanical Properties 64 2.3.1 Real Elastic Network Theory 64 2.3.2 Interpenetrating Polymer Network Hydrogels 65 2.3.3 Flax Fabric Reinforced Polymer 66 2.3.4 Asphalt 66 2.4 Bacterial Adhesion 70 2.4.1 Influence of Stiffness 72 2.4.2 Bioactive Sulfone Polymers 74 2.4.3 Functionalized Dopamine 82 2.4.4 Sub-micrometer Structures 83 2.4.5 Mechanically Modulated Microgel Coatings 85 2.4.6 Conductive Polymers 86 2.4.7 Reverse Osmosis Membranes 87 References 94 3 Processing Methods 99 3.1 Radiation Processing 99 3.2 Additive Manufacturing 99 3.3 Atom Transfer Radical Polymerization 101 3.3.1 Vinyl Macromonomers of Poly(styrene) 101 3.3.2 Ultrasound Atom Transfer Radical Polymerization 102 3.3.3 Near-Infrared Sensitized Photoinduced Atom-Transfer Radical Polymerization 103 3.4 Reversible Addition-Fragmentation Chain Transfer Polymerization 105 3.5 Enzymatic Polymerization 108 3.6 Surface Patterning 111 3.6.1 Nonthermal Plasma Technology 111 3.7 Friction Welding 113 3.7.1 ABS and Poly(amide)s 114 3.8 Interfacial Engineering 117 3.9 Plasma Treatment 118 3.9.1 Mineralization of Plasma Treated Polymer Surfaces 118 3.9.2 Wetting Properties 119 3.9.3 Vapor Phase Graft Polymerization 121 3.9.4 Effect of Plasma Treatment Frequency 123 3.9.5 Plasma Treatment in Textile Industry 124 3.9.6 Antimicrobial Surfaces 126 3.9.7 Non-Thermal Plasma Treatment of Agricultural Seeds 130 3.9.8 Special Materials 132 References 136 4 Recycling 143 4.1 Recycling Methods 143 4.1.1 Primary Recycling 143 4.1.2 Secondary Recycling 143 4.1.3 Tertiary Recycling 144 4.1.4 Quaternary Recycling 144 4.1.5 Melt Filtration 145 4.1.6 Hydrothermal Recycling 148 4.1.7 Quality of Postconsumer Plastics 149 4.2 Materials 151 4.2.1 Poly(propylene) Waste 151 4.2.2 PET Bottles 152 4.2.3 Engineering Epoxy Resin 156 4.2.4 Carbon Nanotube-Filled Polycarbonate 157 4.2.5 Asphalt Compositions 158 4.2.6 Tire Rubbers 160 References 161 5 Wastewater Treatment 165 5.1 Properties and Contaminants 165 5.1.1 Microplastics 167 5.1.2 Organic Dyes 168 5.1.3 Pharmaceutical Residues in Wastewater 169 5.1.4 Passively Aerated Biological Filter 171 5.2 Adsorbents 173 5.2.1 Activated Carbon 173 5.2.2 Adsorbent Regeneration 176 5.2.3 Ultrasound-assisted treatment 177 5.2.4 Praseodymium Molybdate 178 5.2. Biosorbents 179 References 181 6 Pesticides 183 6.1 Pesticide Carriers 183 6.2 PCL Nanocapsules 184 6.3 Self-Decontamination Mechanisms 185 6.4 Controlled Release of Pesticides 186 6.4.1 PVA-Starch Composite Films 187 6.4.2 PLA Nanofibers 188 6.4.3 PBSU and PLA Nanofibers 188 6.4.4 Poly(3-hydroxybutyrate) 189 6.5 Sensors 190 6.5.1 Biosensor for Dichlorvos 190 6.5.2 Biosensor for Carbaryl 192 6.5.3 Voltammetric Method for Ethyl Paraoxon 192 6.5.4 Nitrogen Doped Graphene Electrode 193 6.5.5 Molecularly Imprinted Sensor 194 6.5.6 Ecotoxicity Evaluation 195 References 197 7 Electrical Uses 199 7.1 Photovoltaic Materials 199 7.2 Solar Cells 200 7.3 Energy Storage and Dielectric Applications 200 7.3.1 Polymer Nanocomposites 201 7.3.2 Multiwall Carbon Nanotubes 207 7.3.3 High-Temperature Dielectric Materials 208 7.4 Light Emitting Polymers 208 7.4.1 Circularly Polarized Light 208 7.4.2 Polymer Types 210 7.4.3 Color Management 213 7.4.4 Light-Emitting Electrochemical Cells 222 7.5 Fast Charging Batteries 228 7.5.1 Charging Stages 230 7.5.2 Increasing the Cycling Lifetime 232 7.5.3 Lithium-Ion Batteries 232 7.6 Electrical Power Cable Engineering 234 7.6.1 Carbon Nanotube Cables 235 7.6.2 High Voltage Alternating Current Cables for Subsea Transmission 235 7.6.3 Biodegradable Polymer Cables 238 References 238 8 Food Engineering 245 8.1 Software 245 8.1.1 GUI Software Packages 245 8.1.2 Food Ingredient Tracing 246 8.1.3 Microbial Growth 246 8.2 Materials 247 8.2.1 Microbial Biopolymers 247 8.2.2 Marine Polysaccharides 247 8.3 Protein Engineering 249 8.4 Instrumentation and Sensors 250 8.4.1 Biosensors 250 8.4.2 Electronic Tongues 253 8.4.3 Microwave Methods 254 8.4.4 Optoelectronic Sensor 256 8.4.5 Digital Image Analysis 257 8.5 Ultrasonic Methods 258 8.5.1 Special Applications 259 8.5.2 Composition of Meat 259 8.5.3 Flour Quality 261 8.5.4 Porosity of Bread 262 8.5.5 Dairy Products 263 References 265 9 Medical Uses 269 9.1 Drug Delivery 269 9.2 Porous Bioresorbable Polymers 269 9.3 Tissue Engineering 274 9.3.1 Biomedical Materials 274 9.3.2 Electrically Conducting Polymer 279 9.3.3 Bioactive Glass 280 9.3.4 Glass-based Coatings 287 9.3.5 Hard Tissue Implants 290 9.3.6 Membranes 294 9.3.7 Textile-based Technologies 295 9.3.8 Improvement of Cell Adhesion 296 9.3.9 Solvent Free Fabrication 297 9.3.10 Stereolithographic 3D Printing 298 9.3.11 Extrusion-Based 3D Printing 299 References 302 Index 307 Acronyms 307 Chemicals 311 General Index 315

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Book SynopsisThe current volume continues the tradition of the Organic Syntheses series, providing carefully checked and edited experimental procedures that describe important synthetic methods, transformations, reagents, and synthetic building blocks or intermediates with demonstrated utility in organic synthesis. These significant and interesting procedures should prove worthwhile to many synthetic chemists working in increasingly diverse areas. A trusted guide for professionals in organic and medicinal chemistry in academia, government, and industries, including pharmaceuticals, fine chemicals, agrochemicals, and biotechnological products.Table of ContentsDiscussion Addendum for: 4-Nonylbenzoic Acid 1Alois Fürstner Late-Stage Deoxyfluorination of Phenols with PhenoFluorMix 16Junting Chen and Tobias Ritter Nickel-Catalyzed Cross-Coupling of 2-Methoxynaphthalene with Methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate 36Yuki Kawashima, Takayuki Furukawa, Naoto Chatani and Mamoru Tobisu Discussion Addendum for: Lithium Amides as Homochiral Ammonia Equivalents for Conjugate Additions to α,β-Unsaturated Esters: Asymmetric Synthesis of (S)-β-Leucine 53Stephen G. Davies, Ai M. Fletcher, Paul M. Roberts, and James E. Thomson Synthesis of 2,3-Diaryl-2H-azirines via Cs2CO3-Mediated Cyclization of Ketoxime Acetates 66Mi-Na Zhao and Zheng-Hui Guan Discussion Addendum for: The Direct Acyl-Alkylation of Arynes. Preparation of Methyl 2- (2-acetylphenyl)acetate 80Austin C. Wright and Brian M. Stoltz Discussion Addendum for: Convenient Preparation of 3-Ethoxycarbonyl Benzofurans from Salicylaldehydes and Ethyl Diazoacetate 98Mizzanoor Rahaman and M. Mahmun Hossain Discussion Addendum for: Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Ethyl 6-Phenyl-1-tosyl-1,2,5,6-tetrahydropyridine-3-carboxylate 110Aslam C. Shaikh and Ohyun Kwon Discussion Addendum for: Protection of Alcohols using 2-Benzyloxy-1-methylpyridinium Trifluoromethanesulfonate: Methyl (R)-(-)-3-Benzyloxy-2-methyl Propanoate 124Harvey F. Fulo, Philip A. Albiniak, and Gregory B. Dudley Synthesis of 4-Methylbenzoate(2′,4′,6′-trimethoxy-phenyl)iodonium Tosylate 137Thomas L. Seidl, Aaron Moment, Charles Orella, Thomas Vickery, and David R. Stuart Gold-Catalyzed Oxidative Coupling of Arenes and Arylsilanes 150Chris Nottingham, Verity Barber, and Guy C. Lloyd-Jones Discussion Addendum for: Preparation of Enantioenriched Homoallylic Primary Amines 179Miguel Yus Discussion Addendum for: Synthesis of Ynamides by Copper-Mediated Coupling of 1,1-Dibromo-1-alkenes with Nitrogen Nucleophiles. Preparation of 4-Methyl-N-(2-phenylethynyl)-N-(phenylmethyl)benzenesulfonamide 195Cédric Theunissen, Pierre Thilmany, Mounsef Lahboubi, Nicolas Blanchard, and Gwilherm Evano Discussion Addendum for: Phosphine-Catalyzed [3 + 2] Annulation: Synthesis of Ethyl 5-(tert-Butyl)-2-phenyl-1-tosyl-3-pyrroline-3-carboxylate 214Aslam C. Shaikh and Ohuyn Kwon Discussion Addendum for: Synthesis of Highly Enantiomerically Enriched Amines by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl) Imines 232Miguel Yus Synthesis of Chiral Diamine Ligands for Nickel-catalyzed Asymmetric Cross-couplings of Alkylchloroboronate Esters with Alkylzincs: 1R,2R)-N,N’-Dimethyl-1,2-bis(2-methylphenyl)-1,2-diaminoethane 245Yusuke Masuda and Gregory C. Fu Preparation of 5-(Triisopropylalkynyl) dibenzo[b,d] thiophenium triflate 258Bernd Waldecker, Kevin Kafuta, and Manuel Alcarazo Three-Step Synthesis of 2-(Diiodomethyl)-4,4,5,5-tetramethyl- 1,3,2-dioxaborolane from Dichloromethane 277Morgane Sayes, Guillaume Benoit, and André B. Charette Discussion Addendum for: Allylic Oxidation Catalyzed by Dirhodium(II) Tetrakis[ε-caprolactamate] of tert-Butyldimethylsilylprotected trans-Dehydroandrosterone 300Yong-Liang Su, Luca De Angelis and Michael P. Doyle Preparation of (R)-3-(3,5-Bistrifluoromethylphenyl)-1,1’-bi-2-naphthol 312Yusuke Kobayashi, Atsushi Matsuda, Tomoya Ushimaru, and Toshiro Harada Catalytic Enantioselective Addition of an In-Situ Prepared Aryltitanium Reagent to p-Chloroacetophenone: (R)-(+)-1-(4-Chlorophenyl)-1-m-tolylethanol 333Yusuke Kobayashi, Atsushi Matsuda, Tomoya Ushimaru, and Toshiro Harada Stereoselective Synthesis of (R)-((R)-1-Phenyl-2,2,2-trichloroethyl)-2-(2-bromophenyl)aziridine-1-carboxylate 351Hélène Lebel and Henri Piras Discussion Addendum for: Preparation of (R,R)-1,2:4,5-Diepoxypentane 361Nicholas Sizemore and Scott D. Rychnovsky (R)-N,N’-Dimethyl-1,1’-binaphthyldiamine 382Scott E. Denmark and Pavel Ryabchuk Preparation of a Diisopropylselenophosphoramide Catalyst and its Use in Enantioselective Sulfenoetherification 400Scott E. Denmark, Pavel Ryabchuk, Hyung Min Chi, and Anastassia Matviitsuk anti-1,2,2,3,4,4-Hexamethylphosphetane 1-Oxide 418Trevor V. Nykaza, Julian C. Cooper, and Alexander T. Radosevich Facile Reduction of Amides Using Nickel Catalysis: Reduction of 12-Aminododecanolactam 436Bryan J. Simmons, Melissa Ramirez, and Neil K. Garg Preparation of 2,4,5,6-Tetra(9H-carbazol-9-yl)isophthalonitrile 455Saskia M. Engle, Takisha R. Kirkner, and Christopher B. Kelly Discussion Addendum for: Fluorobis(phenylsulfonyl)methane (FBSM) 474Xanath Ispizua-Rodriguez, Vinayak Krishnamurti, Mathew Coe, and G. K. Surya Prakash Synthesis of 5-Hydroxy-4-methoxy-2-methylpyrylium Trifluoromethanesulfonate from Kojic Acid 494Nana B. Agyemang and Ryan P. Murelli Iridium-Catalyzed Reductive Coupling of Grignard Reagents and Tertiary Amides 511Pablo Gabriel, Lan-Gui Xie, and Darren J. Dixon Synthesis of Chiral Tetramic Acids: Preparation of (S)-5-Benzylpyrrolidine-2,4-dione from L-Phenylalanine Methyl Ester Hydrochloride 528Kyle M. Lambert, Austin W. Medley, Amy C. Jackson, Lauren E. Markham, and John L. Wood Synthesis of 8-Hydroxygeraniol 586Francesca M. Ippoliti, Joyann S. Barber, and Neil K. Garg

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Book SynopsisA comprehensive overview of synthetic strategies for nonaromatic nitrogen heterocycles Nitrogen heterocycles are extremely widely distributed in nature, as well as in synthetic substances found in pharmaceuticals, agrochemicals, and materials chemistry. With new structures and medicines that include these structures emerging yearly, and a vast new journal literature to describe them, anyone who wants to be effective in R&D needs to easily access a synthesis of the latest research. This state-of-the-art survey explores recent developments in the most widely used reactions, as well as completely new ones. Highlights the major modern synthetic methods known to obtain nonaromatic nitrogen heterocycles, and their practical applicationsTopics include enantioselective synthesis and catalysis, photocatalysis, biocatalysis, microwave-assisted synthesis, reactions of oximes and nitrones, and ionic liquidsDiscusses how to synthesize rings of specific sizesCovers sustainable synthetic approaches for obtaining salts Whether you are using nonaromatic nitrogen compounds as an academic researcher, a synthetic chemist in industry, or an advanced student, this book is an essential, up-to-date resource to support your work.Table of ContentsList of Contributors Preface List of Common Abbreviations Chapter 1. Introduction Chapter 2. Recent Advances in the Synthesis of Aziridines Chapter 3. Synthesis of Four-Membered Aza-Heterocycles Through Catalytic [2+2] Cycloaddition Reactions Assisted by Metal Complexes Chapter 4. Therapeutic Potentials of β-Lactam: A Scaffold for New Drug Development Chapter 5. Progress in the Synthesis Of Chiral Nitrogen Heterocycles Mainly by Asymmetric [3+2] Cycloadditions Chapter 6. Synthesis of Five-Membered N-Heterocycles by Enantioselective, Metal-Catalyzed, Intramolecular, Hydroamination of Alkenes Chapter 7. Recent Advances in the Synthesis of Isoxazolidines Chapter 8. Recent Advances in the Stereoselective Synthesis of Pyrrolizidin-3-ones Chapter 9. Synthesis of Spirooxindoles by Multicomponent Reactions Chapter 10. Modern Catalytic, Enantioselective Approaches to Piperidines Chapter 11. Organocatalytic Enantioselective Dearomatization Reactions for the Synthesis of Nitrogen Heterocycles Chapter 12. Synthesis of Dihydroquinolines in the XXI Century Chapter 13. Asymmetric Aza-Diels–Alder Reaction–Application in the Synthesis of Natural Products Chapter 14. Synthesis of Saturated Nitrogen-Containing Heterocycles Through [5+2] Cycloadditions Chapter 15. Modern Methods for the Synthesis of 1,4-Oxazepanes and Their Oxo-Derivatives Chapter 16. Non-Aromatic Nitrogen Heterocycles Derived from Metal-Involving Reactions of Oximes Chapter 17. Metal-Catalyzed and Metal-Mediated Reactions of Nitrones Leading to Non-Aromatic Nitrogen Heterocyclic Systems Chapter 18. Recent Developments in the Chemical Synthesis of Amaryllidaceae Alkaloids Chapter 19. Enantioselective Synthesis of Nitrogen Heterocycles by Radical Reactions Chapter 20. Recent Applications of Microwave-assisted Cyclizations Promoted by Polyphosphoric Acid Esters to the Synthesis of Nitrogen Heterocycles Chapter 21. Biocatalysis Towards the Synthesis of Chiral Amines Chapter 22. Photocatalytic Synthesis of Nitrogen-Containing Heterocycles Chapter 23. Sustainable Synthetic Approaches for Nitrogen-Containing Heterocyclic Salts Chapter 24. Noncovalent Interactions in N-Heterocyclic Chemistry: Synthesis, Catalysis and Design of Materials

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Book SynopsisThis book aims to explore basic principles, concepts and applications of geochemistry. Topics include chemical weathering, impacts on living beings and water, geochemical cycles, oxidation and redox reactions in geochemistry, isotopes, analytical techniques, medicinal, inorganic, marine, atmospheric, and environmental applications, as well as case studies. This book helps in understanding the chemical composition of the earth and its applications. It also includes beneficial effects, bottlenecks, solutions, and future directions in geochemistry.Table of ContentsPreface xiii 1 Toxic Geogenic Contaminants in Serpentinitic Geological Systems: Occurrence, Behavior, Exposure Pathways, and Human Health Risks 1Willis Gwenzi 1.1 Introduction 2 1.2 Serpentinitic Geological Systems 4 1.2.1 Nature, Occurrence, and Geochemistry 4 1.2.2 Occurrence and Behavior of Toxic Contaminants 5 1.2.2.1 Chrysotile Asbestos 5 1.2.2.2 Toxic Metals 5 1.2.2.3 Rare Earth Elements 6 1.3 Human Exposure Pathways 7 1.3.1 Occupational Exposure 7 1.3.2 Non-Occupational Exposure Routes 7 1.3.2.1 Inhalation of Contaminated Particulates 7 1.3.2.2 Ingestion of Contaminated Geophagic Earths 8 1.3.2.3 Ingestion of Contaminated Drinking Water 8 1.3.2.4 Ingestion of Contaminated Medicinal Plants 8 1.3.2.5 Ingestion of Contaminated Wild Foods 9 1.4 Human Health Risks and Their Mitigation 10 1.4.1 Health Risks 10 1.4.1.1 Chrysotile Asbestos 10 1.4.1.2 Toxic Metals 11 1.4.1.3 Rare Earth Elements 11 1.4.2 Mitigating Human Exposure and Health Risks 12 1.4.2.1 Risk Analysis 12 1.4.2.2 Risk Evaluation 12 1.4.2.3 Risk Mitigation 13 1.4.2.4 Overview of Mitigation Interventions 13 1.5 Future Perspectives 13 1.6 Conclusions 14 Acknowledgements 15 References 15 2 Benefits of Geochemistry and Its Impact on Human Health 23Abel Inobeme, Charles Oluwaseun Adetunji, Muhammad Akram, Maliki Munirat, Inamuddin, Umme Laila, S.O. Okonkwo, Saher Islam and Jonathan Inobeme 2.1 Introduction 24 2.2 General Overview of Geochemistry and Human Health 25 2.2.1 Types of Geochemistry 26 2.2.2 Some Beneficial Effect of Some Mineral With Health Benefits 26 2.2.2.1 Magnesium 27 2.2.2.2 Manganese 27 2.2.2.3 Calcium 27 2.2.2.4 Cobalt 28 2.2.2.5 Copper 28 2.2.2.6 Zinc 29 2.2.2.7 Iron 29 2.2.2.8 Sodium 29 2.2.2.9 Arsenic 30 2.2.2.10 Chlorine 30 2.2.2.11 Iodine 30 2.2.2.12 Potassium 31 2.2.2.13 Fluoride 31 2.2.3 Application of Geochemistry on Human Health 32 2.3 Conclusion and Recommendations 33 References 34 3 Applications of Geochemistry in Livestock: Health and Nutritional Perspective 37Charles Oluwaseun Adetunji, J. Inobeme, Inamuddin, Muhammad Akram, A. Inobeme, Khuram Shahzad, Maliki Munirat, Saher Islam, Noshiza Majeed and S.O. Okonkwo 3.1 Introduction 38 3.2 General and Global Perspective About Geochemistry in Livestock 39 3.3 Types of Geochemistry and Their Numerous Benefits 41 3.3.1 Analytical Geochemistry 42 3.3.2 Isotope Geochemistry 43 3.3.3 Low Temperature Geochemistry 43 3.3.4 Organic and Petroleum Geochemistry 44 3.4 Application of Geochemistry in Livestock 44 3.5 Geochemistry and Animal Health 44 3.6 General Overview of Geochemistry in Livestock’s Merits of Geochemistry/Essential Minerals in Livestocks 45 3.6.1 Specific Examples of Authors That Have Used Essential Minerals in Livestock 47 3.6.2 Livestock in Relation to Geominerals 48 3.6.3 Trace Minerals Parallel Importance in Livestock 48 3.6.4 Heavy Metals Impact Livestock 49 3.7 Conclusion and Recommendations 50 References 51 4 Application in Geochemistry Toward the Achievement of a Sustainable Agricultural Science 57Muhammad Akram, Charles Oluwaseun Adetunji, S.O. Okonkwo, Inamuddin, Umme Laila, J. Inobeme, A. Inobeme, Saher Islam and Maliki Munirat 4.1 Introduction 58 4.2 General Overview on the Utilization of Geochemistry and Their Wide Application on Agriculture 59 4.2.1 Classification 60 4.2.2 Chemical Composition of Rocks 60 4.2.3 Effect of Some Beneficial Minerals in Agriculture 60 4.2.4 Beneficial Mineral Nutrients That are Crucial to the Development of Plants 62 4.2.4.1 Micronutrients 63 4.3 Role of Geochemistry in Agriculture 65 4.4 Geochemical Effects of Heavy Metals on Crops Health 65 4.5 Conclusion and Recommendations 69 References 69 5 Geochemistry, Extent of Pollution, and Ecological Impact of Heavy Metal Pollutants in Soil 73Abhiroop Chowdhury, Aliya Naz and Diksha Sharma 5.1 Introduction 74 5.2 Material and Methods 75 5.2.1 Review Process 75 5.2.2 Ecological Risk Index 75 5.3 Toxic Heavy Metal and Their Impact to the Ecosystems 76 5.3.1 Arsenic 76 5.3.2 Cadmium 77 5.3.3 Chromium 78 5.3.4 Copper 78 5.3.5 Lead 79 5.3.6 Nickel 79 5.3.7 Zinc 80 5.4 Metal Pollution in Soil Across the Globe 80 5.5 Ecological and Human Health Risk Impacts of Heavy Metals 85 5.6 Conclusion 87 References 87 6 Isotope Geochemistry 93Praveen Kumar Yadav, Amit Kumar Mauraya, Chinky Kochar, Lakhan Taneja and S. Swarupa Tripathy 6.1 Introduction 93 6.2 Basic Definitions 94 6.2.1 The Notation 94 6.2.2 The Fractionation Factor 95 6.2.3 Isotope Fractionation 95 6.2.3.1 Kinetic Isotope Fractionation 95 6.2.3.2 Equilibrium Isotope Fractionation 96 6.2.4 Mass Dependent and Independent Fractionations 97 6.3 Application of Traditional Isotopes in Geochemistry 98 6.3.1 Geothermometer 98 6.3.2 Isotopes in Biological System 98 6.3.2.1 Carbon (C) 99 6.3.2.2 Nitrogen (N) 100 6.3.3 Isotopes in Archaeology 100 6.3.4 Isotopes in Fossils and the Earliest Life 101 6.3.5 Isotopes in Hydrothermal and Ore Deposits 101 6.4 Non-Traditional Isotopes in Geochemistry 102 6.4.1 Application in Tracing of Source 102 6.4.2 Application in Process Tracing 103 6.4.3 Biological Cycling 104 6.5 Conclusion 105 References 105 7 Environmental Geochemistry 111Sapna Nehra, Rekha Sharma and Dinesh Kumar 7.1 Introduction 111 7.2 Overview of the Environmental Geochemistry 112 7.3 Conclusions 120 7.4 Abbreviations 121 Acknowledgment 121 References 121 8 Medical Geochemistry 127Hosam M. Saleh and Amal I. Hassan 8.1 Introduction 128 8.2 The Evolution of Geochemistry 129 8.3 This Science has Expanded Considerably to Become Distinct Branches 129 8.3.1 Cosmochemistry 131 8.3.2 The Economic Importance of Geochemistry 131 8.3.3 Analytical Geochemistry 132 8.3.4 Geochemistry of Radioisotopes 132 8.3.5 Medical Geochemistry and Human Health 134 8.3.6 Environmental Health and Safety 137 8.4 Conclusion 142 References 143 9 Inorganic Geochemistry 149Sathasivam Pratheep Kumar, Triveni Rajashekhar Mandlimath and M. Ramesh 9.1 Introduction 149 9.2 Elements and the Earth 150 9.2.1 Iron 150 9.2.2 Oxygen 151 9.2.3 Silicon 152 9.2.4 Magnesium 152 9.3 Geological Minerals 152 9.3.1 Quartz 152 9.3.2 Feldspar 153 9.3.3 Amphibole 153 9.3.4 Pyroxene 153 9.3.5 Olivine 153 9.3.6 Clay Minerals 153 9.3.7 Kaolinite 154 9.3.8 Bentonite, Montmorillonite, Vermiculite, and Biotite 154 9.4 Characterization Techniques 155 9.4.1 Powder X-Ray Diffraction 155 9.4.2 X-Ray Fluorescence Spectra 156 9.4.3 X-Ray Photoelectron Spectra 156 9.4.4 Electron Probe Micro-Analysis 156 9.4.5 Inductively Coupled Plasma Spectrometry 157 9.4.6 Fourier Transform Infrared Spectroscopy 157 9.4.7 Scanning Electron Microscopy Analysis 158 9.4.8 Energy Dispersive X-Ray Analysis 158 9.5 Conclusion 159 References 159 10 Introduction and Scope of Geochemistry 161Triveni Rajashekhar Mandlimath, Sathasivam Pratheep Kumar and M. Ramesh 10.1 Introduction 161 10.1.1 Periodic Table and Electronic Configuration 162 10.1.1.1 Periodic Table 162 10.1.1.2 Electronic Configuration 164 10.2 Periodic Properties 164 10.2.1 Ionization Enthalpy 164 10.2.2 Electron Affinity 165 10.2.3 Electro-Negativity 166 10.3 Chemical Bonding 166 10.3.1 Ionic Bond 166 10.3.2 Covalent Bond 166 10.3.3 Metallic Bond 167 10.3.4 Hydrogen Bond 167 10.3.5 Van der Waals Forces 167 10.4 Geochemical Classification and Distribution of Elements 167 10.4.1 Lithophiles 167 10.4.2 Siderophiles 168 10.4.3 Chalcophiles 169 10.4.4 Atmophiles 169 10.4.5 Biophiles 169 10.5 Chemical Composition of the Earth 169 10.6 Classification of Earth’s Layers 170 10.6.1 Based on Chemical Composition 170 10.6.2 Based on Physical Properties 170 10.7 Spheres of the Earth 171 10.7.1 Geosphere/Lithosphere 171 10.7.2 Hydrosphere 172 10.7.3 Biosphere 172 10.7.4 Atmosphere 172 10.7.5 Troposphere 173 10.7.6 Stratosphere 173 10.7.7 Mesosphere 174 10.7.8 Thermosphere and Ionosphere 174 10.7.9 Exosphere 174 10.8 Sub-Disciplines of Geochemistry 175 10.9 Scope of Geochemistry 175 10.10 Conclusion 176 References 176

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Book SynopsisExplore a comprehensive and illuminating introductory text to the science of solid materials from a leading voice in the field The newly revised Third Edition of Understanding Solids: The Science of Materials delivers a complete yet concise treatment of the basic properties and chemical and physical behaviors of solid materials. Following a completely revised opening set of chapters in which the basic properties of solidsincluding atomic structure, chemical bonding, crystallography, and phase relationshipsare discussed, the book goes on to describe new developments in the areas of batteries and fuel cells, perovskite solar cells, lighting and displays, nanoparticles, whiskers, and sheets. The distinguished author has also added sections about organic framework structures, superionic conductors, mechanochemistry, bi-layer graphene, hologram formation and recording, and the optics of nanoparticle arrays and thermochromic materials. Each chapter includes a Further Reading section to help students accumulate additional knowledge on the topic within and new problems have been added throughout the book. Readers will also enjoy the inclusion of: A thorough introduction to the states of aggregation, including atoms and bonding, microstructures and phase relationships, and crystal structures and defectsA comprehensive overview of different categories of solids, including metals, crystalline silicates, inorganic ceramics, and silicate glassesAn exploration of reactions and transformations, including diffusion and ionic conductivity, phase transformations, and phase reactionsA treatment of oxidation and reduction, including galvanic cells and chemical analysis Perfect for undergraduate students in sciences, engineering, and technology, Understanding Solids: The Science of Materials will also earn a place in the libraries of anyone seeking a thoroughly up to date, one-stop reference to the science of solid materials.Table of ContentsPreface xix Part I States of Aggregation 1 1 Atoms and Bonding 3 1.1 The Electron Structure of Atoms 3 1.1.1 Hydrogen 3 1.1.2 Many Electron Atoms 4 1.1.3 Orbital Shapes 6 1.1.4 Electron Spin and Electron Configuration 8 1.1.5 Atomic Energy Levels 9 1.2 Ionic Bonding 12 1.2.1 Ionic Size and Bonding 12 1.2.2 Lattice Energies 13 1.2.3 Atomistic Simulation 14 1.3 Covalent Bonding 15 1.3.1 Bond Geometry 15 1.3.2 Bond Energies 18 1.4 Metallic Bonding 21 1.4.1 Molecular Orbitals and Energy Bands 21 1.4.2 The Free Electron Gas 22 1.4.3 Energy Bands 24 1.4.4 Bands in Ionic and Covalent Solids 27 1.5 Weak Chemical Bonds 28 1.6 Computation of Material Properties 31 Further Reading 31 The Following References Expand the Material in this Chapter 31 A Dictionary of Quantum Mechanical Language and Expressions is 32 Ionic Radii are Discussed and Tabulated by 32 The Computation of Properties is Described in 32 Problems and Exercises 32 Calculations and Questions 34 2 Microstructures and Phase Relationships 37 2.1 Macrostructure, Microstructure, and Nanostructure 37 2.1.1 Crystalline Solids 37 2.1.2 Non-crystalline Solids 37 2.1.3 Partly Crystalline Solids 40 2.1.4 Nanoparticles and Nanostructures 40 2.2 The Development of Microstructures 43 2.2.1 Solidification 43 2.2.2 Processing 44 2.3 Phase Diagrams 45 2.3.1 One-Component (Unary) Systems 45 2.3.2 Two-Component (Binary) Systems 48 2.3.2.1 Simple Binary Diagrams: Nickel–Copper as an Example 48 2.3.2.2 Binary Systems Containing a Eutectic Point: Tin–Lead as an Example 49 2.3.2.3 Intermediate Phases 52 2.3.2.4 The Iron–Carbon System Close to Iron 52 2.4 Ternary Systems 54 References 57 Further Reading 58 Problems and Exercises 58 Calculations and Questions 60 3 Crystal Structures and Defects 65 3.1 Crystal Geometry 65 3.1.1 Crystal Systems 65 3.1.2 Crystal Lattices 66 3.1.3 Symmetry and Crystal Classes 68 3.2 Crystal Structures 69 3.2.1 Unit Cells and Atomic Coordinates 69 3.2.2 Crystal Structures 70 3.2.2.1 The Face-Centred Cubic (fcc, A1) Structure 70 3.2.2.2 The Body-Centred Cubic (bcc, A2) Structure 70 3.2.2.3 The Hexagonal Close-Packed (hcp, A3) Structure 70 3.2.2.4 The Diamond Structure 71 3.2.2.5 The Graphite Structure 71 3.2.2.6 The Halite (Rock Salt, Sodium Chloride) Structure 71 3.2.2.7 The Perovskite Structure 72 3.2.2.8 The Spinel Structure 72 3.2.2.9 Lattice Parameters and Vegard’s Law 74 3.3 Crystal Planes and Directions 74 3.3.1 Miller Indices 74 3.3.2 Hexagonal Crystals and Miller–Bravais Indices 76 3.3.3 Directions 78 3.3.4 Interplanar Spacings 79 3.4 Crystal Density 80 3.4.1 Density Estimation 80 3.4.2 The Density of NaCl 81 3.4.3 The Density of Crystals with a Variable Composition 81 3.5 Structural Relationships 82 3.5.1 Sphere Packing 82 3.5.2 Ionic Structures in Terms of Anion Packing 84 3.5.3 Polyhedral Representations 86 3.6 Point Defects 87 3.6.1 Point Defects in Crystals of the Elements 88 3.6.2 Solid Solutions 89 3.6.3 The Schottky and Frenkel Defects 90 3.6.4 Non-stoichiometric Compounds 91 3.6.5 Point Defect Notation 93 3.7 Linear, Planar, and Volume defects 95 3.7.1 Dislocations 95 3.7.2 Planar Defects 96 3.7.3 Volume Defects: Precipitates 99 Reference 99 Further Reading 100 Crystal Structures 100 Defects 100 Problems and Exercises 100 Calculations and Questions 102 4 Solids: Overview 109 4.1 Metals 109 4.1.1 Structures 109 4.1.2 Metallic Radii 110 4.1.3 Alloy Solid Solutions 112 4.1.4 Metallic Glasses and Quasicrystals 115 4.1.5 The Principal Properties of Metals 116 4.2 Crystalline Silicates and Inorganic Ceramic Materials 118 4.2.1 Silicate Structures 119 4.2.2 Some Non-silicate Ceramics 122 4.2.3 The Preparation and Processing of Ceramics 125 4.2.4 The Principal Properties of Ceramics 126 4.3 Silicate Glasses 126 4.3.1 Bonding and Structure of Silicate Glasses 127 4.3.2 Glass Deformation 129 4.3.3 Strengthened Glass 131 4.3.4 Glass-Ceramics 132 4.4 Polymers and Organic Materials 133 4.4.1 Polymers 133 4.4.2 Polymer Formation 134 4.4.3 Microstructures of Polymers 138 4.4.4 Elastomers 143 4.4.5 Production of Polymers 145 4.4.6 Organic Framework Structures: MOFs and COFs 148 4.4.7 The Principal Properties of Polymers 151 4.5 Composite Materials 152 4.5.1 Fibre-Reinforced Materials 152 4.5.2 Cement and Concrete 154 Reference 157 Further Reading 157 Metals 157 Bulk Metallic Glasses 157 Ceramics and Glass 157 Zeolites 157 Polymers 157 Metal-organic Frameworks 158 Covalent Organic Frameworks 158 Composites 158 Problems and Exercises 158 Calculations and Questions 160 Part II Reactions and Transformations 165 5 Diffusion and Ionic Conductivity 167 5.1 Self-Diffusion and Tracer Diffusion 167 5.2 Non-steady-state and Steady-State Diffusion 169 5.3 Temperature Variation of Diffusion Coefficient 171 5.4 The Effect of Impurities 171 5.5 RandomWalk Diffusion 171 5.6 Diffusion in Solids 175 5.7 Self-Diffusion in One Dimension 176 5.8 Self-Diffusion in Crystals 178 5.9 The Arrhenius Equation and Point Defects 178 5.10 Correlation Factors for Self-Diffusion 180 5.11 Ionic Conductivity 181 5.12 The Relationship Between Ionic Conductivity and Diffusion Coefficient 183 5.13 Superionic Conductors 184 5.13.1 Disordered Cation Compounds 184 5.13.2 β-Alumina Oxides 185 5.13.3 Stabilised Zirconia Oxides 188 5.13.4 NASICON-Related Crystals 188 References 189 Further Reading 189 Superionic Conductors: See Also References Therein 190 Problems and Exercises 190 Calculations and Questions 191 6 Phase Transformations and Reactions 195 6.1 Sintering 195 6.1.1 Sintering and Reaction 195 6.1.2 The Driving Force for Sintering 197 6.1.3 The Kinetics of Neck Growth and Grain Growth 198 6.1.4 Rapid Sintering 198 6.2 Phase Transitions 199 6.2.1 First-Order Phase Transitions 200 6.2.2 Second-Order Transitions 201 6.3 Displacive and Reconstructive Transitions 201 6.3.1 Displacive Transitions 201 6.3.2 Reconstructive Transitions 203 6.4 Order–Disorder Transitions 204 6.4.1 Positional Ordering 205 6.4.2 Orientational Ordering 205 6.5 Martensitic Transformations 206 6.5.1 The Austenite–Martensite Transition 207 6.5.2 Martensitic Transformations in Zirconia 210 6.5.3 Martensitic Transitions in Ni–Ti Alloys 211 6.5.4 Shape-Memory Alloys 212 6.6 Phase Diagrams and Microstructures 214 6.6.1 Equilibrium Solidification of Simple Binary Alloys 214 6.6.2 Non-equilibrium Solidification and Coring 214 6.6.3 Solidification in Systems Containing a Eutectic Point 216 6.6.4 Equilibrium Heat Treatment of Steel in the Fe–C Phase Diagram 218 6.7 High Temperature Oxidation of Metals 220 6.7.1 Direct Corrosion 220 6.7.2 The Rate of Oxidation 222 6.7.3 Oxide Film Microstructure 222 6.7.4 Film Growth via Diffusion 223 6.7.5 Alloys 225 6.8 Solid-State Reactions 225 6.8.1 Spinel Formation 225 6.8.2 Photoresists 227 6.8.3 Mechanochemistry 229 Further Reading 230 Sintering and 3D Printing 230 High Temperature Oxidation and Solid-State Reactions 230 For Mechanochemistry See 231 Problems and Exercises 231 Calculations and Questions 233 7 Oxidation and Reduction 239 7.1 Galvanic Cells 239 7.1.1 Cell Basics 239 7.1.2 Standard Electrode Potentials 241 7.1.3 Cell Potential, Gibbs Energy, and Concentration Dependence 243 7.2 Chemical Analysis Using Galvanic Cells 243 7.2.1 pH Meters 243 7.2.2 Ion Selective Electrodes 245 7.2.3 Oxygen Sensors 246 7.3 Batteries 247 7.3.1 Primary Batteries 248 7.3.1.1 ‘Dry’ and Alkaline Primary Batteries 248 7.3.1.2 Lithium-Ion Primary Batteries 249 7.3.1.3 Lithium–Air Batteries 249 7.3.2 Fuel Cells 250 7.3.3 Secondary Batteries 252 7.3.3.1 The Lead-Acid Battery 252 7.3.3.2 Lithium-Ion Batteries 253 7.3.3.3 Dual-Ion Batteries 254 7.4 Corrosion 255 7.4.1 The Reaction of Metals withWater and Aqueous Acids 256 7.4.2 Dissimilar Metal Corrosion 257 7.4.3 Single Metal Electrochemical Corrosion 259 7.5 Electrolysis 260 7.5.1 Electrolytic Cells 260 7.5.2 Electroplating 261 7.5.3 The Amount of Product Produced During Electrolysis 262 7.5.4 The Electrolytic Preparation of Titanium by the FFC Cambridge Process 263 7.6 Pourbaix Diagrams 264 7.6.1 Passivation, Corrosion, and Leaching 264 7.6.2 The Stability Field ofWater 265 7.6.3 Pourbaix Diagrams for a Metal Showing Two Valence States 265 7.6.4 Pourbaix Diagram Displaying Tendency for Corrosion 268 Reference 268 Further Reading 269 For a General Introduction to Electrochemistry See 269 Structure-property Relations and Defects in Electrode and Electrolyte Solids is Described in 269 Batteries 269 Solid Oxide Fuel Cells 269 Corrosion 270 Electroplating 270 Problems and Exercises 270 Calculations and Questions 271 Part III Physical Properties 275 8 Mechanical Properties of Solids 277 8.1 Strength and Hardness 277 8.1.1 Strength 277 8.1.2 Stress and Strain 278 8.1.3 Toughness and Stiffness 280 8.1.4 Superelasticity 282 8.1.5 Hardness 283 8.2 Elastic Moduli 285 8.2.1 Young’s Modulus (The Modulus of Elasticity) (E or Y) 286 8.2.2 Poisson’s Ratio (𝜈) 288 8.2.3 The Longitudinal or Axial Modulus (L or M) 289 8.2.4 The Shear Modulus (G or 𝜇), Bulk Modulus (K or B), and Lamé Modulus (𝜆) 289 8.2.5 Relationships Between the Elastic Moduli 290 8.2.6 UltrasonicWaves in Elastic Solids 290 8.3 Deformation and Fracture 291 8.3.1 Brittle Fracture 291 8.3.2 Plastic Deformation of Metals 294 8.3.3 Brittle and Ductile Materials 297 8.3.4 Plastic Deformation of Polymers 299 8.3.5 Fracture Following Plastic Deformation 299 8.3.6 Strengthening 301 8.3.7 Computation of Deformation and Fracture 303 8.4 Time-Dependent Properties 304 8.4.1 Fatigue 304 8.4.2 Creep 305 8.5 Nanoscale Properties 309 8.5.1 Solid Lubricants 309 8.5.2 Auxetic Materials 310 8.5.3 Thin Films and Nanowires 312 8.6 Composite Materials 315 8.6.1 Elastic Modulus of Fibre Reinforced Composites 315 8.6.2 Elastic Modulus of a Two-Phase System 316 Further Reading 318 Ductility and Fracture 318 Mechanical Properties of Biological Materials 318 Hall–Petch Effect 318 Computation of Properties 318 Finite Element Methods 319 Nanoscale Methods 319 Composites 319 Problems and Exercises 319 Calculations and Questions 321 9 Insulating Solids 327 9.1 Dielectrics 327 9.1.1 Relative Permittivity and Polarisation 327 9.1.2 Polarisability 330 9.1.3 The Relative Permittivity of Crystals 332 9.2 Piezoelectrics, Pyroelectrics, and Ferroelectrics 334 9.2.1 The Piezoelectric and Pyroelectric Effects 334 9.2.2 Crystal Symmetry and the Piezoelectric and Pyroelectric Effects 335 9.2.3 Piezoelectric Mechanisms 337 9.2.4 Quartz Oscillators 338 9.2.5 Piezoelectric Polymers and Biomolecular Materials 339 9.3 Ferroelectrics 342 9.3.1 Ferroelectric and Antiferroelectric Crystals 343 9.3.2 Hysteresis and Domain Growth in Ferroelectric Crystals 345 9.3.3 The Temperature Dependence of Ferroelectricity and Antiferroelectricity 347 9.3.4 Ferroelectricity Due to Hydrogen Bonds 347 9.3.5 Ferroelectricity Due to Polar Groups 349 9.3.6 Ferroelectricity Due to Medium-Sized Transition-Metal Cations 350 9.3.7 Modification of Properties 352 9.3.8 Relaxor Ferroelectrics 354 9.3.9 Ferroelectric Nanoparticles, Thin Films, and Superlattices 354 9.3.10 Flexoelectricity in Ferroelectrics 356 Reference 358 Flexoelectric Effect 358 Further Reading 358 General 358 Introductory Crystallography with Respect to the Dielectric Properties 358 The Dielectric, Piezoelectric and Ferroelectric Properties of Perovskite Structures are Detailed in 358 Biomolecular Materials are Described in 358 Nanoparticle, Thin Films and Superlattices 358 Problems and Exercises 359 Calculations and Questions 360 10 Magnetic Solids 365 10.1 Magnetic Materials 365 10.1.1 Characterisation of Magnetic Materials 365 10.1.2 Magnetic Dipoles and Magnetic Flux 366 10.1.3 Atomic Magnetism 368 10.1.4 Overview of Magnetic Materials 369 10.2 Paramagnetic Materials 372 10.2.1 The Magnetic Moment of Paramagnetic Atoms and Ions 372 10.2.2 High and Low Spin: Crystal Field Effects 373 10.2.3 Temperature Dependence of Paramagnetic Susceptibility 376 10.2.4 Pauli Paramagnetism 378 10.3 Ferromagnetic Materials 379 10.3.1 Ferromagnetism 379 10.3.2 Exchange Energy 380 10.3.3 Domains 382 10.3.4 Hysteresis 384 10.3.5 Hard and Soft Magnetic Materials 385 10.4 Antiferromagnetic Materials and Superexchange 386 10.5 Ferrimagnetic Materials 387 10.5.1 Cubic Spinel Ferrites 387 10.5.2 Garnet Structure Ferrites 388 10.5.3 Hexagonal Ferrites 389 10.5.4 Double Exchange 390 10.6 Nanostructures 391 10.6.1 Small Particles and Data Recording 391 10.6.2 Superparamagnetism and Thin Films 391 10.6.3 Perovskite Superlattices 392 10.6.4 Photoinduced Magnetism 393 10.7 Magnetic Defects 395 10.7.1 Magnetic Defects in Semiconductors 395 10.7.2 Charge and Spin States in Cobaltites and Manganites 396 Further Reading 399 General 399 Magnetic States 399 A Starting Point for the Detection of Magnetic Fields by Animals 400 Density Functional Theory Calculations of Magnetic Properties is Outlined by 400 Magnetic Superlattices 400 A Starting Point for Studies on Photomagnetism 400 Problems and Exercises 400 Calculations and Questions 402 11 Electronic Conductivity in Solids 405 11.1 Metals 405 11.1.1 Metals, Semiconductors, and Insulators 405 11.1.2 Electronic Conductivity 407 11.1.3 Resistivity 410 11.2 Semiconductors 411 11.2.1 Intrinsic Semiconductors 411 11.2.2 Band Gap Measurement 412 11.2.3 Extrinsic Semiconductors 413 11.2.4 Carrier Concentrations in Extrinsic Semiconductors 415 11.2.5 Characterisation 416 11.2.6 The p–n Junction Diode 419 11.3 Metal–Insulator Transitions 422 11.3.1 Metals and Insulators 422 11.3.2 Electron–Electron Repulsion 423 11.3.3 Modification of Insulators 425 11.3.4 Transparent Conducting Oxides 426 11.4 Conducting Polymers 427 11.5 Superconductivity 431 11.5.1 Superconductors 431 11.5.2 The Effect of Magnetic Fields and Current 432 11.5.3 The BCS Theory of Superconductivity 434 11.5.4 Josephson Junctions 435 11.5.5 Cuprate High Temperature Superconductors 437 11.5.5.1 Lanthanum Cuprate, La2CuO4 437 11.5.5.2 Neodymium Cuprate, Nd2CuO4 438 11.5.5.3 Yttrium Barium Copper Oxide, YBa2Cu3O7 439 11.5.5.4 Perovskite-Related Structures and Series 440 11.5.6 Bi-layer Graphene 444 11.6 Nanostructures and Quantum Confinement of Electrons 445 Further Reading 447 The Band Theory Definition of a Semiconductor is Due to A.H. Wilson 447 Conductivity of (Mainly) Inorganic Solids Due to Defects is Covered In 447 The Metal-Insulator Transition in VO2 447 Polymers 447 Superconductivity 447 The Following Articles in Scientific American Give a Good Overview of the Early Years of High Temperature Superconductivity 448 Graphene Bilayers 448 Quantum Hall Effect 448 Problems and Exercises 448 Calculations and Questions 450 12 Optical Aspects of Solids 455 12.1 Light 455 12.1.1 LightWaves 455 12.1.2 Photons 457 12.1.3 Colour and Appearance 459 12.2 Sources of Light 460 12.2.1 Incandescence 460 12.2.2 Luminescence 461 12.2.3 Fluorescent Lamps 463 12.2.4 Light Emitting Diodes (LEDs) 464 12.2.5 Organic Light Emitting Devices/Diodes (OLEDs) 467 12.2.6 Solid-State Lasers 469 12.2.6.1 The Ruby Laser: Three-Level Lasers 471 12.2.6.2 The Neodymium (Nd3+) Solid State Laser: Four-Level Lasers 473 12.2.6.3 Semiconductor Lasers 474 12.3 Refraction 474 12.3.1 The Refractive Index 474 12.3.2 Refractive Index and Structure 477 12.4 Reflection 477 12.4.1 Reflection from a Surface 477 12.4.2 Reflection from a Transparent Thin Film 478 12.4.3 Low-Reflectivity (Antireflection) and High-Reflectivity Coatings 482 12.4.4 Multiple Thin Films and Dielectric Mirrors 483 12.5 Scattering and Attenuation 483 12.5.1 Scattering 483 12.5.2 Attenuation 485 12.6 Diffraction 486 12.6.1 Diffraction by an Aperture 486 12.6.2 Diffraction Gratings 487 12.6.3 Diffraction from Crystal-like Structures 488 12.6.4 Holograms 490 12.6.4.1 Hologram Formation 490 12.6.4.2 Hologram Recording Media 492 12.7 Fibre Optics 493 12.7.1 Attenuation in Glass Fibres 493 12.7.2 Dispersion and Optical Fibre Design 494 12.7.3 Optical Amplification 496 12.8 Energy Conversion 496 12.8.1 Photoconductivity and Photovoltaic Solar Cells 496 12.8.2 Dye-Sensitised Solar Cells 497 12.8.3 Perovskite Solar Cells 499 12.9 Nanostructures 501 12.9.1 The Optical Properties of QuantumWells 502 12.9.2 The Optical Properties of Nanoparticles 502 12.9.3 Nanoparticle Arrays 504 Further Reading 506 General 506 Much of the Material in this Chapter is Covered in Greater Detail in 506 The Properties of Light with Respect to Colour are Found in 506 The Engineering Aspects of Optical Fibres are Described by 506 Perovskite Solar Cells are Described in 506 For Nanostructures and Surfaces See the Following Review Articles and References Therein 506 Problems and Exercises 507 Calculations and Questions 509 13 Thermal Properties of Solids 515 13.1 Heat Capacity 515 13.1.1 The Heat Capacity of a Solid 515 13.1.2 Theories of Heat Capacity 515 13.1.3 Heat Capacity at Phase Transitions 517 13.2 Thermal Conductivity 518 13.2.1 Heat Transfer 518 13.2.2 Thermal Conductivity and Microstructure 520 13.3 Expansion and Contraction 522 13.3.1 Thermal Expansion 522 13.3.2 Thermal Expansion and Interatomic Potentials 523 13.3.3 Thermal Contraction 524 13.3.4 Zero Thermal Contraction Materials 526 13.4 Thermoelectric Effects 527 13.4.1 Thermoelectric Coefficients 527 13.4.2 Thermoelectric Effects and Charge Carriers 529 13.4.3 The Seebeck Coefficient of Solids Containing Point Defect Populations 530 13.4.4 Thermocouples, Power Generation, and Refrigeration 531 13.5 The Magnetocaloric Effect 533 13.5.1 The Magnetocaloric Effect and Adiabatic Cooling 533 13.5.2 The Giant Magnetocaloric Effect 534 13.6 Thermochromic Effects 535 13.6.1 Liquid Crystal Display Thermometers 535 13.6.2 Vanadium Dioxide 537 References 537 Further Reading 538 General 538 An Interactive Demonstration of the Debye Formula for the Heat Capacity of Solids Is 538 Thermal Conductivity 538 Negative and Zero Thermal Expansion 538 The Magnetocaloric Effect in Alloys 538 Thermoelectric Materials 538 Problems and Exercises 539 Calculations and Questions 540 Part IV Nuclear Properties of Solids 543 14 Radioactivity and Nuclear Reactions 545 14.1 Radioactivity 545 14.1.1 Naturally Occurring Radioactive Elements 545 14.1.2 Isotopes and Nuclides 546 14.1.3 Nuclear Equations 546 14.1.4 Radioactive Series 547 14.1.4.1 The Uranium Series 547 14.1.4.2 The Thorium Series 548 14.1.4.3 The Actinium Series 548 14.1.4.4 The Neptunium/Plutonium Series 550 14.1.5 Nuclear Stability 550 14.2 Artificial Radioactive Atoms 551 14.2.1 Heavy Elements 551 14.2.2 Artificial Radioactivity in Light Elements 553 14.3 Nuclear Decay 554 14.3.1 The Rate of Nuclear Decay 554 14.3.2 Radioactive Dating 555 14.4 Nuclear Energy 557 14.4.1 The Binding Energy of Nuclides 557 14.4.2 Nuclear Fission 558 14.4.3 Thermal Reactors for Power Generation 560 14.4.4 Fuel for Space Exploration 561 14.4.5 Fast Breeder Reactors 561 14.4.6 Fusion and Solar Cycles 562 14.5 NuclearWaste 563 14.5.1 Nuclear Accidents 563 14.5.2 The Storage of NuclearWaste 564 Further Reading 565 The Search for New Heavy Elements 565 Radioactive Dating 565 Nuclear Reactors 566 NuclearWaste 566 Problems and Exercises 566 Calculations and Questions 568 Appendix A 571 Appendix B Energy Levels and Terms of Many-Electron Atoms 573 B.1 Derivation of Atomic Terms 573 B.2 The Ground State Term of an Atom 574 B.3 Energy Levels of Many Electron Atoms 575 Index 577

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Book SynopsisElectron Flow in Organic Chemistry Teaches students to solve problems in Organic Chemistry using methods of analysis that are valuable and portable to other fields Electron Flow in Organic Chemistry provides a unique decision-based approach that develops a chemical intuition based on a crosschecked analysis process. Assuming only a general background in chemistry, this acclaimed textbook teaches students how to write reasonable reaction mechanisms and use analytical tools to solve both simple and complex problems in organic chemistry. As in previous editions, the author breaks down challenging organic mechanisms into a limited number of core elemental mechanistic processes, the electron flow pathways, to explain all organic reactionsusing flow charts as decision maps, energy surfaces as problem space maps, and correlation matrices to display all possible interactions. The third edition features entirely new chapters on crosschecking chemical reactions throTable of Contents1 Bonding and Electron Distribution 1 2 the Process of Bond Formation 33 3 Proton Transfer and the Principles of Stability 57 4 Important Reaction Archetypes 83 5 Classification of Electron Sources 143 6 Classification of Electron Sinks 158 7 The Electron Flow Pathways 171 8 Interaction of Electron Sources and Sinks 207 9 Decisions, Decisions 245 10 Choosing the Most Probable Path 264 11 Cross-checks and Decision Boundaries 328 12 One Electron Processes 347 13 Qualitative Molecular Orbital Theory and Pericyclic Reactions 363 14 Organic Structure Elucidation Strategies 395 Appendix 418 A Bridge to Transition Metal Organometallics 452 Hints to Problems From Chapters 8, 9, 10, and 11 458 Solutions to Odd Numbered Problems 461 Index 552

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Book SynopsisTable of ContentsList of Contributors xiii Preface xvii 1 Biofuels: Classification, Conversion Technologies, Optimization Techniques and Applications 1 Sakthivel R, Abbhijith H, Harshini G V, Musunuri Shanmukha Vardhan and Krushna Prasad Shadangi 1.1 Introduction 2 1.2 Classification of Biofuels 5 1.2.1 First-Generation Biofuels 5 1.2.2 Second-Generation Biofuels 7 1.2.3 Third-Generation Algal Biofuels 9 1.3 Commonly Used Conversion Technologies 10 1.3.1 Gasification 10 1.3.1.1 Factors Influencing Gasification 12 1.3.2 Pyrolysis 13 1.3.2.1 Production of Bio-Oil from Pyrolysis 13 1.3.3 Hydrothermal Processes 15 1.3.3.1 Hydrothermal Carbonization 16 1.3.3.2 Hydrothermal Liquefaction 16 1.3.3.3 Hydrothermal Gasification 16 1.3.4 Transesterification 17 1.4 Commonly Used Optimization Techniques 19 1.4.1 Response Surface Methodology 19 1.4.2 Genetic Algorithm 22 1.5 Application of Biofuels in Transportation Sector 24 1.5.1 Automobile Sector 24 1.5.2 Aviation Sector 25 Conclusion 27 References 27 2 Technical Challenges and Prospects of Renewable Fuel Generation and Utilization at a Global Scale 31 Rajesh K. Srivastava 2.1 Introduction 32 2.2 Biofuel Synthesis 33 2.2.1 Biomass Energy 34 2.2.2 Biofuels 36 2.2.3 Biodiesel 39 2.3 Challenges for Bioenergy Generation 44 2.3.1 Operation Challenges in Biomass Energy Process 44 2.3.2 Economic Challenges in Biomass Energy Process 48 2.3.3 Social Challenges in Biomass Energy Processes 48 2.3.3.1 Conflicting Decision on Utility of Biomass Resources 48 2.3.3.2 Land Use Issue or Problems on Biomass Cultivation or Utilization 49 2.3.3.3 Environmental Impact of Biomass Resources 49 2.3.4 Policy and Regulatory Challenges for Biomass Energy Utility 49 2.4 Conclusions 50 Abbreviations 50 References 51 3 Engineered Microbial Systems for the Production of Fuels and Industrially Important Chemicals 59 Sushma Chauhan, Balasubramanian Velramar, Sneha Kumari, Anushri Keshri, Shalini Pandey, Shivam Pandey, Tanushree Baldeo Madavi, Vargobi Mukherjee, Meenakshi Jha and Pamidimarri D. V. N. Sudheer 3.1 Introduction 60 3.2 Microbial Systems for Biofuels and Chemicals Production 62 3.2.1 Microbial Systems for Genetic Engineering and Cellular Fabrication 64 3.2.2 Engineering of Microbial Cell Systems for Biofuels Production 65 3.2.2.1 Alcohols 65 3.2.3 Engineering of Microbial Cell Systems for Chemical Synthesis 73 3.2.3.1 Organic Acids 73 3.2.3.2 Fatty Alcohols 76 3.2.3.3 Bioplastic 77 3.3 Conclusions 78 References 87 4 Production of Biomethane and Its Perspective Conversion: An Overview 93 Rajesh K. Srivastava and Prakash Kumar Sarangi 4.1 Introduction 93 4.1.1 Sources of Methane 95 4.1.2 Methane from Human Activity 96 4.1.3 Impact of Methane on Climatic Change and Future 96 4.1.4 Advancements and Challenges 97 References 100 5 Microalgal Biomass Synthesized Biodiesel: A Viable Option to Conventional Fuel Energy in Biorefinery 105 Neha Bothra, P. Maniharika and Rajesh K. Srivastava 5.1 Introduction 106 5.2 Diesel 109 5.2.1 Biodiesel 112 5.3 Production of Biodiesel 113 5.3.1 Origin of Biofuels 113 5.3.2 Biodiesel Production from Algae 114 5.3.3 Intensity of Radiant Light 116 5.3.4 Lipid Content 117 5.3.5 Biomass Culturing Conditions 117 5.3.5.1 Temperature of Cultivation 118 5.3.5.2 pH of Cultivation 119 5.3.5.3 Duration Period of Light of Cultivation 119 5.3.5.4 Carbon Uptake of Cultivation 119 5.3.5.5 Oxygen Generation in Cultivation 119 5.3.5.6 Mixing Rates of Cultivation 120 5.3.5.7 Nutrient Uptake of Cultivation 120 5.4 Harvesting of Microalgae 120 5.4.1 Extraction of Oil 120 5.4.1.1 Varying n-Hexane to Algae Ratio 122 5.4.1.2 Varying the Algal Biomass Size 123 5.4.1.3 Varying Contact Time between n-Hexane and Algae Biomass 123 5.4.2 Transesterification 125 5.5 Conclusion 125 Abbreviations 125 References 126 6 Algae Biofuel Production Techniques: Recent Advancements 131 Trinath Biswal, Krushna Prasad Shadangi and Prakash Kumar Sarangi 6.1 Introduction 131 6.2 Technologies for Conversion if Algal Biofuels 133 6.2.1 Thermochemical Conversion of Microalgae Biomass into Biofuel 133 6.2.1.1 Gasification 133 6.2.1.2 Thermochemical Liquefaction 134 6.2.1.3 Pyrolysis 134 6.2.1.4 Direct Combustion 136 6.2.2 Biochemical Conversion 136 6.2.2.1 Anaerobic Digestion 138 6.2.2.2 Alcoholic Fermentation 139 6.2.2.3 Photobiological Hydrogen Production 139 6.3 Production of Biodiesel from Algal Biomass 140 6.3.1 Transesterification 141 6.4 Genetic Engineering Toward Biofuels Production 142 6.5 Summary 143 References 144 7 Technologies of Microalgae Biomass Cultivation for Bio-Fuel Production: Challenges and Benefits 147 Trinath Biswal, Krushna Prasad Shadangi and Prakash Kumar Sarangi 7.1 Introduction 148 7.2 Challenges Towards Algae Biofuel Technology 149 7.3 Biology Related with Algae 150 7.4 Algae Biofuels 153 7.5 Benefits of Microalgal Biofuels 154 7.6 Technologies for Production of Microalgae Biomass 160 7.6.1 Photoautotrophic Production 161 7.6.1.1 Open Pond Production Systems 161 7.6.1.2 Closed Photobioreactor Systems 163 7.6.1.3 Hybrid Production Systems 165 7.6.2 Heterotrophic Method Production 166 7.6.3 Mixotrophic Production 166 7.6.4 Photoheterotrophic Cultivation 168 7.7 Impact of Microalgae on the Environment 169 7.8 Advantages of Utilizing Microalgae Biomass for Biofuels 171 7.9 Conclusion 172 References 172 8 Agrowaste Lignin as Source of High Calorific Fuel and Fuel Additive 179 Harit Jha and Neha Namdeo 8.1 Agrowaste 179 8.2 Lignin 180 8.2.1 Structure of Lignin 181 8.2.2 Types of Lignin 183 8.2.3 Applications of Lignin 184 8.3 Lignin as Fuel 186 8.3.1 Bioethanol Production 189 8.3.2 Bio-Oil Production 191 8.3.3 Syngas Production 192 8.4 As Fuel Additive 192 8.5 Conclusion 193 References 194 9 Fly Ash Derived Catalyst for Biodiesel Production 203 Trinath Biswal, Krushna Prasad Shadangi and Prakash Kumar Sarangi 9.1 Introduction 204 9.2 Coal Fly Ash: Resources and Utilization 205 9.3 Composition of Coal Fly Ash 209 9.4 Economic Perspective of Biodiesel 212 9.5 Biodiesel from Fly Ash Derived Catalyst 214 9.5.1 Coal Fly Ash-Derived Sodalite as a Heterogeneous Catalyst 214 9.5.1.1 Zeolite Synthesis from Coal Fly Ash 215 9.5.1.2 Production of Biodiesel through Heterogeneous Transesterification 215 9.5.2 CaO/Fly Ash Catalyst for Transesterification of Palm Oil in Production of Biodiesel 216 9.5.2.1 Production of Biodiesel 217 9.5.2.2 Transesterification Reaction 218 9.5.3 Biodiesel Production Catalysed by Sulphated Fly-Ash 218 9.5.4 Composite Catalyst of Palm Mill Fly Ash-Supported Calcium Oxide (Eggshell Powder) 220 9.5.4.1 Preparation of the CaO/PMFA Catalyst 221 9.5.5 Kaliophilite-Fly Ash Based Catalyst for Production of Biodiesel 221 9.5.5.1 Synthesis of Kaliophilite 223 9.5.6 Fly-Ash Derived Zeolites for Production of Biodiesel 223 Conclusion 225 References 226 10 Emerging Biomaterials for Bone Joints Repairing in Knee Joint Arthroplasty: An Overview 233 Shankar Swarup Das 10.1 Introduction 234 10.2 Resources and Selecting Criteria 234 10.3 Reasons for Bone Defects of Tibia Plateau 235 10.4 Classification of Bone Defects of Medial Tibia Plateau 236 10.5 Different Biomaterials for Tibial Plateau Bone Defects 237 10.6 New Biomaterials to Repair Bone Defects in Tibia Plateau 243 10.7 Conclusion 244 References 245 About the Editor 253 Index 255

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Book SynopsisTable of ContentsPreface to the 3rd Edition xxi Acknowledgements xxiii Section I: Fundamentals 1 1 Introduction to Reverse Osmosis: History, Challenges, and Future Directions 3 1.1 Introduction 3 1.2 A Brief History of Reverse Osmosis 5 1.2.1 Early Development 5 1.2.2 Advances 1970s–1980s 10 1.2.3 Advances from 1990s through the Early 2000s 12 1.3 Challenges and Prospects 14 1.3.1 Membrane Materials Development 15 1.3.2 Modification of Element Construction for Ultra-High Pressure or High-Temperature Operation 17 1.3.2.1 Ultra-High Pressure Spiral Wound RO 17 1.3.2.2 High-Temperature Elements 18 1.3.3 Optimization of RO Element Feed Channel Spacer 19 1.3.4 Other Advances and Future Requirements 23 1.4 Summary 26 Symbols 26 Nomenclature 27 References 27 2 Principles and Terminology 33 2.1 Semipermeable Membranes 33 2.2 Osmosis 33 2.3 Reverse Osmosis 35 2.4 Basic Performance Parameters: Recovery, Rejection, and Flux 35 2.4.1 Recovery and Concentration Factor 35 2.4.2 Rejection 38 2.4.3 Flux 41 2.4.3.1 Water Flux 41 2.4.3.2 Solute Flux 43 2.5 Filtration 43 2.5.1 Dead-End Filtration 43 2.5.2 Cross-Flow Filtration 43 2.6 Concentration Polarization 45 Symbols 47 Nomenclature 48 References 48 3 Membranes: Transport Models, Characterization, and Elements 51 3.1 Membrane Transport Models 51 3.1.1 Solution-Diffusion Transport Model 52 3.1.2 Modified Solution-Diffusion Transport Models 55 3.1.2.1 Solution-Diffusion Imperfection Model 55 3.1.2.2 Extended Solution-Diffusion Model 56 3.1.3 Pore-Based Transport Models 56 3.1.4 Models Based on Non-Equilibrium Thermodynamics 57 3.2 Polymeric Membranes 57 3.2.1 Cellulose Acetate 57 3.2.2 Linear Polyamide (Aramids) 61 3.2.3 Fully Aromatic Polyamide Composite Membranes 63 3.2.3.1 NS-100 Membrane 64 3.2.3.2 FT-30 Composite Membrane 67 3.2.4 Characterization of CA and Composite Polyamide Membranes 73 3.2.4.1 Surface Roughness 73 3.2.4.2 Zeta Potential (Surface Charge) 76 3.2.4.3 Hydrophilicity 76 3.2.5 Other Membrane Polymers 78 3.3 Membrane Elements 80 3.3.1 Plate and Frame Elements 81 3.3.2 Tubular Elements 82 3.3.3 Hollow Fine Fiber Elements 83 3.3.4 Spiral Wound Elements 84 3.4 Specialty Membranes and Elements 91 3.4.1 Specialty Membranes 91 3.4.1.1 Dry Membranes 91 3.4.1.2 Boron-Rejecting Membranes 92 3.4.2 Specialty Elements 93 3.4.2.1 Sanitary Elements 93 3.4.2.2 Disc Tube Elements 94 3.4.2.3 Vibratory Shear Enhanced Processing (VSEP) Elements and System 94 3.4.2.4 Ultra-High Pressure and High Temperature Elements 95 Symbols 95 Nomenclature 96 References 97 Section II: System Design and Engineering 103 4 Basic Design Arrangements and Concentration Polarization Guidelines 105 4.1 Arrays and Stages 105 4.1.1 Recovery per System Array 106 4.1.2 Element-By-Element Flow and Quality Distribution 108 4.1.3 Flux Guidelines 109 4.1.4 Cross-Flow Velocity Guidelines for Array Design 111 4.1.5 Concentrate Recycle 112 4.2 Passes 113 Symbols 115 Nomenclature 115 References 115 5 RO System Design Using Design Software 117 5.1 RO System Design Guidelines 117 5.2 Step-by-Step Design—Sample Problem 118 5.2.1 Step 1—Water Flux 119 5.2.2 Step 2—Membrane Selection 119 5.2.3 Step 3—Number of Elements Required 119 5.2.4 Step 4—System Array 120 5.3 Design Software 121 5.3.1 Water Application Value Engine (WAVE)— DuPont Water Solutions 123 5.3.2 IMSDesign—Hydranautics 131 5.3.3 Q+ Projection Software LGChem 135 5.4 Optimum Design Result for the Sample Problem 140 Symbols 141 Nomenclature 141 References 142 6 Design Considerations 143 6.1 Feed Water Source and Quality 143 6.1.1 Feed Water Source 143 6.1.2 Feed Water Quality and Guidelines 145 6.1.3 pH 147 6.1.3.1 pH Profile Through an RO System— Alkalinity Relationships 148 6.1.3.2 pH and Membrane Scaling Potential 148 6.1.3.3 pH Effects on Solute Rejection and Water Permeability 149 6.2 System Operations 149 6.2.1 Pressure 149 6.2.2 Compaction 151 6.2.3 Temperature 155 6.2.4 Balancing Flows 156 6.2.5 Designing for Variable Flow Demand 157 6.3 Existing RO System Design Considerations 157 6.3.1 Changing Membranes 157 6.3.1.1 Changing Membrane Area 158 6.3.1.2 Changing Membrane Types 158 6.3.1.3 Mixing Membrane Types 158 6.3.2 Increasing Recovery 159 6.3.3 Changing Feed Water Sources 160 6.3.4 Reducing Permeate Flow 161 Symbols 161 Nomenclature 161 References 162 7 RO Equipment 163 7.1 Basic RO Skid Components 163 7.1.1 Cartridge Filters 164 7.1.2 High Pressure Feed Pump 172 7.1.3 Pressure Vessels 177 7.2 Skid Design Considerations 181 7.2.1 Piping Materials of Construction 181 7.2.2 Feed Distribution Headers 183 7.2.3 Stage-by-Stage Cleaning 184 7.2.4 Sampling and Profiling/Probing Connections 187 7.2.5 Instrumentation 188 7.2.6 Controls and Data Acquisition/Analysis 193 7.2.6.1 System Control 193 7.2.6.2 Data Acquisition and Analysis 194 7.2.7 Designs for Variable Permeate Flow Demand 195 7.3 Energy Recovery Devices (ERDs) 196 7.3.1 ERD Types 196 7.3.2 ERD Applications for RO 197 7.3.2.1 Single-Stage RO 197 7.3.2.2 Multi-Stage RO 197 7.4 Clean-In-Place (CIP) Equipment 200 7.5 Mobile RO Equipment 203 Symbols 205 Nomenclature 205 References 206 Section III: Membrane Deposition and Degradation: Causes, Effects, and Mitigation via Pretreatment and Operations 207 8 Membrane Scaling 211 8.1 What is Membrane Scale? 211 8.2 Effects of Scale on Membrane Performance 212 8.3 Hardness Scales 215 8.3.1 Types of Hardness Scale 215 8.3.1.1 Carbonate-Based Hardness Scales 215 8.3.1.2 Sulfate-Based Hardness Scales 216 8.3.1.3 Other Calcium Scales: Calcium Phosphate and Calcium Fluoride 218 8.3.2 Mitigation of Hardness Scales 219 8.3.2.1 Chemical Pretreatment—Acid and Antiscalant Dosing 220 8.3.2.2 Non-Chemical Pretreatment—Sodium Softening and Nanofiltration 221 8.3.2.3 Operational Techniques—Flushing, Reverse Flow, and Closed Circuit Desalination 225 8.4 Silica Scale 226 8.4.1 Forms and Reactions of Silica 227 8.4.2 Factors Affecting Silica Scale Formation 228 8.4.3 Mitigation of Silica Scale 232 8.5 Struvite 236 8.5.1 What is Struvite? 236 8.5.2 Mitigation of Struvite 238 8.6 Scaling Mitigation Guidelines—Summary 239 Symbols 240 Nomenclature 240 References 240 9 Generalized Membrane Fouling 249 9.1 What is Membrane Fouling? 249 9.2 Classification and Measurement of Potential Foulants 250 9.2.1 Settleable and Supra-Colloidal Particulates 251 9.2.2 Colloids 252 9.2.2.1 Measurement of Colloids for RO Applications—Silt Density Index (SDI15) 252 9.2.2.2 Measure of Colloids—Modified Fouling Indices 255 9.2.2.3 Summary of Colloidal Fouling Indices 257 9.2.3 Natural Organic Material (NOM) 257 9.2.4 Other Organics 259 9.2.5 Other Foulants: Cationic Coagulants and Surfactants, and Silicone-Based Antifoams 259 9.2.6 Metals: Aluminum, Iron, Manganese, and Sulfur 259 9.2.6.1 Aluminum 259 9.2.6.2 Iron and Manganese 261 9.2.6.3 Hydrogen Sulfide 262 9.3 Effects of Fouling on Membrane Performance 265 9.3.1 Effects of Inorganic Foulants 266 9.3.1.1 Fouling with Larger Settleable and Supra-Colloidal Solids 266 9.3.1.2 Cake Layer Surface Fouling with Colloids 266 9.3.1.3 Feed Channel Fouling 268 9.3.1.4 Summary of Fouling Effects of Inorganic Particulates and Colloids 271 9.3.2 Effects of NOM and Other Organics 273 9.3.2.1 Effects of NOM—Humic Acids 273 9.3.2.2 Effects of Hydrocarbons 276 9.3.2.3 Effects of Cationic Coagulants and Surfactants 278 9.3.2.4 Summary of the Effects of Organic Surfactant and Antifoam Fouling on Membrane Performance 279 9.4 Pretreatment to Minimize Membrane Fouling 279 9.4.1 Primary Pretreatment—Clarification for Colloids and Organics (NOM) Removal 280 9.4.1.1 Coagulation 280 9.4.1.2 Flocculation 283 9.4.2 Pressure Filtration: Particles, SDI15 , and Organics Removal 283 9.4.2.1 Multimedia Pressure Filters: Suspended Solids Removal 283 9.4.2.2 Catalytic Filters: Soluble Iron, Manganese, and Hydrogen Sulfide Removal 287 9.4.2.3 Carbon Filters: TOC Removal 292 9.4.2.4 Walnut Shell Filters: Hydrocarbon Oil Removal 296 9.4.2.5 Cartridge Filters: What is Their Purpose? 299 9.4.3 Membrane Filtration Turbidity, SDI 15 , and Metal Hydroxide Removal 300 9.4.3.1 Membrane Materials and Elements 301 9.4.3.2 Membrane Filtration Operations— Polymeric Membranes 306 9.4.3.3 Membrane Filtration as Pretreatment for RO 311 9.4.4 Nanofiltration (NF): Organics and Color Removal 321 9.5 Feed Water Quality Guidelines to Minimize Membrane Fouling 323 Symbols 324 Nomenclature 324 References 326 10 RO Membrane Biofouling 335 10.1 What is RO Membrane Biofouling? 335 10.2 Factors Affecting Membrane Biofouling 339 10.2.1 Polyamide RO Membrane Characteristics 339 10.2.1.1 Membrane Surface Roughness 339 10.2.1.2 Surface Charge and Zeta Potential 339 10.2.1.3 Membrane Hydrophilicity 339 10.2.2 Feed Water Matrix 340 10.2.2.1 Concentration of Microorganisms and Nutrients 340 10.2.2.2 Feed Water Ionic Strength and pH 341 10.2.2.3 Pretreatment Antiscalants 341 10.2.2.4 Feed Water Organic Concentration and Fouling 341 10.2.3 RO System Hydrodynamics 341 10.3 Effects of Biofouling on Membrane Performance 342 10.3.1 Scale Formation 342 10.3.2 Hydrodynamic Effects on Performance 342 10.4 Measurement of Biofouling 343 10.4.1 Predictive Techniques 343 10.4.1.1 Assimilable Organic Carbon (AOC) 343 10.4.1.2 Adenosine Triphosphate (ATP) and the Biofilm Formation Rate (BFR) 344 10.4.2 Plate Counts 344 10.4.2.1 Heterotrophic Plate Counts (HPC) 344 10.4.2.2 Total Direct Counts (TDC) 345 10.5 Mitigation Techniques 345 10.5.1 Pretreatment 346 10.5.1.1 Reduction of Feed Water Nutrients and Microorganisms 346 10.5.2 Disinfection 348 10.5.2.1 Physiochemical Disinfection Method— Ultraviolet (UV) Light 348 10.5.2.2 Chemical Disinfection—Oxidizing Biocides 353 10.5.2.3 Chemical Disinfection—Non-Oxidizing Biocide 368 10.5.2.4 Biocides Not Recommended for Use with Polyamide RO Membranes 370 10.5.2.5 Chemical Disinfection—Prospective Biocides for RO 370 10.5.3 Membrane Cleaning for Biofouling Removal 373 10.5.4 Membrane “Sterilization” 375 10.5.5 Biocide Flushing 375 10.6 Biofouling and Mitigation Summary 376 Symbols 378 Nomenclature 378 References 379 11 Membrane Degradation 387 11.1 Chemical Degradation 388 11.1.1 Polyamide Layer Degradation—Oxidation 388 11.1.1.1 Chlorine 388 11.1.1.2 Chloramine 396 11.1.1.3 Chlorine Dioxide 398 11.1.2 Polysulfone Support Layer Degradation 400 11.1.3 Polyester Fabric Degradation—Hydrolysis 402 11.1.4 Prevention of Chemical Damage 402 11.1.4.1 Removal of Oxidizers 402 11.1.4.2 Protection of Membrane Support Layers 404 11.2 Mechanical Damage 404 11.2.1 Physical Membrane Damage Due to Abrasion 404 11.2.2 Physical Membrane Damage Resulting from Operational Factors 407 Symbols 412 Nomenclature 412 References 412 Section IV: System Monitoring, Normalization, and Troubleshooting 417 12 Data Collection and Normalization 419 12.1 Data Collection 419 12.2 Data Normalization 422 Symbols 427 Subscripts 428 Nomenclature 428 References 428 13 Membrane Issues and Troubleshooting 431 13.1 Observed Performance Issues 432 13.1.1 High Permeate Solute Concentration 432 13.1.1.1 Increase in Feed Water Concentration of Ions 433 13.1.1.2 Hardness Scaling 433 13.1.1.3 Membrane Damage 434 13.1.1.4 Temperature Increase/Pressure Decrease 435 13.1.1.5 System Operations and Mechanical Issues 438 13.1.2 Changes in Permeate Flow 439 13.1.3 Changes in Feed Pressure 439 13.1.4 High Differential Pressure 440 13.2 Common Causes of Performance Failures 445 13.2.1 Mechanical Failures 445 13.2.2 RO Equipment Design 445 13.2.3 Operational Problems 446 13.2.4 Feed Water Quality Issues 446 13.2.5 Membrane Issues 446 13.3 Troubleshooting Techniques 447 13.3.1 Mechanical Inspection 447 13.3.2 Cartridge Filter Inspection 447 13.3.3 Water Analyses 448 13.3.4 RO Projections 449 13.3.5 Profiling and Probing 449 13.3.5.1 Profiling 449 13.3.5.2 Probing 452 13.3.6 Normalized Data Analysis 455 13.3.7 Autopsy 457 13.3.7.1 Visual Inspection—External 458 13.3.7.2 Visual Inspection—Internal 459 Symbols 471 Nomenclature 471 References 472 Section V: Off-Line Activities: Membrane Cleaning, Flushing, and Layup 475 14 Membrane Cleaning 477 14.1 When to Clean 478 14.2 Cleaning Chemicals 479 14.2.1 High pH Cleaning 480 14.2.2 Low pH Cleaning 481 14.3 Cleaning Equipment Design 483 14.3.1 Design of the RO Skid for Effective Cleaning 483 14.3.2 Design of the Cleaning Skid 484 14.3.2.1 Cleaning Tank 484 14.3.2.2 Cartridge Filters 486 14.3.2.3 Cleaning Pump 486 14.4 Cleaning Techniques 487 14.4.1 Conventional Cleaning 487 14.4.2 Two-Phase Cleaning 489 14.4.3 Reverse Cleaning 490 14.4.4 Preventative Cleaning 490 14.4.4.1 Extrapolative Preventative Cleaning 491 14.4.4.2 Direct-Osmosis High-Salinity (DO-HS) On-Line Cleaning Technique 491 14.5 Determining the Efficacy of Cleaning 493 14.6 Clean-In-Place (CIP) Versus Offsite Cleaning 494 14.6.1 CIP 494 14.6.2 Off-Site Cleaning 494 14.7 Membrane Disinfection 495 14.7.1 Hydrogen Peroxide/Peroxyacetic Acid 495 14.7.2 Non-Oxidizing Biocides 497 14.7.2.1 DBNPA 497 14.7.2.2 Isothiazolones—CMIT/MIT 499 14.7.2.3 Other Non-Oxidizing Biocides 500 Symbols 500 Nomenclature 500 References 501 15 Controlling Off-Line Membrane Deposition via Flushing and Layup 505 15.1 Membrane Flushing 505 15.1.1 End of Service Flush 506 15.1.2 Stand-By Flush 506 15.1.3 Return to Service Flush 507 15.2 Membrane Layup 508 15.2.1 Short-Term Layup 508 15.2.2 Long-Term Layup 508 15.2.2.1 Sodium Metabisulfite (SMBS) 508 15.2.2.2 DBNPA 510 15.2.2.3 CMIT/MIT 510 15.3 Membrane Preservation 510 Nomenclature 512 References 512 Section VI: Sustainability and Future Prospects 515 16 Concentrate Management 517 16.1 Discharge 517 16.1.1 Discharge to Surface Waters 517 16.1.2 Discharge to Sewer 518 16.1.3 Discharge to On-Site Treatment Facility 518 16.1.4 Deep Well Injection 518 16.2 Land Application 519 16.2.1 Irrigation 519 16.2.2 Evaporation Ponds 519 16.3 Reuse 519 16.3.1 Direct Reuse 520 16.3.1.1 Wash Down Systems 520 16.3.1.2 Cooling Tower Make-Up 520 16.3.2 Treated Concentrate for Reuse—Brine Minimization 520 16.3.2.1 Recovery RO Systems 520 16.3.2.2 Zero Liquid Discharge (ZLD) 522 16.4 Off-Site Disposal 523 16.5 Emerging Technologies for Concentrate Management 523 16.5.1 Membrane Distillation (MD) 524 16.5.2 Forward Osmosis (FO) 526 Symbols 529 Nomenclature 529 References 529 17 High-Recovery Reverse Osmosis 531 17.1 Single-Step High Recovery Processes 531 17.1.1 Closed Circuit RO (CCRO) 531 17.1.1.1 Managing Scale Formation 533 17.1.1.2 Managing Membrane Fouling 535 17.1.1.3 Energy Savings 536 17.1.2 Osmotically-Assisted RO (OARO) 538 17.1.3 Pulse Flow RO (PFRO ™) 542 17.1.4 Feed Flow Reversal (FFR) 545 17.2 Enhanced High Recovery Processes with Interstage Solute Precipitation 548 17.2.1 Intermediate Concentrate Demineralization (ICD) 549 17.2.2 Accelerated Seeded Precipitation (ASP) 551 17.3 Multi-Step High Recovery Membrane Processes 552 17.3.1 Toward Zero Liquid Discharge (ZLD) 552 17.3.2 Challenging Waters and Wastewaters 553 17.3.3 Commercialized Multi-Step, High-Recovery RO Processes 553 17.3.3.1 Optimized Pretreatment and Unique Separation (OPUS®) 554 17.3.3.2 High Efficiency Reverse Osmosis (HERO®) 556 Symbols 558 Nomenclature 558 References 559 18 New and Alternative Membrane Materials For Sustainability 565 18.1 Specific Requirements to Improve Sustainability 566 18.1.1 Membrane Performance 566 18.1.2 Fouling Resistance 568 18.1.3 Chlorine (Oxidant) Tolerance 570 18.1.4 Energy-Water Nexus 570 18.2 Membrane Materials to Meet RO Demineralization Challenges 571 18.2.1 Modification of Polyamide Interfacial Polymerization (IP) Preparation Chemistries and Techniques 572 18.2.2 Membrane Surface Modifications 575 18.2.3 Nanotechnology and Nanoparticle Membranes 578 18.2.3.1 Carbon Nanotube (CNT) Nanocomposite Membranes 578 18.2.3.2 Thin Film Nanoparticle (TFN) Membranes 584 18.2.4 Graphene Oxide (GO)-Based Membranes 586 18.2.5 Biomimetic Aquaporin Membranes 591 Symbols 594 Nomenclature 594 References 595 Index 601

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Book SynopsisTable of ContentsPreface xxi Acknowledgement xxiii Table of Abbreviations xxv Table of Symbols xxvii List of Figures xxix List of Tables xxxiii List of Chemicals and Respective Molecular Weight xxxv 1 Air, Water and Soil: An Environmental Perspective 1 1.1 Introduction 1 1.2 Air 2 1.2.1 Composition of Air 2 1.2.2 Air Pollution 3 1.2.3 Air Pollutants 3 1.2.4 Adverse Effect of Contaminants 5 1.3 Water 6 1.3.1 Properties of Water Molecule 6 1.3.2 Global Significance of Water 8 1.3.3 Environmental Monitoring 9 1.3.4 Water Quality Assessment in Recycling 10 1.3.5 Wastewater Treatment Plant 10 1.3.6 Working of Sewage Treatment Plant 11 1.4 Soil 12 1.4.1 Importance of Soil 13 1.4.2 Types of Soil 13 1.4.3 Soil Pollution 14 1.4.4 Types of Soil Pollution 14 1.4.5 Anthropogenic Activities 15 1.4.6 Health Effects 16 1.4.7 Ecosystem Effects 16 1.4.8 Methods to Reduce Soil Pollution 17 References 18 2 Determination of Physical Properties of Environmental Samples 21 2.1 Introduction 21 2.2 Determination of Specific Gravity or Density in the Given Water Sample 22 2.2.1 Principle 22 2.2.2 Material Required 25 2.2.3 Procedure for Specific Gravity Measurements Using Pycnometer/Volumetric Flask 26 2.2.4 Observation Table 26 2.2.4.1 Measurement of Specific Gravity of Water Sample 26 2.2.4.2 Readings of Pycnometer 26 2.2.5 Calculations 27 2.2.6 Results 27 2.2.7 Notes 27 2.3 Determination of Turbidity of Given Water Sample 28 2.3.1 Principle 28 2.3.2 Nephelometric Method 28 2.3.3 Material Required 29 2.3.4 Procedure 30 2.3.5 Standard Curve 30 2.3.6 Calculation 31 2.3.7 Note 31 2.4 Determination of Total Suspended Solids 31 2.4.1 Principle 31 2.4.2 Material Required 32 2.4.3 Procedure 32 2.4.4 Observation 33 2.4.5 Observation Table 33 2.4.6 Calculation 34 2.4.7 Results 34 2.4.8 Notes 34 2.5 Determination of Total Dissolved Solids 34 2.5.1 Principle 34 2.5.2 Material Required 35 2.5.3 Procedure 36 2.5.4 Observations Table 36 2.5.5 Calculation 36 2.5.6 Result 36 2.5.7 Notes 37 2.6 Determination of the Moisture Content of Soil 37 2.6.1 Principle 37 2.6.2 Material Required 37 2.6.3 Procedure 38 2.6.4 Observation 38 2.6.5 Calculations 38 2.6.6 Result 38 2.7 Determination of pH Using Universal Indicator 39 2.7.1 Principle 39 2.7.2 pH of Natural Water Bodies 40 2.7.3 Effects of pH Variation on Aquatic Life 40 2.7.4 Universal Indicator 40 2.7.5 Dyes 40 2.7.5.1 Methyl Orange 40 2.7.5.2 Methyl Red 41 2.7.5.3 Bromothymol Blue 41 2.7.5.4 Phenolphthalein 42 2.7.6 Material Required 43 2.7.7 Reagents Preparations 43 2.7.8 Procedure 43 2.7.9 Observations 43 2.7.10 Results 44 2.7.11 Notes 44 2.8 pH Determination by Using pH Meter 45 2.8.1 Principle 45 2.8.2 Material Required 47 2.8.3 Reagent Preparation 47 2.8.4 Procedures 48 2.8.5 Result 48 2.8.6 Notes 48 2.9 pH Determination of Soil 48 2.9.1 Principle 48 2.9.2 Materials Required 49 2.9.3 Procedure 49 2.9.4 Observation 50 2.9.5 Results 50 2.10 Determination of pH of Soil by Using pH Meter 50 2.10.1 Principle 50 2.10.2 Material Required 50 2.10.3 Procedure 50 2.10.4 Result 51 2.11 Determination of pH of Soil by Using Universal Indicator 51 2.11.1 Principle 51 2.11.2 Reagent Preparation 51 2.11.3 Procedure 52 2.11.4 Observation Table 52 2.12 Determination of Conductivity of Water 53 2.12.1 Principle 53 2.12.2 Calibration of the Instrument 54 2.12.3 Reagent Preparation 54 2.12.4 Steps to be Followed for Calibration 54 2.12.5 Notes 55 References 55 3 Analysis of Organic Matter in Environmental Samples 61 3.1 Introduction 61 3.2 Determination of the Organic Content in Soil 62 3.2.1 Principle 62 3.2.2 Material Required 63 3.2.3 Reagent Preparation 63 3.2.4 Procedure 63 3.2.5 Observation Table 64 3.2.6 Calculations 64 3.2.7 Notes 65 3.3 Determination of Cation Exchange Capacity (CEC) of Soil 65 3.3.1 Principle 65 3.3.2 Importance of CEC 66 3.3.3 Material Required 66 3.3.4 Reagent Preparation 66 3.3.5 Procedure 66 3.3.6 Calculations 67 3.3.7 Note 67 3.4 Rapid Method for the Determination of Cation Exchange Capacity (CEC) of Soil 68 3.4.1 Material Required 68 3.4.2 Reagent Preparation 68 3.4.3 Procedure 68 3.4.4 Calculations 69 3.4.5 Notes 69 3.5 Determination of Biological Oxygen Demand (BOD) by Winkler’s Method 69 3.5.1 Principle 69 3.5.2 Material Required 71 3.5.3 Reagents Preparation 71 3.5.4 Procedure 71 3.5.5 Observation Table 72 3.5.5.1 Dissolved Oxygen Initial or DO 0 72 3.5.5.2 Dissolved Oxygen After 5 Days or DO 5 72 3.5.6 Calculation 73 3.5.7 Result 73 3.5.8 Notes 73 3.6 Determination of Biological Oxygen Demand by Dilution/Seeding Method 74 3.6.1 Material Required 74 3.6.2 Reagent Preparation 75 3.6.3 Sample Preparation 76 3.6.4 Procedure 76 3.6.5 Observations 77 3.6.6 Observations Table 78 3.6.6.1 Dissolved Oxygen Initial or DO 0 78 3.6.6.2 Dissolved Oxygen After 5 Days or DO 5 78 3.6.7 Calculations 78 3.6.8 Result 79 3.6.9 Note 79 3.7 Determination of Chemical Oxygen Demand by Potassium Permanganate Method 79 3.7.1 Principle 79 3.7.2 Material Required 80 3.7.3 Reagent Preparation 80 3.7.4 Procedure 81 3.7.5 Observation Table 81 3.7.6 Calculations 81 3.7.7 Result 82 3.7.8 Notes 82 3.8 Determination of Chemical Oxygen Demand for Sewage Waste (Samples that do not contain Chloride, Nitrate, Aliphatic and Aromatic Compounds) 82 3.8.1 Principle 82 3.8.2 Material Required 82 3.8.3 Reagent Preparation 82 3.8.4 Procedure 83 3.8.5 Observation Table 83 3.8.6 Calculations 83 3.8.7 Result 84 3.8.8 Notes 84 3.9 Determination of Chemical Oxygen Demand for Toxic Organic Waste Sample That Contains Chloride, Nitrate, Aliphatic and Aromatic Compounds 84 3.9.1 Principle 84 3.9.2 Material Required 84 3.9.3 Procedure 85 3.9.4 Observation 85 3.9.5 Observations Table 86 3.9.6 Calculations 86 3.9.7 Result 86 3.9.8 Note 86 References 86 4 Spectrophotometric and Titrimetric Methods for Determination of Anions 91 4.1 Introduction 91 4.2 Determination of Sulphate Content for the Given Water Samples 92 4.2.1 Principle 92 4.2.2 Acid Rain 93 4.2.3 Problems Caused by Sulphur 93 4.2.4 Spectrophotometric Method 93 4.2.5 Material Required 94 4.2.6 Reagent Preparation 94 4.2.7 Procedure 95 4.2.8 Observation Table 95 4.2.9 Results 96 4.2.10 Notes 96 4.3 Determination of Phosphate Content in Environmental Samples 96 4.3.1 Importance of Phosphate 96 4.3.2 Eutrophication 97 4.3.3 Principle 98 4.3.4 Material Required 98 4.3.5 Reagent Preparation 98 4.3.6 Procedure 99 4.3.7 Procedure Estimation of Phosphate in Soil 99 4.3.8 Observation Table 99 4.3.9 Note 100 4.4 Estimation of Nitrite and Nitrate in Water by Spectrophotometric Method 100 4.4.1 Principle 100 4.4.2 Materials Required 102 4.4.3 Reagent Preparation 102 4.4.4 Procedure 102 4.4.5 Estimation Nitrite and Nitrate in Soil Sample 103 4.4.6 Calculations 103 4.4.7 Observation Table 104 4.4.8 Notes 105 4.5 Determination of Chloride Content in Water by Mohr’s Method 105 4.5.1 Principle 105 4.5.2 Mohr’s Method 106 4.5.3 Importance 106 4.5.4 Material Required 106 4.5.5 Procedure 107 4.5.6 Observation Table 107 4.5.7 Calculation 107 4.5.8 Result 108 4.6 Determination of Chloride Content in Water by Volhard’s Method 108 4.6.1 Principle 108 4.6.2 Material Required 109 4.6.3 Reagent Preparation 109 4.6.4 Procedure 109 4.6.5 Observation Table 109 4.6.6 Calculation 109 4.6.7 Result 110 4.6.8 Note 110 4.7 Determination of Fluoride Content in Water 110 4.7.1 Principle 110 4.7.2 Material Required 112 4.7.3 Reagent Preparation 112 4.7.4 Procedure 112 4.7.5 For Resorcin Blue Method: Preparation of Fluoride Working Standards 113 4.7.6 Note 113 4.8 Determination of Fluoride Content in Water Using Azurol B and Malachite Green 114 4.8.1 Principle 114 4.8.2 Material Required 114 4.8.3 Reagent Preparation 115 4.8.4 Procedure 115 4.8.5 For Malachite Green Method, Preparation of Fluoride Working Standards 116 4.8.6 For Azurol B Method, Preparation of Fluoride Working Standards 117 4.9 Determination of Cyanide (Cyanide Anion) by Spectrophotometric Method 117 4.9.1 Principle 117 4.9.2 Cyanide Toxicity 118 4.9.3 Material Required 119 4.9.4 Reagent Preparations 119 4.9.5 Procedure 120 4.9.6 Calculation 120 4.9.7 Single Reagent Method 120 4.9.8 Observation Table 121 4.9.9 Notes 121 References 122 5 Determination of Air Pollutants Using Titrimetric and Spectrophotometric Methods 129 5.1 Introduction 129 5.2 Determination of Particulate Matter in Air 131 5.2.1 Principle 131 5.2.2 Material Required 132 5.2.3 Procedure 132 5.2.4 Calculations 133 5.2.5 Result 133 5.3 Determination of Sulphur Dioxide (SO2) in Air 133 5.3.1 Principle 133 5.3.2 Material Required 134 5.3.3 Reagent Preparation 134 5.3.4 Procedure 135 5.3.5 Calibration Curve 135 5.3.6 Calculation 136 5.3.7 Notes 136 5.4 Determination of Nitrogen Dioxide (NO2) in Air 137 5.4.1 Principle 137 5.4.2 Material Required 138 5.4.3 Reagent Preparation 138 5.4.4 Procedure 138 5.4.5 For Estimation of NO2 in Air 138 5.4.6 Calculation 139 5.4.7 Results 139 5.5 Determination of Ozone Content in Air 139 5.5.1 Principle 139 5.5.2 Material Required 141 5.5.3 Reagent Preparation 141 5.5.4 Procedure 141 5.5.5 Calculations 142 5.5.6 Notes 142 5.6 Determination of Carbon Dioxide (CO2) in Atmosphere 142 5.6.1 Principle 142 5.6.2 Material Required 144 5.6.3 Protocol 144 5.6.4 Calculation 144 5.6.5 Note 145 5.7 Determination of Air Quality Using Chlorophyll as Biomarker 145 5.7.1 Principle 145 5.7.2 Material Required 145 5.7.3 Procedure 146 5.7.4 Calculations 147 5.7.5 Result 147 References 147 6 Spectrophotometric Methods for Determination of Heavy Metals 151 6.1 Introduction 151 6.2 Arsenic Determination by Using Variamine Blue 153 6.2.1 Toxicity of Arsenic 153 6.2.2 Principle 155 6.2.3 Material Required 155 6.2.4 Procedure 155 6.2.5 Determination of Arsenic in Soil 156 6.2.6 Standard Preparation 157 6.2.7 Notes 159 6.3 Arsenic Determination by Using Rhodamine-B 159 6.3.1 Principle 159 6.3.2 Material Required 160 6.3.3 Procedure 160 6.3.4 Standard Preparation 161 6.3.5 Notes 161 6.4 Chromium (VI) Determination by Using 1,5-diphenylcarbazide 162 6.4.1 Mechanism of Chromium Toxicity 162 6.4.2 Principle 162 6.4.3 Material Required 162 6.4.4 Reagent Preparation 163 6.4.5 Procedure 163 6.4.6 Standard Preparation 163 6.4.7 Notes 164 6.5 Lead (II) Determination by 2,5-dimercapto-1,3,4-thiadiazole (DMTD) 164 6.5.1 Application of Lead 164 6.5.2 Lead Toxicity 165 6.5.3 Principle 165 6.5.4 Material Required 165 6.5.5 Reagent Preparation 165 6.5.6 Procedure 166 6.5.7 Standard Preparation 166 6.5.8 Notes 167 6.6 Lead (II) Determination by using 5-Bromo-2-hydroxy-3-methoxybenzaldehyde-p-hydroxybenzoic hydrazine (BHMBHBH) 167 6.6.1 Principle 167 6.6.2 Material Required 168 6.6.3 Reagent Preparation 168 6.6.4 Procedure 168 6.6.5 Standard Preparation 169 6.6.6 Notes 169 6.7 Mercury (II) Determination by using 2-Acetylpyridine Thiosemicarbazone (APT) 170 6.7.1 Mercury Toxicity 170 6.7.2 Mechanism of Toxicity 170 6.7.3 Material Required 171 6.7.4 Reagent Preparation 172 6.7.5 Sample Preparation 172 6.7.6 Procedure 172 6.7.7 Estimation of Mercury in Soil 173 6.7.8 Standard Preparation 173 6.7.9 Notes 174 6.8 Mercury (II) Determination by Using Diphenyl Thiocarbazone 174 6.8.1 Principle 174 6.8.2 Material Required 174 6.8.3 Reagent Preparation 175 6.8.4 Sample Preparation 175 6.8.5 Procedure 175 6.8.6 Determination of Mercury in Soil 175 6.8.7 Standard Preparation 176 6.8.8 Notes 177 6.9 Nickel (II) Determination by Using (E)-N1-(2-hydroxy-5-nitrobenzylidene) Isonicotinoyl Hydrazone (HNBISNH) and 2-(4-fluoro benzylideneamino) Benzene Thiol (FBBT) 177 6.9.1 Principle 177 6.9.2 Importance of Nickel 177 6.9.3 Material Required 178 6.9.4 Reagent Preparation 178 6.9.5 Procedure 179 6.9.6 Determination of Nickel in Soil 180 6.9.7 Standard Preparation 180 6.9.8 Notes 180 6.10 Cadmium Determination by Using 1, 2-Dihydroxy Anthraquinone-3-Sulphonic Acid, Sodium Salt (Alizarin red S) 181 6.10.1 Principle and Importance 181 6.10.2 Material Required 182 6.10.3 Reagent Preparation 182 6.10.4 Procedure 183 6.10.5 Determination of Cadmium in Soil 183 6.10.6 Calibration Curve in the Range of 1 μg/ml to 40 μg/ml 184 6.10.7 Notes 184 6.11 Cadmium Determination by Using 5,7–Dibromo-8-Hydroxyquinoline (DBHQ) 185 6.11.1 Principle 185 6.11.2 Material Required 185 6.11.3 Reagent Preparation 186 6.11.4 Procedure 186 6.11.5 Determination of Cadmium in Soil 186 6.11.6 Standard Preparation 187 6.11.7 Notes 188 6.12 Copper Determination by Using Thio Mishler’s Ketone (TMK) 188 6.12.1 Principle 188 6.12.2 Material Required 189 6.12.3 Reagent Preparation 189 6.12.4 Procedure 190 6.12.5 Standard Preparation 191 6.12.6 Notes 192 6.13 Selenium Determination by Using Azure B and Thionin 192 6.13.1 Importance of Selenium 192 6.13.2 Toxicity of Selenium 192 6.13.3 Principle 193 6.13.4 Material Required 193 6.13.5 Reagent Preparation 194 6.13.6 Sample Preparation 194 6.13.7 Procedure 194 6.13.8 Estimation of Selenium in Soil 195 6.13.9 Standard Preparation for Azure B Method 195 6.13.10 Standard Preparation for Thionin B Method 196 6.13.11 Notes 196 6.14 Zinc Determination by Using 5, 7–Dibromo-8-ydroxyquinoline (DBHQ) 197 6.14.1 Importance of Zinc 197 6.14.2 Zinc Toxicity 197 6.14.3 Principle 197 6.14.4 Material Required 198 6.14.5 Reagent Preparation 198 6.14.6 Sample Preparation 198 6.14.7 Procedure 199 6.14.8 Standard Preparation 199 6.14.9 Notes 200 6.15 Iron Determination 200 6.15.1 Principle 200 6.15.2 Reagent Preparation 201 6.15.3 Procedure 202 6.15.4 Estimation of Iron in Water 202 6.15.5 Standard Preparation 203 6.15.6 Notes 204 References 204 7 Determination of Carbonates in Environmental Samples 213 7.1 Introduction 213 7.2 Determination of the Calcium Carbonate (CaCO3) Content of Soil 214 7.2.1 Principle 214 7.2.2 Material Required 214 7.2.3 Reagent Preparation 214 7.2.4 Procedure 215 7.2.5 Observation Table 215 7.2.6 Calculations 216 7.2.7 Result 216 7.2.8 Notes 216 7.3 Determination of the Hardness of Water 216 7.3.1 Principle 216 7.3.2 Some Strategies to “Soften” Hard Water 217 7.3.3 Materials Required 219 7.3.4 Reagent Preparation 219 7.3.5 Procedure 220 7.3.6 Observation Table 220 7.3.7 Calculation 221 7.3.8 Result 221 7.4 Determination of Acidity and Total Acidity of Effluent Sample by Titrimetric Method 221 7.4.1 Principle 221 7.4.2 Material Required 222 7.4.3 Reagent Preparation 222 7.4.4 Procedure 222 7.4.5 Observation Table 223 7.4.6 Calculation 223 7.4.7 Result 224 7.5 Determination of Alkalinity and Total Alkalinity of Effluent Sample by Titrimetric Method 224 7.5.1 Principle 224 7.5.2 Material Required 224 7.5.3 Reagent Preparation 224 7.5.4 Procedure 225 7.5.5 Observation Table 225 7.5.6 Calculation 226 7.5.7 Result 226 References 226 8 Microbial Examination of Potable Water 229 8.1 Introduction 229 8.2 Microbial Estimation in Water by Filter Disc Method 232 8.2.1 Principle 232 8.2.2 Material Required 232 8.2.3 Reagent Preparation 232 8.2.4 Procedure 232 8.2.5 Result 233 8.2.6 Notes 233 8.3 Microbial Examination by Gram Staining 233 8.3.1 Principle 233 8.3.2 Material Required 234 8.3.3 Procedure 234 8.3.4 Result 235 8.3.5 Note 235 8.4 MPN (Most Probable Number) Method for Assessment of Water Quality 235 8.4.1 Principle 235 8.4.2 Presumptive Test 236 8.4.2.1 Media Preparation (For Testing Single Water Sample) 236 8.4.2.2 Procedure 237 8.4.2.3 Alternative Media (For Testing Single Water Sample) 237 8.4.2.4 Procedure 238 8.4.2.5 Observation Table for Presumptive Test 240 8.4.2.6 Results 245 8.4.2.7 Note 245 8.4.3 Confirmed Test 245 8.4.3.1 Media Preparation for Confirmed Test 245 8.4.3.2 Procedure 245 8.4.3.3 Result 246 8.4.4 Completed Test 246 8.4.4.1 Media Preparation for Completed Test 246 8.4.4.2 Procedure 246 8.4.4.3 Results 247 References 247 Appendix I 251 Appendix II 253 Appendix III 255 Index 257

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Book SynopsisReviews recent advances in catalytic biodiesel synthesis, highlighting various nanocatalysts and nano(bio)catalysts developed for effective biodiesel production Nano- and Biocatalysts for Biodiesel Production delivers an essential reference for academic and industrial researchers in biomass valorization and biofuel industries. The book covers both nanocatalysts and biocatalysts, bridging the gap between homogenous and heterogenous catalysis. Readers will learn about the techno-economical and environmental aspects of biodiesel production using different feedstocks and catalysts. They will also discover how nano(bio)catalysts can be used as effective alternatives to conventional catalysts in biodiesel production due to their unique properties, including reusability, high activation energy and rate of reaction, easy recovery, and recyclability. Readers will benefit from the inclusion of: Introductions to CaO nanocatalysts, zeolite nanocatTable of ContentsPreface xv List of Contributors xix 1 Biodiesel: Different Feedstocks, Conventional Methods, and Factors Affecting its Production 1Hossein Esmaeili and Sajad Tamjidi 1.1 Introduction 1 1.2 Different Feedstocks for Biodiesel Production 3 1.2.1 Vegetable Sources 3 1.2.2 Waste Oils 3 1.2.3 Animal Fats 5 1.2.4 Microalga Oil 6 1.3 Conventional Methods of Biodiesel Production 8 1.3.1 Microemulsion 8 1.3.2 Pyrolysis or Thermal Cracking 8 1.3.3 Transesterification 8 1.4 Catalysts Used in Biodiesel Production 9 1.4.1 Homogeneous Catalysts 9 1.4.1.1 Homogeneous Alkaline Catalysts 9 1.4.1.2 Homogeneous Acidic Catalysts 9 1.4.2 Heterogeneous Catalysts 10 1.4.2.1 Heterogeneous Alkaline Catalysts 10 1.4.2.2 Heterogeneous Acid Catalysts 10 1.4.3 Enzymatic Catalysts 11 1.4.4 Nanocatalysts 12 1.5 Effects of Different Factors on Biodiesel Production Yield 15 1.5.1 Reaction Temperature 15 1.5.2 Alcohol to Oil Molar Ratio 16 1.5.3 Reaction Time 17 1.5.4 Catalyst Dosage 17 1.5.5 pH 17 1.5.6 Mixing Rate 17 1.5.7 Fatty Acids 18 1.5.8 Water Content 18 1.6 Physical Properties of Biodiesel 18 1.7 Conclusions 19 References 20 2 Nano(Bio)Catalysts: An Effective Tool to Utilize Waste Cooking Oil for the Biodiesel Production 31Rushikesh Fopase, Swati Sharma and Lalit M. Pandey 2.1 Introduction 31 2.2 Waste Cooking Oils 33 2.3 Pretreatment of WCOs 33 2.4 Transesterification Process 34 2.4.1 Kinetics of Transesterification 36 2.5 Enzymatic Biocatalysts 37 2.5.1 Lipases 38 2.5.1.1 Extracellular Lipases 38 2.5.1.2 Intracellular Lipases 39 2.6 Enzyme Immobilization Techniques 41 2.7 Physical Methods 42 2.7.1 Adsorption 42 2.7.2 Encapsulation 45 2.7.3 Entrapment 46 2.8 Chemical Methods 47 2.8.1 Covalent Bonding 47 2.8.2 Cross-Linking 49 2.8.3 Summary 50 2.9 Conclusions 50 References 51 3 A Review on the Use of Bio/Nanostructured Heterogeneous Catalysts in Biodiesel Production 59Samuel Santos, Jaime Puna, João Gomes and Jorge Marchetti 3.1 Introduction 59 3.2 Use of Micro- and Nanostructured Heterogeneous Catalysts in Biodiesel Production 62 3.2.1 Microstructured Heterogeneous Catalysts 62 3.2.1.1 Solid Acid Catalysts 62 3.2.1.2 Solid Base Catalysts 63 3.2.2 Nanostructured Heterogeneous Catalysts 65 3.2.2.1 Gas Condensation 65 3.2.2.2 Vacuum Deposition 65 3.2.2.3 Chemical Deposition 66 3.2.2.4 Sol-Gel Method 66 3.2.2.5 Impregnation 67 3.2.2.6 Nanogrinding 68 3.2.2.7 Calcination-Hydration-Dehydration 68 3.3 Enzymatic Catalysis 69 3.3.1 Heterogeneous Biocatalysts (Lipases) and Their Immobilization 69 3.3.1.1 Physical Adsorption 70 3.3.1.2 Entrapment 70 3.3.1.3 Covalent Bonding 71 3.3.1.4 Cross-Linking 72 3.3.2 Nano(Bio)Catalysts: Immobilization of Enzymes on Nanosupports 73 3.3.2.1 Nanoparticles 73 3.3.2.2 Carbon Nanotubes 75 3.3.2.3 Nanofibers 76 3.3.2.4 Nanocomposites 76 3.4 Conclusions 77 References 78 4 Calcium-Based Nanocatalysts in Biodiesel Production 93Priti R. Pandit and Archit Mohapatra 4.1 Introduction 93 4.2 Nanocatalysts 94 4.3 CaO-Based Nanocatalysts for Biodiesel Production 95 4.3.1 Synthesis and Characterization of CaO-Based Nanocatalysts Using Waste Material 99 4.3.2 CaO Nanocatalysts Supported with Metal Oxides for Biodiesel Production 102 4.4 Effects of Different Parameters on Biodiesel Production 105 4.4.1 Reaction Time 105 4.4.2 Temperature 105 4.4.3 Methanol to Oil Molar Ratio 106 4.4.4 Catalyst Load 106 4.5 Reusability and Leaching of Nanocatalysts 106 4.6 Conclusions 107 References 107 5 Titanium Dioxide-Based Nanocatalysts in Biodiesel Production 115Elijah Olawale Ajala, Mary Adejoke Ajala and Harvis Bamidele Saka 5.1 Introduction 115 5.2 Natural Occurrences of Titania 117 5.2.1 Rutile 117 5.2.2 Anatase 118 5.2.3 Rhombic Brookite 118 5.2.4 Kaolin Clays 118 5.2.5 Ilmenites or Manaccanite 120 5.3 Precursors Used for the Synthesis of TiO2 NPs 120 5.3.1 Titanium Tetrachloride 121 5.3.2 Titanium Tetraisopropoxide 121 5.3.3 Titanium Butoxide 122 5.4 Methods for the Synthesis of TiO2 NPs 122 5.4.1 Physical Methods 122 5.4.1.1 Ball Milling 122 5.4.1.2 Laser Ablation/Photoablation 123 5.4.1.3 Sputtering 123 5.4.2 Chemical Methods 123 5.4.2.1 Microemulsion 123 5.4.2.2 Precipitation 124 5.4.2.3 Sol-Gel 124 5.4.2.4 Hydrothermal 125 5.4.2.5 Solvothermal 125 5.4.2.6 Electrochemical/Deposition 125 5.4.2.7 Sonochemical 126 5.4.2.8 Direct Oxidation 126 5.4.3 Biological Methods 126 5.4.3.1 Green Synthesis Using Plant Extracts 126 5.4.3.2 Microbial Synthesis 128 5.4.3.3 Enzyme-Mediated Synthesis 129 5.5 Methods for the Synthesis of TiO2-Based Nanocatalysts 130 5.5.1 Wet Impregnation 130 5.5.2 Dry Impregnation 131 5.6 TiO2-Based Nanocatalysts for Biodiesel Production 131 5.6.1 Sulfated TiO2 Nanocatalysts 131 5.6.2 Alkaline TiO2 Nanocatalysts 133 5.6.3 Co-Transition TiO2 Nanocatalysts 133 5.6.4 Alkali TiO2 Nanocatalysts 134 5.6.5 Bimetallic TiO2 Nanocatalysts 135 5.6.5.1 TiO2-Pd-Ni 135 5.6.5.2 TiO2-Au-Cu 135 5.7 Other TiO2 Nanocomposite Catalysts 135 5.8 Conclusions 136 References 136 6 Zinc-Based Nanocatalysts in Biodiesel Production 143Avinash P. Ingle 6.1 Introduction 143 6.2 Feedstocks Used for Biodiesel Production 144 6.2.1 Vegetable Oils 144 6.2.2 Microbial Oils 145 6.2.3 Animal Fats 145 6.2.4 Waste Oils 145 6.2.5 Biomass 146 6.3 Conventional Methods of Biodiesel Production 146 6.3.1 Pyrolysis 146 6.3.2 Transesterification 146 6.3.2.1 Homogeneous Acid and Base (Alkali)-Catalyzed Transesterification 146 6.3.2.2 Heterogeneous Acid and Base (Alkali)-Catalyzed Transesterification 147 6.3.2.3 Enzymatic Transesterification 147 6.4 Nanotechnology in Biodiesel Production 148 6.5 Zinc-Based Nanocatalysts in Biodiesel Production 148 6.6 Conclusions 151 References 152 7 Carbon-Based Nanocatalysts in Biodiesel Production 157Rahul Bhagat, Harris Panakkal, Indarchand Gupta and Avinash P. Ingle 7.1 Introduction 157 7.2 Feedstocks Used for Biodiesel Production 158 7.2.1 Vegetable Oils 158 7.2.2 Algae 159 7.2.3 Animal Fats 160 7.2.4 Waste Cooking Oils 160 7.3 Conventional Heterogeneous Catalysts 160 7.4 Carbon-Based Heterogeneous Nanocatalysts 164 7.4.1 Carbon Nanotubes 166 7.4.2 Sulfonated Carbon Nanotubes 167 7.4.3 Graphene/Graphene Oxide-Based Nanocatalysts 168 7.4.4 Carbon Nanofibers and Carbon Dots 169 7.4.5 Carbon Nanohorns 170 7.4.6 Other Carbon-Based Nanocatalysts 171 7.5 Conclusions 174 References 174 8 Functionalized Magnetic Nanocatalysts in Biodiesel Production 183Kalyani Rajkumari and Lalthazuala Rokhum 8.1 Introduction 183 8.2 Relevance of Heterogeneous Catalysis in Biodiesel Production 185 8.3 Surface Modification and Functionalization of NPs 186 8.4 Applications of Functionalized Magnetic Nanocatalysts in Biodiesel Production 186 8.4.1 Acid-Functionalized Magnetic Nanocatalysts 186 8.4.2 Base-Functionalized Magnetic Nanocatalysts 189 8.4.3 Magnetic Nanocatalysts Functionalized withWaste Materials 190 8.4.4 Ionic Liquid-Immobilized Magnetic Nanocatalysts 192 8.5 Conclusions 194 References 195 9 Bio-Based Catalysts in Biodiesel Production 201Umer Rashid, Shehu-Ibrahim Akinfalabi, Naeemah A. Ibrahim and Chawalit Ngamcharussrivichai 9.1 Introduction 201 9.2 Biodiesel: A Potential Source of Renewable Energy 204 9.2.1 Progress in Biodiesel Development 204 9.2.2 Development of Biodiesel in Malaysia 205 9.2.3 Biodiesel Feedstocks 206 9.2.3.1 PFAD as a Biodiesel Feedstock 207 9.2.4 Common Methods Used for Biodiesel Reaction 208 9.2.4.1 Esterification 209 9.2.4.2 Transesterification 210 9.3 Homogeneous Catalysis in Biodiesel Production 211 9.4 Heterogeneous Catalysis in Biodiesel Production 213 9.5 Catalyst Supports 215 9.5.1 Alumina 216 9.5.2 Silicate 216 9.5.3 Zirconium Oxide 217 9.5.4 Activated Carbon 217 9.6 Heterogeneous Bio-Based Acid Catalysts 217 9.7 Synthesis of Bio-Based Solid Acid Catalysts 218 9.7.1 Palm Tree Fronds and Spikelets 219 9.7.2 Jatropha curcas 219 9.7.3 Coconut Shells 220 9.7.4 Rice Husks 220 9.7.5 Bamboo 221 9.7.6 Cocoa Pod Husks 221 9.7.7 Hardwoods 222 9.7.8 Peanut Hulls 222 9.7.9 Wood Mixtures 223 9.7.10 Palm Kernel Shells 223 9.8 Magnetic Bio-Based Catalysts for Biodiesel Production 224 9.9 Characterization of Bio-Based Catalysts 228 9.9.1 Field Emission Scanning Electron Microscopy (FESEM) 228 9.9.2 Fourier Transform Infrared (FT-IR) 229 9.9.3 X-Ray Diffraction (XRD) 229 9.9.4 Thermogravimetric Analysis (TGA) 230 9.9.5 Temperature-Programmed Desorption – Ammonia (TPD-NH3) 231 9.9.6 Brunauer–Emmett–Teller (BET) Analysis 231 9.10 Reaction Parameters Affecting Biodiesel Production 232 9.10.1 Reaction Time 232 9.10.2 Catalyst Concentration 232 9.10.3 Methanol to Fat/Oil Molar Ratio 232 9.10.4 Reaction Temperature 233 9.10.5 Mixing Rate 235 9.11 Conclusions 235 References 236 10 Heterogeneous Nanocatalytic Conversion of Waste to Biodiesel 249Nilutpal Bhuyan, Manash J. Borah, Neelam Bora, Dipanka Saikia, Dhanapati Deka and Rupam Kataki 10.1 Introduction 249 10.2 Role of Catalysts in Biodiesel Production 250 10.3 Feedstocks for Biodiesel Production 251 10.3.1 First-Generation Feedstocks or Edible Oils 251 10.3.2 Second-Generation Feedstocks or Non-Edible Oils 252 10.3.3 Third-Generation Feedstocks or Algae 252 10.3.4 Other Feedstocks 253 10.4 Biodiesel Production Process 253 10.4.1 Acid-Catalyzed Transesterification 254 10.4.1.1 Mechanism of Acid-Catalyzed Transesterification 256 10.4.2 Alkali- or Base-Catalyzed Transesterification 256 10.4.2.1 Mechanism of Alkali- or Base-Catalyzed Transesterification 258 10.4.3 Other Types of Transesterification 258 10.5 Variables Affecting Transesterification 259 10.6 Heterogeneous Nanocatalysts for Biodiesel Production 260 10.7 Characterization of Nanoparticles Used for Biodiesel Production 262 10.7.1 X-Ray Diffraction (XRD) 262 10.7.2 Scanning Electron Microscopy (SEM) 262 10.7.3 Energy Dispersive X-Ray Analysis (EDX) 262 10.7.4 Transmission Electron Microscopy (TEM) 264 10.7.5 Atomic Force Microscopy (AFM) 264 10.7.6 Raman Spectroscopy 264 10.7.7 Fourier Transform Infrared Spectroscopy (FT-IR) 264 10.7.8 X-Ray Photoelectron Spectroscopy (XPS) 264 10.7.9 Thermogravimetric Analysis (TGA) 265 10.8 Influence of Nanoparticle Properties on Biodiesel Production 265 10.9 Safety Issues Around the Application of Nanocatalysts in Biodiesel Production 267 10.10 Future Perspectives 267 10.11 Conclusions 268 References 269 11 Application of Rare Earth Cation-Exchanged Nanozeolite as a Support for the Immobilization of Fungal Lipase and their Use in Biodiesel Production 279Guilherme de Paula Guarnieri, Adriano de Vasconcellos, Fábio Rogério de Moraes and José Geraldo Nery 11.1 Introduction 279 11.2 Case Study 282 11.2.1 Origins of Materials and Enzymes 282 11.2.2 Preparation of Na-FAU Nanozeolites 282 11.2.3 Ion-Exchange Experiments 283 11.2.4 Enzyme Immobilization on to Nanozeolitic Supports 283 11.2.5 Physicochemical Characterization of As-Synthesized Nanozeolites and Nanozeolite–Enzyme Complexes 284 11.2.6 Synthesis of FAAEs 286 11.2.7 FAEE Yields Obtained with Nanozeolite Complexes 287 11.2.8 Model of Lipase Immobilization on to Zeolite Supports 287 11.3 Conclusions 290 References 290 12 Lipase-Immobilized Magnetic Nanoparticles: Promising Nanobiocatalysts for Biodiesel Production 295Tooba Touqeer, Muhammad Waseem Mumtaz and Hamid Mukhtar 12.1 Introduction 295 12.2 Transesterification for Biodiesel Production 296 12.2.1 Homogenous Catalysts 296 12.2.2 Heterogeneous Catalysts 297 12.2.3 Enzymatic Catalysts 297 12.3 Advantages of Using Magnetic Nanobiocatalysts 297 12.3.1 High Enzyme Loading and Surface Area to Volume Ratio 298 12.3.2 Low Mass Transfer Restriction and High Brownian Movement 299 12.3.3 Effortless Recovery and Reusability 299 12.3.4 Stability 299 12.4 Synthesis of Nanobiocatalysts 299 12.4.1 Preparation and Functionalization of Nanostructures 299 12.4.2 Immobilizing Enzymes on Nanomaterials 300 12.4.2.1 Adsorption Immobilization 300 12.4.2.2 Covalent Immobilization 301 12.5 Techniques for the Characterization of Nanobiocatalysts 302 12.6 Transesterification Using Magnetic Nanobiocatalysts 303 12.7 Factors Affecting Enzymatic Transesterification 304 12.7.1 Type of Alcohol Used 304 12.7.2 Solvent 305 12.7.3 Reaction Temperature 306 12.7.4 Water Content 306 12.7.5 Alcohol to Oil Molar Ratio 306 12.7.6 Source of Lipase 306 12.8 Conclusions 307 References 307 13 Technoeconomic Analysis of Biodiesel Production Using Different Feedstocks 313Shemelis Nigatu Gebremariam 13.1 Introduction 313 13.2 Biodiesel Production Technologies 315 13.3 Feedstock Types for Biodiesel Production 317 13.4 Technical Performance Evaluation of Biodiesel Production 318 13.4.1 Fuel Properties of Biodiesel 319 13.4.1.1 Flash Point 319 13.4.2 Cold Flow Properties 319 13.4.2.1 Cloud Point 320 13.4.2.2 Pour Point 320 13.4.2.3 Cold Filter Plugging Point (CFPP) 321 13.4.3 Cetane Number 321 13.4.4 Density 322 13.4.5 Viscosity 323 13.4.6 Oxidation Stability 323 13.4.7 Biodiesel Quality Standards 324 13.5 Economic Performance Evaluation of the Biodiesel Production Process 324 13.5.1 Fixed Capital Investment Cost 326 13.5.2 Working Capital (Operating) Cost 329 13.6 Conclusions 330 References 331 Index 339

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Book SynopsisLignocellulose Bioconversion Through White Biotechnology Comprehensive resource summarizing the recent technological advancements in white biotechnology and biomass conversion into fuels, chemicals, food, and more Lignocellulose Bioconversion Through White Biotechnology presents cutting-edge information on lignocellulose biomass conversion, detailing how white biotechnology can develop sustainable biomass pretreatment methods, effective plant cell wall degrading enzymes to yield high quality cellulosic sugars, and the eventual conversion of these sugars into fuels, chemicals, and other materials. To provide comprehensive coverage of the subject, the work offers in-depth critical analysis into both techno-economic and life cycle analysis of lignocellulose-based products. Each of the 16 chapters, written by a well-qualified and established researchers, academics, or engineers, presents key information on a specific facet of lignocellulose-based products. Topics covered include: LignocTable of ContentsList of Contributors xiii Preface xx 1 White Biotechnology: Impeccable Role in Sustainable Bioeconomy 1 Anuj Kumar Chandel, Jesús J. Ascencio, Akhilesh K. Singh, Ruly T. Hilares, Lucas Ramos, Rishi Gupta, Yeruva Thirupathaiah, and Sridevi Jagavati 1.1 Introduction 1 1.2 Biomass Feedstock: Types and Composition 3 1.3 Biomass Pretreatment: An Overview and State- of- the- Art 4 1.4 Lignocellulosic Sugar Production 5 1.5 Production of Ethanol and Biodiesel 8 1.6 Drop- in Renewable Biofuels: Green Hydrocarbons 11 1.7 Global Scenario of the Biofuel Industry 12 1.8 Economic Outcomes 14 1.9 Sustainability and Biorefinery 16 1.10 Conclusion 16 Acknowledgement 17 References 17 2 Lignocellulose Feedstock Availability, Types of Feedstocks, and New Designer Crops 24 V. Guadalupe Bustos, R. Daniel Trujillo, C. Linda M. Martínez, and S. Rodolfo Torres 2.1 Introduction 24 2.2 Lignocellulosic Biomass 25 2.2.1 Plant Cell Wall 27 2.3 Biomass Conversion Pathways 29 2.3.1 Lignocellulosic Biomass Pretreatment 29 2.3.2 Enzymatic Hydrolysis 32 2.3.3 Conversion of Lignocellulosic Components 33 2.3.3.1 Biofuels 33 2.3.3.2 Pectins 34 2.3.3.3 Cellulose Nanofibers 35 2.4 Different Types of Biomass Available in Mexico 36 2.4.1 Coconut Shells 36 2.4.2 Sugarcane Bagasse 38 2.4.2.1 Applications of Sugarcane Bagasse 39 2.4.3 Tequilana Agave 39 2.4.3.1 Heart or Piña 39 2.4.3.2 Leaves 40 2.4.3.3 Conditioning of Agave tequilana Leaves to Obtain Fermentable Sugars 40 2.5 Conclusion 42 References 42 3 Lignocellulose Bioconversion: Technical Aspects and New Developments 55 J Gamboa- Santos and A Alzamendi 3.1 Introduction 55 3.2 Lignocellulosic (LC) Biomass Composition 56 3.2.1 Cellulose 56 3.2.2 Hemicellulose 56 3.2.3 Lignin 57 3.3 Biorefinery Concept in the Era of Sustainable Circular Economy 57 3.4 Biorefinery Treatments 58 3.4.1 Pretreatments 58 3.4.1.1 Physical Methods 60 3.4.1.2 Thermal Methods 62 3.4.1.3 Chemical Methods 63 3.4.1.4 Biological Methods 64 3.5 New Innovative Technologies and Developments 67 3.5.1 Development of Green/Environmentally Friendly Methods 68 3.5.1.1 Green Solvents 69 3.5.2 Biological New Developments 71 3.5.2.1 Eco- friendly Bacterial Bioconversion 72 3.5.2.2 Fungal Depolymerization 72 3.5.2.3 Bacterial Depolymerization 73 3.5.3 Combined Pretreatment Methods 73 3.6 Final Remarks 74 References 75 4 An Evaluation of Steam Explosion Pretreatment to Enhance the Digestibility of Lignocellulosic Biomass 83 Bhima Bhukya and Praveen K. Keshav 4.1 Introduction 83 4.2 Mode of Action and Types of Steam Explosion Pretreatment 86 4.3 Factors Affecting the Steam Explosion Pretreatment 87 4.3.1 Effect on Particle Size of Biomass 87 4.3.2 Effect of Moisture Content 88 4.3.3 Effect of Combined Severity Factor 88 4.3.4 Effect of Addition of Catalyst 89 0005376972.indd 6 08-22-2022 19:25:16 4.4 Various Post- pretreatment Approaches to Improve Saccharification of Steam Exploded Biomass 91 4.5 Summary and Conclusions 91 Acknowledgements 93 References 93 5 The Role of Plant Cell Wall Degrading Enzymes in Biorefinery Development 99 Katarina R. Mihajlovski and Marija D. Milić 5.1 Introduction 99 5.2 Lignocellulosic Biomass— the Plant Cell Wall 100 5.3 The Cell Wall Degrading Enzymes 101 5.4 Cellulases in a Biorefinery Development 102 5.4.1 Commercial Cellulase Cocktails for Lignocellulosic Biomass Degradation 104 5.4.2 Commercial Cellulase Preparation for Various Industrial Uses 112 5.4.2.1 Laundry and Detergent Industry 116 5.4.2.2 Textile Industry 116 5.4.2.3 Pulp and Paper Industry 117 5.4.2.4 Bakery Industry 118 5.4.2.5 Beverages 119 5.4.2.6 Edible Oils 120 5.4.2.7 Animal Feed Industry 120 5.5 Microbial Fermentations for Cellulase Production 121 5.6 Conclusion 124 Acknowledgement 127 References 127 6 Microbial Production of Biobased Chemicals: Improvements and Challenges 136 Luana Assis Serra, Débora Trichez, Clara Vida G. C. Carneiro, Letícia M. Mallmann Ferreira, Paula F. Franco, and João Ricardo M. Almeida 6.1 Introduction 136 6.2 Challenges in Developing Microorganisms for Lignocellulosic Sugar Utilization 138 6.3 Relevant Biobased Chemicals from Biomass 141 6.4 Microbial Products from Sugar Fermentation 145 6.4.1 Organic Acids 145 6.4.1.1 Adipic Acid 145 6.4.1.2 Furan- 2,5- dicarboxylic Acid (C6H4O5) 150 6.4.1.3 Itaconic Acid 151 6.4.1.4 Lactic Acid and Polylactic Acid 152 6.4.1.5 Levulinic Acid 153 6.4.1.6 Succinic Acid 154 6.4.2 Diols 155 6.4.2.1 1,3- Propanediol (PDO) 155 6.4.2.2 Propylene Glycol 156 6.4.3 Polyols 157 6.4.3.1 Sorbitol 157 6.4.3.2 Xylitol 158 6.4.4 Alcohols 159 6.4.4.1 Butanol 159 6.4.4.2 Ethanol 160 6.4.5 Aldehydes 162 6.4.5.1 Furfural 162 6.4.6 Polyesters 163 6.4.6.1 Polyhydroxyalkanoates (PHAs) 163 6.4.7 Xylenes 164 6.4.7.1 Para- xylene 164 6.5 Conclusion 165 References 165 7 Molecular Biology Based Innovations in Lignocellulose Biorefinery 177 Nilesh Kumar Sharma and Mohit Bibra 7.1 Introduction 177 7.2 Lignocellulosic Biomass Potential 178 7.3 Biomass Pretreatment 178 7.3.1 Mechanical Pretreatment 179 7.3.2 Chemical Pretreatment 179 7.3.3 Biological Pretreatment 183 7.3.4 Other Methods 183 7.4 Different Approaches to Enhance Xylose Utilization 183 7.4.1 Random Mutagenesis 184 7.4.1.1 Evolutionary Adaptation 184 7.4.1.2 Strain Hybridization 185 7.4.2 Site- specific Engineering 187 7.4.2.1 Targeting Sugar Transporters 187 7.4.2.2 Targeting Xylose Metabolic Pathway 189 7.4.2.3 Targeting Non- oxidative Pathway 191 7.4.2.4 Engineering Non- conventional Yeast 191 7.5 Conclusion and Future Prospects 192 References 192 8 Recent Developments in Synthetic Biology and their Role in Uplifting Lignocellulose Bioeconomy 203 Nayanika Sarkar, Adhinarayan Vamsidhar, Pratham Khaitan, and Samuel Jacob 8.1 Introduction 203 8.1.1 Synthetic Biology Routes for the Delignification of Lignocellulosic Biomass for Biorefinery 204 8.1.2 The Key Players of Delignification 205 8.1.3 Case Studies 206 8.1.3.1 Fungi as Expression Host 206 8.1.3.2 Yeast as Expression Host 207 8.1.3.3 Bacteria as Expression Host 209 8.2 Synthetic Biology Routes for Cellulose Degradation in Lignocellulosic Biomass 209 8.2.1 Cellulose— a Major Plant Component 209 8.2.2 Synthetic Biology for Hydrolysis of Cellulose 210 8.2.3 Degradation using Nanoparticles 213 8.3 Synthetic Biology Routes for the Production of Low- value and High- value Alcohols 213 8.3.1 Low- value Alcohols 214 8.3.1.1 Ethanol 214 8.3.1.2 Methanol 214 8.3.2 High- value Alcohols 215 8.3.2.1 Xylitol 215 8.3.2.2 Butanol 215 8.4 Conclusion 217 References 217 9 Lignocellulose Bioconversion through Chemical Methods, Platform Chemicals, and New Chemicals 221 Manoela Martins, Patrícia F. Ávila, Marcos Fellipe da Silva, Allan Henrique Felix de Melo, Alberto M. Moura Lopes, and Rosana Goldbeck 9.1 Introduction 221 9.2 Lignocellulosic Biomass 222 9.2.1 Chemical Composition of Lignocellulosic Biomass 222 9.2.1.1 Cellulose 222 9.2.1.2 Hemicellulose 222 9.2.1.3 Lignin 223 9.2.2 Biomass Types and Recalcitrance Properties 223 9.3 Pretreatment and Fractionation of Lignocellulosic Materials 223 9.3.1 Chemical Pretreatments 225 9.3.1.1 Alkaline Pretreatment 225 9.3.1.2 Acidic Pretreatment 225 9.3.1.3 Ionic Liquids 225 9.3.1.4 Wet Oxidation 226 9.3.2 Physicochemical Pretreatment 226 9.3.2.1 Steam Explosion 226 9.3.2.2 Liquid Hot Water 227 9.3.2.3 Ammonia Fiber/Freeze Explosion (AFEX), Ammonia Recycle Percolation (ARP) and Soaking Aqueous Ammonia (SAA) 227 9.3.2.4 Supercritical Fluid 228 9.3.3 Fractionating Treatments of Lignocellulosic Compounds 228 9.4 Enzymatic Hydrolysis of Lignocellulosic Biomass 229 9.4.1 Cellulases 229 9.4.2 Ligninolytic Enzymes 230 9.4.3 Pectic Enzymes 231 9.4.4 Mannases 231 9.4.5 Xylanases 231 9.4.5.1 Backbone Enzymes 231 9.4.5.2 Side Chain Enzymes 232 9.4.5.3 Accessory Enzymes 232 9.4.6 Enzyme Synergism 232 9.5 Biorefinery— Biobased Chemicals Platform 233 9.5.1 Contextualization— Bioeconomic and Biorefinery 233 9.5.2 Bioethanol 234 9.5.3 Other Value- added Bioproducts Obtained from Lignocellulosic Biomass 235 9.5.3.1 Nanocellulose 236 9.5.3.2 Prebiotics 237 9.5.3.3 Organic Acids 237 9.5.3.4 Sweeteners 239 9.5.3.5 Biogas 239 9.5.3.6 Vanillin 240 Acknowledgment 240 References 240 10 Lignin Conversion through Biological and Chemical Routes 248 Marcos H. L. Silveira, Alain E. M. Mera, Anuj Kumar Chandel, and Eduardo A. Ribeiro 10.1 Introduction 248 10.1.1 Lignin Availability 249 10.1.2 Lignin Structure 249 10.1.3 Chemical Transformation Routes 252 10.1.4 Lignin Conversion by Biological Routes 253 10.1.5 Potential Chemicals from Lignin 255 10.2 Conclusions 255 Acknowledgements 257 References 258 11 Downstream Processing in Lignocellulose Conversion: Current Challenges and Future Practices 261 Kelly J. Dussán, Débora D. V. Silva, Ana F. M. Costa, Luana C. Grangeiro, and Ellen C. Giese 11.1 Introduction 261 11.2 Challenges and Perspectives Encompassing Circular Economy 263 11.3 Improving Lignocellulose Conversion for Future Bioeconomy 267 11.4 Industry 4.0: Advanced Technologies for the Biorefinery Platform 274 11.5 Conclusions 280 References 280 12 Scale- up Process Challenges in Lignocellulosic Biomass Conversion and Possible Solutions to Overcome the Hurdles 289 Henrique M. Baudel, Danielle Matias Rodrigues, Eduardo Diebold, and Anuj Kumar Chandel 12.1 Introduction 289 12.2 Lignocellulosic Conversion Processes and Engineering: Challenges and Possible Solutions 293 12.2.1 Steam Pretreatment: Issues and Potential Problems 297 12.3 Ethanol from Eucalyptus Wastes 304 12.4 Ethanol and Xylitol Production from Sprinkled Sugarcane Straw 307 12.5 Conclusions and Remarks 309 References 310 13 Techno- economic Analysis of Bioconversion of Woody Biomass to Ethanol 312 Deepak Kumar, Anuj Kumar Chandel, and Lakhveer Singh 13.1 Introduction 312 13.2 Techno- economic Analysis 313 13.3 Bioconversion of Woody Biomass to Ethanol 315 13.4 Techno- economic Analysis of Woody Biomass to Ethanol 320 13.5 Integrated TEA and life cycle assessment (LCA) 323 13.6 Conclusions 325 References 326 14 Environmental Indicators, Life Cycle Analysis and Ecological Perspective on Biomass Conversion 330 Andreza A. Longati, Ediane S. Alves, Simone C. Myoshi, Andrew M. Elias, Felipe F. Furlan, Everson A. Miranda, and Roberto C. Giordano 14.1 Introduction 330 14.1.1 The Role of Biomass in a Sustainable Economy 330 14.2 Life Cycle Assessment (LCA) 334 14.3 New Brazilian National Biofuel Policy (RenovaBio): A Case Study for Sugarcane Distilleries 338 14.4 Process Systems Engineering Tools for Biomass LCA 341 14.5 Retro Techno- economic Environmental Analysis 343 Acknowledgements 344 References 345 15 Green Consumerism and Role in Uplifting Lignocellulose Bioeconomy 351 BS Dhanya 15.1 Introduction 351 15.2 Lignocellulosic Biomass and its Contribution in Bioeconomy 352 15.2.1 Lignocellulosic Biomass 352 15.2.2 Life Cycle Assessment (LCA) of Lignocellulosic Biomass 355 15.3 Lignocellulosic Bioeconomy and its Sustainability in the World 356 15.3.1 Lignocellulose Bioeconomy in Malaysia 357 15.3.2 Lignocellulose Bioeconomy in Japan 358 15.3.3 Lignocellulose Bioeconomy in European Countries 359 15.4 Green Consumerism and its Upsurge in the Lignocellulosic Bioeconomy 359 15.4.1 Wide Scope in Green Consumerism 360 15.4.2 Government Subsidies 360 15.4.3 Eco- friendly Competitive Advantage 361 15.4.4 Corporate Social Responsibility 361 15.5 Challenges in Green Consumerism 361 15.6 Future Prospects 363 15.7 Conclusion 363 References 364 16 Going Green: Achieving the Circular Economy with Sustainable Biorefineries, Process Scale- Up, and Fermentation Optimization 367 Sreenivas R. Ravella, David N. Bryant, Phil J. Hobbs, Ana Winters, David J. Warren- Walker, and Joe Gallagher 16.1 Introduction 367 16.2 Sustainable Biorefineries and Supply Chain Aspects 368 16.3 Pretreatment of Biomass Using Pilot- Scale Steam Explosion Rigs 370 16.3.1 Steam Explosion (SE) of Miscanthus and Methane Production from Miscanthus as an Example 370 16.3.2 Heat Requirement of Biorefineries 371 16.4 Taguchi Methodology for Process Optimization 372 16.5 Process Automation 372 16.5.1 Automation 372 16.5.1.1 Mobile Phone and Real- time Control 374 16.5.1.2 BrewMonitor® System 374 16.5.2 Process Optimization and Artificial Intelligence 374 16.5.3 Biogas Pilot Plant 376 16.5.4 Sensors 376 16.5.5 Process Control Configuration with LabVIEW and NI Data Acquisition (DAQ) Devices 378 16.5.5.1 Connect Sensors and Signals to a DAQ Device 378 16.5.6 Rule- based Control Structure 378 16.5.7 Pilot Plant Data 379 16.5.8 LabVIEW Application for Laboratory- scale, Pilot- scale and Industrial Fermentations 379 16.5.8.1 LabVIEW Datalogging and Supervisory Control Module 380 16.5.9 Advantages of LabVIEW in Automation and Monitoring Commercial Plants 380 16.6 Microbial Adaptation, Evolution, and Diversity for Process Optimization 381 16.6.1 Microbiology of Volatile Fatty Acids (VFAs) Production in AD 383 16.7 Final Remarks and Conclusions 387 16.7.1 Main Conclusions 388 Acknowledgements 388 References 388 Index 398

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Book SynopsisAnupdated guide to theinteraction between solids, liquids,and gases and their application to numerous everyday processes The revised and updated second edition ofApplied Colloid and Surface Chemistryoffers a comprehensive introduction to this interdisciplinary field that takes a practical approach and includes information on applications drawn from a wide range of industries. The easy-to-follow text contains new content that focuses on applications such as the prevention of propeller cavitation, industrialexplosives, PFAS contamination, and bubble column evaporators. With contributions from noted experts on the topic, the book contains keynote sections written by practicing industrial research scientists, who highlight real-world industrial examples. These examples range from water treatment through to soil management as well as examples from the coatings and photographic industries. Designed as an accessible resource, the book separates the more demanding mathematical derivations from the main text. The text features approachable, structured chapters, learning objectives, tutorial questions with answers, and explanatory notes. This important book: Offers a combination of physicochemical background, industrial,and everyday applications and experimentsUnderlines the importance of colloidal sciences in science and industryPresents real-world industrial applicationsIncludes tried and tested laboratory experiments Written for students ofchemistry, materials science,and engineering,Applied Colloid and Surface Chemistry, Second Editionoffers an updated guide to soft matter presenting the bridge between science, with proven laboratory experiments, and real-world industrial applications.Table of Contents Chapter 1 Introduction: Introduction to the scope and form of the book. The nature of colloids, the linkage between colloids and surface properties, introduction to wetting and surface modifications. Chapter 2 Surface tension and wetting: Equivalence of the force and energy description of surface tension/energy, derivation of the Laplace pressure, methods for determining the surface tension of liquids. The surface energy and cohesion of solids, wetting and the liquid contact angle. Laboratory projects for measuring the surface tension of liquids and liquid contact angles. Chapter 3 The prevention of propeller cavitation: A history of propeller cavitation, the damage and detrimental effects it causes and attempts to reduce it. Theory of cavitation of aqueous and non-aqueous liquids. Prevention of propeller cavitation via local thin film coatings. Chapter 4 Thermodynamics of adsorption: Derivation of the Gibbs Adsorption Isotherm. Determination of the adsorption of surfactants at liquid interfaces. Laboratory project to determine the surface area of the common adsorbent powdered activated charcoal. Chapter 5 Surfactants and self assembly: Introduction to the variety of types of surfactants, effect of surfactants on aqueous solution properties. Law of mass action applied to the self assembly of surfactant molecules in water. Spontaneous self assembly of surfactants in aqueous media. Formation of micelles, vesicles and lamellar structures. Critical packing parameter. Detergency. Laboratory project on determining the charge of a micelle. Chapter 6 PFAS Contamination:Historical use of PFAS compounds and their chemical and biological properties.Surface chemistry in soils and in groundwater. Novel processes for the removal of PFAS compounds from soils and groundwater Chapter 7 Emulsions and microemulsions: The conditions required to form an emulsion of oil and water and a microemulsion. The complex range of structures formed by a microemulsion fluid. Emulsion polymerization and the production of latex paints. Photographic emulsions. Emulsions in food science. Laboratory project on determining the phase behaviour of a microemulsion fluid. Chapter 8 Charged colloids: The generation of colloidal charges in water. The diffuse electrical double layer. The Zeta potential. The flocculation of charged colloids. The interaction between two charged surfaces in water. Laboratory project on the use of microelectrophoresis to measure the zeta potential of a colloid. Chapter 9 Van der Waals forces and colloid stability: Historical development of van der Waals forces. The Lennard-Jones potential. Intermolecular forces. Van der Waals forces between surfaces and colloids. The Hamaker constant. The DLVO theory of colloidal stability. Chapter 10 Bubble coalescence, foams and thin surfactant films: Thin film stability. The effect of surfactants on film and foam stability. Surface elasticity. Froth flotation. The Langmuir trough and monolayer deposition. Laboratory project on the flotation of powdered silica. Chapter 11 Bubble Column Evaporators (BCEs): Theory of bubble columns: their mass and thermal transfer rates and rate of bubble rise. The surprising effects of salt on bubble coalescence. Evaporative cooling and its use in a novel measurement of the enthalpy of vaporization of concentrated salt solutions. Novel industrial applications of BCEs. Experiment 11.1 Determination of the enthalpy of vaporization of concentrated salt solutions. Appendices Appendix 1: Fundamental Constants. Appendix 2: Mathematical notes on the Poisson-Boltzmann equation. Appendix 3: Notes on 3-D differential calculus and the fundamental equations of electrostatics.

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Book SynopsisVoltage-Enhanced Processing of Biomass and Biochar A detailed introduction to voltage-enhanced processing of carbonaceous materials While there are many well-established biomass processing techniques that are suitable for a variety of different situations, the utilization of voltage-driven techniques for the processing of biomass and biochar has been shown to have advantages for certain applications. Specifically, the field of thermal plasma gasificationwhere plasma provides the conversion energyis relied upon in certain commercial equipment that is already available on the market. Crucially, however, the field of non-thermal plasma pyrolysis and gasificationchemical reactions are intensified by the presence of the plasma dischargeis still a developing subject with a great scope for innovation in research and development. A timely book considering its potential applications in a greener market, Voltage-Enhanced Processing of Biomass and Biochar helpfully provides a detailed description of voltage-enhanced processing of carbonaceous materials. The book explains aspects of this processing method in thermal and non-thermal plasmas, as well as describing the effects of Joule heating as part of the temperature distribution and conversion rate. In many ways, this book presents a detailed description of different processes and plasma discharges currently available, with the provision of experimental and simulation results gathered over years of research and development. Importantly, it also offers many methods by which we can be environmentally friendly when working with biomass and biochar. Voltage-Enhanced Processing of Biomass and Biochar readers will also find: Simulation results of Joule heating of biomass, biochar, and pyrolytic graphite Descriptions of thermal plasma torches currently available in the marketAccounts of the experimental results of conversion utilizing steam plasmaComparison of results against provided numerical models that predict synthesis gas composition under the presence of thermal plasma discharge Voltage-Enhanced Processing of Biomass and Biochar is a useful reference for researchers and practitioners working on applications of plasma for the conversion of biomass and biochar, as well as graduate students studying mechanical, electrical, and chemical engineering.Table of ContentsContributors xi Preface xiii Acknowledgments xv Acronyms xvii Introduction xix 1 Carbonaceous Material Characterization 1 1.1 Material Characterization 2 1.1.1 Thermophysical properties 3 1.1.2 Moisture Content 3 1.1.3 Ultimate and Proximate analysis 4 1.1.4 Dielectric and electrical properties 4 1.2 Biomass 6 1.3 Biochar 7 1.3.1 Surface area, cation exchange capacity, and pH 9 1.4 Activated carbon 11 1.5 Pyrolytic graphite 11 Bibliography 12 2 Conventional Processing Methods 21 2.1 Biomass Processing 22 2.1.1 Biomass Pyrolysis 23 2.1.2 Biomass Gasification 26 2.2 Biochar production and post processing 28 2.2.1 Biochar Activation 34 Bibliography 44 3 Introduction to Plasmas 49 3.1 Thermal Plasmas 50 3.1.1 Mathematical model 53 3.2 Non-thermal Plasmas 56 3.2.1 DC non-thermal electrical discharges 59 3.2.2 Dielectric barrier discharge 64 3.2.3 Pulsed discharges 65 3.2.4 Gliding arc 66 3.2.5 Microwave-induced discharges 67 3.3 Impedance matching 68 3.4 Discharges in liquids 71 3.4.1 Contact glow discharge electrolysis 72 3.4.2 Plasma electrolysis with AC power 76 3.4.3 Gliding arc in glycerol for hydrogen generation 77 Bibliography 78 4 Voltage-Enhanced Processing of Biomass 85 4.1 Biomass gasification with thermal plasma 86 4.1.1 Plasma parameters 87 4.1.2 Syngas composition 88 4.1.3 Energy balance 92 4.1.4 Temperature decay in plasma/biomass discharge 95 4.2 Dielectric breakdown of biomass 97 4.2.1 Biomass-in-the-loop 98 4.3 Biomass gasification with non-thermal plasma 99 4.3.1 Tar breakdown 100 4.3.2 Circuit configuration 104 4.3.3 Scaling up of the technology 107 Bibliography 107 5 Voltage-Enhanced Processing of Biochar 113 5.1 DC Power Applied to Biochar 114 5.1.1 Joule heating of biochar 114 5.1.2 Joule heating of activated carbon 118 5.1.3 Recent Trends in Mathematical modelling 150 5.2 Physical activation of biochar with non-thermal plasma 159 5.2.1 Plasma-steam activation 160 Bibliography 162 6 Numerical simulations 167 6.1 Background 167 6.2 Modeling approaches 168 6.2.1 Kinetic approach 169 6.2.2 Fluid model approach 172 6.3 Examples of non-thermal plasma modeling 175 6.3.1 Cathode fall of a DC glow discharge 176 6.3.2 RF plasma discharge 179 6.3.3 Plasma chemistry 185 Bibliography 191 7 Control of plasma systems 195 7.1 Control of thermal plasma torches 196 7.1.1 Dynamics 198 7.1.2 Control 201 7.2 Control of nonthermal plasma discharges 207 7.2.1 Plasma diagnostics 208 7.2.2 AI-based control 209 Bibliography 214

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Book SynopsisETHYLENE IN PLANT BIOLOGY Comprehensive resource detailing the role of ethylene in plant development regulation, gene regulation, root development, stress tolerance, and more Ethylene in Plant Biology presents ethylene research from leading laboratories around the globe to allow readers to gain strong foundational coverage of the topic and aid in further ethylene research as it pertains to plant biology. The work covers general ideas as well as more specific and technical knowledge, detailing the overall role of ethylene in plant biology as a gaseous plant hormone that has emerged as an important signaling molecule which regulates several steps of a plant's life cycle. The ideas covered in the work range from discovery of ethylene, to its wide roles in plant growth and development, all the way to niche topics such as stress acclimation. Written by highly qualified authors in fields directly related to plant biology and research, the work is divided into 20 chapters, with each chapter cTable of ContentsList of Contributors v Preface ix 1 Ethylene Implication in Root Development 1 Aditi Gupta, Anshu Rastogi, and Manjul Singh v 2 Crosstalk of Ethylene and Other Phytohormones in the Regulation of Plant Development 17 Savita Bhardwaj, Dhriti Sharma, Sadaf Jan, Rattandeep Singh, Renu Bhardwaj, and Dhriti Kapoor 3 Ethylene and Regulation of Metabolites in Plants 32 Savita Bhardwaj, Tunisha Verma, and Dhriti Kapoor 4 Ethylene as a Multitasking Regulator of Abscission Processes 49 Agata Kućko, Timothy J. Tranbarger, Juan D. Alché, and Emilia Wilmowicz 5 Ethylene: A Powerful Coordinator of Drought Responses 82 Emilia Wilmowicz, Agata Kućko, Sebastian Burchardt, and Jacek Karwaszewski 6 Current Understanding of Ethylene and Fruit Ripening 109 Shubhra Gupta, Kapil Gupta, Jasminkumar Kheni, and Jogeswar Panigrahi Copyrighted Material 7 Ethylene and ROS Crosstalk in Plant Developmental Processes 125 Kumar Chandra- kuntal 8 Role of Ethylene in Flower and Fruit Development 178 Cecilia Martínez, Alicia García, and Manuel Jamilena 9 Ethylene and Nutrient Regulation in Plants 220 Badar Jahan, Zebus Sehar, Harsha Gautam, Mehar Fatma, Noushina Iqbal, Asim Masood, and Nafees A. Khan 10 Plant Metabolism Adjustment in Exogenously Applied Ethylene under Stress 246 Niharika, N.B. Singh, Ajey Singh, and Shubhra Khare 11 Role of ET and ROS in Salt Homeostasis and Salinity Stress Tolerance and Transgenic Approaches to Making Salt- Tolerant Crops 259 Neeraj Kumar Dubey, Kapil Gupta, Surendra Pratap Singh, Jogeswar Panigrahi , and Satendra Pal Singh 12 Ethylene and Phytohormone Crosstalk in Plant Defense Against Abiotic Stress 277 Nimisha Amist and N.B. Singh 13 Mechanism for Ethylene Synthesis and Homeostasis in Plants: Current Updates 291 Rachana Tripathi, Nisha Agrawal, and Meeta Jain 14 Ethylene and Nitric Oxide Under Salt Stress: Exploring Regulatory Interactions 312 Noushina Iqbal, Peer Saffeullah, and Shahid Umar 15 Ethylene and Metabolic Reprogramming under Abiotic Stresses 345 Nisha Agrawal, Rachana Tripathi, and Meeta Jain 16 Regulation of Thermotolerance Stress in Crops by Plant Growth- Promoting Rhizobacteria Through Ethylene Homeostasis 363 Priyanka Gogoi, Parishmita Gogoi, Archana Yadav, and Ratul Saikia 17 Ethylene: Signaling, Transgenics, and Applications in Crop Improvement 374 Pragati Kumari, Rahul Thakur, Arvind Gupta, Vinay Kumar, Archana Thakur, and Saurabh Yadav 18 Role of Ethylene in Combating Biotic Stress 388 Shivam Jasrotia and Raman Jasrotia 19 Ethylene and Nitric Oxide Crosstalk in Plants under Abiotic Stress 398 Juhie Joshi- Paneri, Kanchan Jumrani, Sunita Kataria, Anita Dubey, and Meeta Jain 20 Polyamine Metabolism and Ethylene Signaling in Plants 420 Ekhlaque A. Khan, Zahra Souri, and Víctor García- Gaytán Index 437

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Book SynopsisTable of ContentsVol 1: 1. Introduction to Nutraceuticals and Natural Products 2. Functional Nutraceuticals: Past, Present and Future 3. Effect of Nutritional Supplements in Health Care 4. Nutraceutical Supplements in Drug Delivery 5. Role of Nanotechnology in Nutraceuticals 6. Nutraceuticals for Prevention and Treatment of Cancer 7. Proangiogenic and Anti-Angiogenic Effect of Small Molecules from Natural Products 8. Nutraceuticals and Natural Product Derivatives for Disease Prevention 9. Encapsulation of Nutraceuticals in Drug Delivery System 10. Liposomal Nanotechnology in Nutraceuticals 11. Bioavailability and Delivery of Nutraceuticals by Nanoparticles 12. Prebiotics and Probiotics: Concepts and Advances 13. Extraction and Purification of Bioactive Ingredients from Natural Products 14. Health Benefits of Turmeric and Ginger 15. Cannabis-Unique Herb with Versatile 16. Marine Nutraceuticals Application Vol 2: 17. Nutraceuticals as Therapeutic Agents 18. Carbohydrates, Proteins and Amino Acids 19. Flavors and Fragrances from Natural Products 20. Nutraceutical Antioxidants as Novel Neuroprotective Agents 21. Flavonoids as Nutraceuticals 22. Current Concepts and Prospects of Herbal Nutraceutical 23. Recent Advances in Extraction of Nutraceuticals from Plants 24. Phytochemicals of Nutraceutical Importance 25. Natural Product Drug Discovery in the Field of Nutraceuticals 26. Trends in use, Pharmacology, and Clinical Applications of Emerging Herbal Nutraceuticals 27. Nanoliposomes and Tocosomes as Multifunctional Nanocarriers for the Encapsulation of Nutraceutical and Dietary Molecules 28. Genetically Modified Products and Non-GMO Products in Nutraceuticals 29. Market Analysis and Concept Developments of Nutraceuticals and Natural Product Derivatives 30. Nutraceutical Formulations and Challenges: Ethical Issues and Intellectual Property Rights 31. Quality assurance of nutraceuticals and natural products and their approval, registration, marketing 32. Intellectual property consideration, regulatory constraints in new product development, and approval procedures in united states and Europe

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Book SynopsisAssembling a great deal of material in one place, this book serves as a valuable guide for chemists and related physical scientists throughout their careers -- covering essential equations, theories, and tools needed for conducting and interpreting contemporary research. Offers a comprehensive and in-depth treatment of the most challenging concepts of chemistryUpdates and revises existing chapters from the prior edition and adds: new chapters on inorganic, organic, and biochemistry; appendices about nuclides and organic reactions; and expanded questions at the end of chaptersHas a complementary website with a solutions manual and PowerPoint presentations for instructorsTable of ContentsPrelims About the companion website Foreword Preface and Philosophy Chapter 1. Fundamental Particles, Fundamental Forces, and Mathematical Tools Chapter 2. Quantum Mechanics Chapter 3. Thermodynamics Chapter 4. Statistical Mechanics Chapter 5. Kinetics, Equilibria, and Electrochemistry Chapter 6. Symmetry Chapter 7. Solid State Physics Chapter 8. Electrical Circuits, Amplifiers, and Computers Chapter 9. Sources, Sensors, and Detection Methods Chapter 10. Instruments Chapter 11. Inorganic Chemistry and Nanomaterials Chapter 12. Organic and Polymer Chemistry and Catalysis Chapter 13. Biochemistry Index

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Book SynopsisA transdisciplinary approach to investigating relationships between biomass burning and human health outcomes Where and when wildfires occur, what pollutants they emit, how the chemistry of smoke changes in the atmosphere, and what impact this air pollution has on human health and well-being are questions explored across different scientific disciplines. Landscape Fire, Smoke, and Health: Linking Biomass Burning Emissions to Human Well-Being is designed to create a foundational knowledge base allowing interdisciplinary teams to interact more effectively in addressing the impacts of air pollution from biomass burning on human health. Volume highlights include: Core concepts, principles, and terminology related to smoke and air quality used in different disciplinesObservational and modeling tools and approaches in fire scienceMethods to sense, model, and map smoke in the atmosphereImpacts of biomass burning smoke on the health and well-being of children and adultsPerspectives from researchers, modelers, and practitionersCase studies from different countriesInformation to support decision-making and policy The American Geophysical Union promotes discovery in Earth and space science for the benefit of humanity. Its publications disseminate scientific knowledge and provide resources for researchers, students, and professionals.Table of ContentsList of Contributors vii Preface xi Acronyms and Abbreviations xiii 1 Bridging Geophysical and Health Sciences to Study the Impacts of Biomass Burning on Human Well- Being Tatiana V Loboda, Nancy H F French, and Robin C Puett 1 Part I From Fires to Emissions 2 Biomass Burning as an Integral Force Amber J Soja, Emily M Gargulinski, and Elizabeth B Wiggins 9 3 Mapping and Characterizing Fire Louis Giglio, David P Roy, Michael L Humber, Evan Ellicott, Maria Zubkova, and Christopher O Justice 37 4 Wildland Fuel Characterization Across Space and Time Susan J Prichard, Eric Rowell, Robert E Keane, Andrew T Hudak, Duncan Lutes, and E Louise Loudermilk 53 5 Biomass Burning Fuel Consumption and Emissions for Air Quality Nancy H F French and Andrew T Hudak 69 Part II From Emissions to Concentrations 6 Surface Monitoring of Fire Pollution Allison E Bredder 91 7 Data Assimilation for Numerical Smoke Prediction Edward J Hyer, Christopher P Camacho, David A Peterson, Elizabeth A Satterfield, and Pablo E Saide 105 8 A Review of Modeling Approaches Used to Simulate Smoke Transport and Dispersion Derek V Mallia and Adam K Kochanski 127 9 Profiles of Operational and Research Forecasting of Smoke and Air Quality Around the World Susan M O’Neill, Peng Xian, Johannes Flemming, Martin Cope, Alexander Baklanov, Narasimhan K Larkin, Joseph K Vaughan, Daniel Tong, Rosie Howard, Roland Stull, Didier Davignon, Ravan Ahmadov, M Talat Odman, John Innis, Merched Azzi, Christopher Gan, Radenko Pavlovic, Boon Ning Chew, Jeffrey S Reid, Edward J Hyer, Zak Kipling, Angela Benedetti, Peter R Colarco, Arlindo Da Silva, Taichu Tanaka, Jeffrey McQueen, Partha Bhattacharjee, Jonathan Guth, Nicole Asencio, Oriol Jorba, Carlos Perez Garcia- Pando, Rostislav Kouznetsov, Mikhail Sofiev, Melissa E Brooks, Jack Chen, Eric James, Fabienne Reisen, Alan Wain, Kerryn McTaggart, and Angus MacNeil 149 Part III From Concentrations to Health Outcomes 10 Assessing Smoke Exposure in Space and Time Patricia D Koman and Nancy H F French 195 11 Wildfire Smoke Toxicology and Health Luke Montrose, Adam Schuller, Savannah M D’Evelyn, and Christopher Migliaccio 217 12 Wildfire Smoke Exposures and Adult Health Outcomes Miriam E Marlier, Natalie Crnosija, and Tarik Benmarhnia 233 13 Health Effects of Wildfire Smoke During Pregnancy and Childhood Amy M Padula and Camille Raynes- Greenow 249 14 State of the Science and Future Directions: From Biomass Fire to Health Outcomes Robin C Puett, Nancy H F French, and Tatiana V Loboda 265 Index 269

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Book SynopsisMore Synthetic Approaches to Nonaromatic Nitrogen Heterocycles An authoritative collection of resources discussing the latest trends in the synthesis of nonaromatic nitrogen heterocycles Widely distributed in nature, nitrogen heterocycles are extremely common in synthetic substances found in pharmaceuticals, agrochemicals, and materials. The literature is evolving rapidly and explores newly emerging structures and medicines. More Synthetic Approaches to Nonaromatic Nitrogen Heterocycles offers R&D professionals the opportunity to easily access a collection of the latest relevant research in the area. In the second two-volume set of this practical reference distinguished researcher Dr. Ana Maria M. M. Faisca Phillips delivers a collection of resources focusing on the newest and most widely applicable trends emerging in synthetic strategies for nonaromatic nitrogen heterocycles. With coverage of topics including organocatalysis, cascade reactions, flow cheTable of ContentsList of Contributors Preface List of Common Abbreviations PART 1: CASCADE REACTIONS 1 Unity is Strength: The Case of Cascade Reactions Combined with C–H Activation 1 Emanuele Casali, Ervis Saraci and Giuseppe Zanoni 1.1 Introduction 1.2 Rhodium Promoted Reactions 1.3 Palladium Promoted Reactions 1.4 Ruthenium Promoted Reactions 1.5 Cobalt Promoted Reactions 1.6 Miscellaneous References 2 Chemo-enzymatic Cascade Reactions for the Synthesis of Chiral Intermediates and Nonaromatic Nitrogen Heterocycles Rodrigo O.M.A. de Souza, Raquel A.C. Leão, Marcelo A. Nascimento, Alexandre de S. França, Amanda S. de Miranda, Ivaldo I. Junior 2.1 Introduction 2.2 C–N Bond Construction Enzymes 2.3 C–N Deracemization Enzymes 2.4 Cascade Reactions 2.4.1 Enzymatic Cascade Reactions 2.4.2 Chemoenzymatic Cascade Reactions References 3 Asymmetric Organocatalytic Cascade Reactions for the Synthesis of Nitrogen Heterocycles A. M. M. M. Faisca Phillips 3.1 Introduction 3.2 Three-membered Ring Heterocycles: Aziridines 3.3 Four-membered Ring Heterocycles: The β-lactams 3.4 Five-membered Rings 3.4.1 Pyrrolidines 3.4.2 Pyrrolidinones (-Lactams) 3.4.3 Isoindolinones and Spirooxindoles 3.5 Six-membered Rings 3.5.1 Piperidines, Dihydropyridines and Tetrahydropyridines 3.5.2 Piperidinones (-lactams) 3.5.3 Dihydropyridinones 3.5.4 Tetrahydroquinolines, Dihydroquinolines and Related Substances 3.5.5 Hexahydropyridazines and Pyrimidinones 3.6 Pyrrolo[3,2,1-ij]quinolines 3.7 Cyclic Sulfamidates 3.8 Miscellaneous Conclusion References PART 2: SELECTED REACTIONS FOR THE SYNTHESIS OF NITROGEN HETEROCYCLES 4 Synthesis of Nitrogen-Heterocycles Based on N-Heterocyclic Carbene Organocatalysis Hideto Miyabe 4.1 Introduction 4.2 NHC-catalyzed Cyclization 4.3 NHC-catalyzed Annulation 4.3.1 [3 + 2] Annulation 4.3.2 [4 + 2] Annulation 4.3.3 [3 + 3] Annulation 4.3.4 [4 + 3] Annulation 4.3.5 [2 + 2] Annulation 4.4 Oxidative NHC-catalyzed Annulation 4.4.1 Oxidative [3 + 2] Annulation 4.4.2 Oxidative [4 + 2] Annulation 4.4.3 Oxidative [3 + 3] Annulation 4.4.4 Oxidative [4 + 3] Annulation 4.4.5 Oxidative [2 + 2] Annulation 4.5 Asymmetric Dearomatization 4.6 Cooperative Catalysis of NHC and Transition-Metal Catalysts 4.7 Other NHC-catalyzed Reactions 4.8 Conclusion and Outlook References 5 Synthesis of N-Heterocycles via [3 + n] Cycloaddition Reactions of Vinyl Metal Carbene Intermediates Ming Bao, Su Zhou, and Xinfang Xu 5.1 Introduction 5.2 [3 + 1]-Cycloaddition 5.3 [3 + 2]-Cycloaddition 5.4 [3 + 3]-Cycloaddition 5.4.1 [3 + 3]-Cycloaddition with Nitrone 5.4.2 [3 + 3]-Cycloaddition with Azomethine Imines 5.4.3 [3 + 3]-Cycloaddition with Other 1,3-Dipoles 5.5 [3 + 4]-Cycloaddition 5.5.1 [3 + 4]-Cycloaddition with N-Heterocycles 5.5.2 [3 + 4]-Cycloaddition with α,-Unsaturated Imines 5.5. Other Types of [3 + 4]-Cycloadditions 5.6 [3 + 5]-Cycloaddition 5.7 Intramolecular Cyclization via Carbene/Alkyne Metathesis Process 5.8 Summary and Outlook References 6 Recent Progress in the Synthesis of Amine-containing Heterocycles by Metathesis Reactions Zeyue Zhang, Damien Hazelard, and Philippe Compain 6.1 Introduction 6.2 Five-membered Cyclic Amines 6.3 Six-membered Cyclic Amines 6.3.1 Natural Products and Related Compounds 6.3.2 Sugar Mimetics 6.3.3 RCM of Phenylamines and Related Analogues 6.3.4 Miscellaneous 6.4 Seven-membered to Macrocyclic Amines 6.5 Tandem Reactions 6.6 Conclusion References 7 Metal-Catalyzed Synthesis of N-Heterocycles Via Borrowing-Hydrogen Annulation A. Sofia Santos, Daniel Raydan, Nuno Viduedo, M. Manuel B. Marques, and Beatriz Royo 7.1 Introduction 7.2 Metal-Catalyzed Borrowing Hydrogen Annulation Reactions 7.2.1 Rh-Catalyzed Borrowing Hydrogen Reactions 7.2.2 Ru-Catalyzed Borrowing Hydrogen Reactions 7.2.3 Ir-Catalyzed Borrowing Hydrogen Reactions 7.2.4 Fe-Catalyzed Borrowing Hydrogen Reactions 7.2.5 Ni-Catalyzed Borrowing Hydrogen Reactions 7.3 Conclusions References 8 Synthesis of N-Heterocycles Via Metal-Catalyzed Intramolecular Buchwald-Hartwig C-N Cross Coupling Reactions Auxiliadora Prieto 8.1 Introduction 8.2. Applications of Intramolecular Pd-Catalyzed N-Arylation of amine in the Synthesis of Nonaromatic Heterocycles. 8.2.1. Synthesis of Five-membered N-Heterocycles. 8.2.2. Synthesis of Six-membered N-Heterocycles. 8.2.3. Applications in the Synthesis of both Five- and Six-membered N-Heterocycles 8.2.4. Synthesis of Seven-membered N-Heterocycles 8.3. Applications of Intramolecular Pd-Catalyzed N-arylation of amide in the Synthesis of Nonaromatic Heterocycles. 8.3.1. Applications in the Synthesis of Five-membered N-Heterocycles. 8.3.2. Application in the Synthesis of Six-membered N-Heterocycles 8.3.3. Application in the Synthesis of Seven-membered N-Heterocycles 8.4. Intramolecular Pd-Catalyzed Arylation of Sulfonamides. 8.5 Applications of the Intramolecular Buchwald-Hartwig Amination in the Synthesis of Natural Products. 8.6 Conclusion References 9 Synthesis of Nonaromatic Nitrogen Heterocycles Via Singlet Oxygen João Tomé, Kelly A.D.F. Castro, Leandro M. O. Lourenço, Roberto Santana Da Silva, 9.1 Introduction 9.2 Singlet Oxygen on Organic Synthesis 9.2.1 Oxidation of Bipyrroles 9.2.2 Synthesis of (R)-methylnaltrexone 9.2.3 Synthesis of Glochidine and Glochidicine 9.2.4 Synthesis of γ-lactams via One-pot Synthesis 9.2.5 Synthesis of the Melohenine B 9.2.6 Synthesis of Pyrrolidine Derivatives by [2 + 3] Cycloaddition, via 1O2 Mediated 1,3-dipole 9.2.7 Synthesis of Pandamarine 9.2.8 Preparation of Bicyclic Lactam 9.2.9 Synthesis of Alkaloids 9.2.10 Synthesis of Azaspiro Frameworks 9.2.11 Preparation of Tetrahydropyranopyrrolones 9.2.12 Synthesis of 2-oxindoles 9.2.13 Synthesis of Several Natural Products from an Amino Furan Derivative 9.2.14 Synthesis of Peptide-fluorescent Probes 9.2.15 Synthesis of Tetrahydroquinoline 9.3 Conclusion References 10 Cobalt-catalysed Carbonylation for the Synthesis of N-Heterocyclic Compounds Anup Paul and Armando J.L. Pombeiro 1. Introduction 2. Cobalt-catalysed Carbonylation for the Synthesis of N-heterocyclic Compounds Using CO Gas as CO source 3. Cobalt-catalysed Carbonylation for the Snthesis of N-heterocycles Using CO Surrogates 4. Conclusions References 11 Enantioselective Synthesis of Nitrogen Heterocycles Using Chiral Hypervalent Iodine Reagents Ana Maria Faisca Phillips and Armando J.L. Pombeiro 11.1 Introduction 11.2 The Historical Development of Chiral Hypervalent Iodine Reagents 11.3 Synthesis with Chiral Hypervalent Iodine Reagents 11.3.1 Difunctionalization of Alkenes 11.3.2 Dearomatization Reactions 11.3.3 α-Functionalization of Carbonyl Compounds 11.4 Conclusion References PART III. SPECIAL TECHNIQUES 12 Continuous Flow Chemistry Marcus Baumann 12.1 Introduction To Modern Flow Chemistry 12.2 Value of Heterocyclic Chemistry for Modern Drug Discovery Programs 12.3 Case Studies of Flow Chemistry Applied to Heterocyclic Targets 12.3.1 Flow Synthesis of Three-membered Saturated Heterocycles 12.3.2 Flow Synthesis of Four-membered Saturated Heterocycles 12.3.3 Flow Synthesis of Five-membered Saturated Heterocycles 12.3.4 Flow Synthesis of Six-membered Saturated Heterocycles 12.3.5 Flow Synthesis of Seven-membered Saturated Heterocycles 12.3.6 Flow Synthesis of Macrocyclic Saturated Heterocycles 12.4 Assessment of the Merits of Continuous Flow Processing for Heterocycle Synthesis 12.5 Summary and Conclusions References 13 The Electrochemical Synthesis of Non-Aromatic N-Heterocycles Oana R. Luca 13.1 Introduction 13.2 Laws of Organic Electrosynthesis 13.2.1 Types of Electrolyses 13.2.2 Diagnostic Analytical Methods: Voltammetry 13.3. Construction of Three- and Four Membered Non-Aromatic Heterocycles 13.3.1 Aziridines 13.3.2 Epoxides 13.3.3 Azetidines 13.4 Construction of Five Six and Seven Membered Non-Aromatic Heterocycles 13.4.1 Pyrrolidines 13.4.2 Indolines and dihydrobenzofurans 13.4.3 Pyrrolidinones, 5-membered Cyclic Carbamates and Derivatives 13.4.4 Tetrahydrooxazole and Tetrahydrooxazine Derivatives 13.4.5 6-membered Amides, Carbamates, and Derivatives 13.5 Construction of Nonaromatic Heterocycles with Fused Polycyclic Systems 13.5.1 Nonaromatic Heterocycles from Phtalimides and Succinimides 13.5.2 Polyciclic Peptides 13.5.3 Polyclic Ureas 13.5.5 Ring-fused Quinones Conclusion References 14 Asymmetric Organocatalysis in Alternative Media Luis C. Branco, Verônica Diniz, Karolina Zalewska, and Miguel M. Santos 14.1 Introduction 14.2 Water as Reaction Medium 14.3 Ionic Liquids as Alternative Media 14.4 Miscellaneous Alternative Reaction Media 14.5 Conclusions References PART IV. SYNTHETIC METHODS FOR SPECIAL COMPOUND CLASSES 15 The Strained Aziridinium Ion Jala Ranjith and Hyun-Joon Ha 15.1 Introduction 15.2 Formation of Aziridinium Ions 15.3 Ring Opening of Aziridinium Ion 15.4 Synthetic Applications 15.5 Bicyclic Aziridinium Ion and its Application Ackowledgments References 16 Recent advances on the synthesis of azepane-based compounds Maria Assunta Chiacchio, Laura Legnani, Ugo Chiacchio, and Daniela Iannazzo 16.1 Introduction 16.2 Azepane Synthesis 16.2.1 Synthesis of Substituted Azepanes 16.2.2 Synthesis of Ring-fused Azepanes 16.2.3 Synthesis of Azepane-based Alkaloids Conclusion 17 1,4-Diazepane Ring-based Systems Eduarda M.P. Silva, Pedro A.M.M. Varandas, and Artur M.S. Silva 17.1 Introduction 17.2 Reductive Amination 17.3 Mitsunobu Amination 17.4 1,3-Dipolar Cycloaddition 17.5 Multicomponent Reactions 17.6 Other Methods Conclusions References 18 Transition Metal Promoted Synthesis of Isoindoline Derivatives Laura A. Aronica and Gianluigi Albano 18.1 Introduction 18.2 Synthesis of Isoindolines 18.2.1 [2+2+2] Cycloaddition Reactions 18.2.2 Transition Metal-promoted Diels-Alder reactions 18.2.3 Transition Metal-promoted Cyclization of Ortho-substituted Benzyl Amines (and Derivatives) 18.2.4 Transition Metal-promoted 5-exo-dig Cyclization by C-C Bond Formation 18.2.5 Miscellaneous 18.2.6 Conclusions and Perspectives References 19 1,2-Benzisothiazole 1,1-Dioxide (Saccharinate)-Based Compounds: Synthesis, Reactivity and Applications Luís M.T. Frija, André L. Fernandes, Bruno Guerreiro, and M. Lurdes S. Cristiano 19.1 Introduction 19.2 Synthesis of Saccharinate-based Conjugates 19.3 Applications 19.3.1 Ionic Liquids 19.3.2 Coordination Chemistry 19.3.3 Biological Activity and Medical Uses 19.4 Concluding Remarks References 20 Fused Heterocycles Arruje Hameed, Muhammad Abdul Qayyum, Abdur Rehman, Touseef Ur Rehman, Anwar Ahmad, and Tahir Farooq 20.1 Introduction 20.1 Recent Developments for Facile Synthesis and Applications of 1,2,4-Triazole Fused Heterocycles 20.1.1 1,2,4-Triazole-fused Heterocycles as Energetic Materials 20.1.2 1,2,4-Triazole-fused Heterocycles as Building Blocks 20.2 Recent Developments for Facile Synthesis of 1,2,3-Triazole-fused Heterocycles 20.2.1 1,2,3-Triazole-fused Heterocycles as Bioactive Scaffolds 20.2.2 1,2,3-Triazole-fused Heterocycles as Functional Materials 20.3 Conclusion References 21 Recent Advances in the Design and Synthesis of Cyclic Peptidomimetics Arruje Hameed, Amjad Hameed, Ghulam Hussain, Hafiz Abdul Qayyum, Muhammad Fayyaz Farid, and Tahir Farooq 21.1 Introduction 21.2 Click-mediated Approaches for Cyclic Peptidomimetics 21.3 Enzyme-mediated Approaches for Cyclic Peptidomimetics 21.4 Solid-phase Synthesis of Cyclic Peptidomimetics 21.5 Conclusion References

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Book SynopsisTable of ContentsList of Contributors xiii Preface xvii Introduction and Brief Summary of the LIBS Development 1 Part I Introduction to LIBS 5 1 LIBS Fundamentals 7Mohamad Sabsabi 1.1 Interaction of Laser Beam with Matter 8 1.2 Basics of Laser–Matter Interaction 9 1.3 Processes in Laser-Produced Plasma 10 1.4 Factors Affecting Laser Ablation and Laser-Induced Plasma Formation 11 1.4.1 Influence of Laser Parameters on the Laser-Induced Plasmas 11 1.4.2 Laser Wavelength (λ) 12 1.4.3 Laser Pulse Duration (τ) 12 1.4.4 Laser Energy (E) 13 1.4.5 Influence of Ambient Gas 13 1.5 Plasma Properties and Plasma Emission Spectra 14 References 15 2 LIBS Instrumentations 19Mohamad Sabsabi and Vincenzo Palleschi 2.1 Basics of LIBS instrumentations 19 2.2 Lasers in LIBS Systems 20 2.3 Desirable Requirements for Atomic Emission Spectrometers/Detectors 22 2.4 Spectrometers 23 2.4.1 Czerny–Turner Optical Configuration 23 2.4.2 Paschen–Runge Design 24 2.4.3 Echelle Spectrometer Configuration 25 2.5 Detectors 26 2.5.1 Photomultiplier Detectors 26 2.5.2 Solid-State Detectors 27 2.5.3 The Interline CCD Detectors 27 2.5.3.1 The Image Intensifier 28 References 29 3 Applications of LIBS 31Vincenzo Palleschi and Mohamad Sabsabi 3.1 Industrial Applications 31 3.1.1 Metal Industry 31 3.1.2 Energy Production 34 3.2 Biomedical Applications 34 3.3 Geological and Environmental Applications 36 3.4 Cultural Heritage and Archaeology Applications 37 3.5 Other Applications 37 References 38 Part II Simplications of LIBS Information 45 4 LIBS Spectral Treatment 47Sabrina Messaoud Aberkane, Noureddine Melikechi and Kenza Yahiaoui 4.1 Introduction 47 4.2 Baseline Correction 47 4.2.1 Polynomial Algorithm 48 4.2.2 Model-free Algorithm 49 4.2.3 Wavelet Transform Model 52 4.3 Noise Filtering 55 4.3.1 Wavelet Threshold De-noising (WTD) 55 4.3.2 Baseline Correction and Noise Filtering 59 4.4 Overlapping Peak Resolution 60 4.4.1 Curve Fitting Method 61 4.4.2 The Wavelet Transform 64 4.5 Features Selection 66 4.5.1 Principal Component Analysis 68 4.5.2 Genetic Algorithm (GA) 68 4.5.3 Wavelet Transformation (WT) 68 References 71 5 Principal Component Analysis 81Mohamed Abdel-Harith and Zienab Abdel-Salam 5.1 Introduction 81 5.1.1 Laser-Induced Breakdown Spectroscopy (LIBS) 81 5.2 The Principal Component Analysis (PCA) 82 5.3 PCA in Some LIBS Applications 83 5.3.1 Geochemical Applications 83 5.3.2 Food and Feed Applications 85 5.3.3 Microbiological Applications 88 5.3.4 Forensic Applications 91 5.4 Conclusion 94 References 94 6 Time-Dependent Spectral Analysis 97Fausto Bredice, Ivan Urbina, and Vincenzo Palleschi 6.1 Introduction 97 6.2 Time-Dependent LIBS Spectral Analysis 98 6.2.1 Independent Component Analysis 98 6.2.2 3D Boltzmann Plot 102 6.2.2.1 Principles of the Method 103 6.3 Applications 109 6.3.1 3D Boltzmann Plot Coupled with Independent Component Analysis 109 6.3.2 Analysis of a Carbon Plasma by 3D Boltzmann Plot Method 109 6.3.3 Assessment of the LTE Condition Through the 3D Boltzmann Plot Method 114 6.3.4 Evaluation of Self-Absorption 114 6.3.5 Determination of Transition Probabilities 118 6.3.6 3D Boltzmann Plot and Calibration-free Laser-induced Breakdown Spectroscopy 121 6.4 Conclusion 123 References 123 Part III Classification by LIBS 127 7 Distance-based Method 129Hua Li and Tianlong Zhang 7.1 Cluster Analysis 132 7.1.1 Introduction 132 7.1.2 Theory 133 7.1.2.1 K-means Clustering 133 7.1.2.2 Hierarchical Clustering 134 7.1.3 Application 135 7.2 Independent Components Analysis 138 7.2.1 Introduction 138 7.2.2 Theory 138 7.2.3 Application 140 7.3 K-Nearest Neighbor 143 7.3.1 Introduction 143 7.3.2 Theory 143 7.3.3 Application 145 7.4 Linear Discriminant Analysis 145 7.4.1 Introduction 145 7.4.2 Theory 148 7.4.2.1 The Calculation Process of LDA (Two Categories) 148 7.4.3 Application 151 7.5 Partial Least Squares Discriminant Analysis 153 7.5.1 Introduction 153 7.5.2 Theory 155 7.5.3 Application 157 7.6 Principal Component Analysis 161 7.6.1 Introduction 161 7.6.2 Theory 164 7.6.3 Application 166 7.7 Soft Independent Modeling of Class Analogy 174 7.7.1 Introduction 174 7.7.2 Theory 175 7.7.3 Application 177 7.8 Conclusion and Expectation 180 References 181 8 Blind Source Separation in LIBS 189Anna Tonazzini, Emanuele Salerno, and Stefano Pagnotta 8.1 Introduction 189 8.2 Data Model 193 8.3 Analyzing LIBS Data via Blind Source Separation 193 8.3.1 Second-order BSS 193 8.3.2 Maximum Noise Fraction 194 8.3.3 Independent Component Analysis 196 8.3.4 ICA for Noisy Data 197 8.4 Numerical Examples 197 8.5 Final Remarks 206 References 207 9 Artificial Neural Networks for Classification 213Jakub Vrábel, Erik Képeš, Pavel Pořízka, and Jozef Kaiser 9.1 Introduction and Scope 213 9.2 Artificial Neural Networks (ANNs) 214 9.3 Cost Functions and Training 216 9.4 Backpropagation 219 9.5 Convolutional Neural Networks 221 9.6 Evaluation and Tuning of ANNs 224 9.7 Regularization 227 9.8 State-of-the-art LIBS Classification Using ANNs 229 9.9 Summary 233 Acknowledgments 234 References 234 10 Data Fusion: LIBS + Raman 241Beatrice Campanella and Stefano Legnaioli 10.1 Introduction 241 10.2 Data Fusion Background 242 10.3 Data Treatment 244 10.4 Working with Images 245 10.4.1 Vectors Concatenation 246 10.4.2 Vectors Co-addition 246 10.4.3 Vectors Outer Sum 246 10.4.4 Vectors Outer Product 247 10.4.5 Data Analysis 247 10.5 Applications 248 10.6 Conclusion 253 References 253 Part IV Quantitative Analysis 257 11 Univariate Linear Methods 259Stefano Legnaioli, Asia Botto, Beatrice Campanella, Francesco Poggialini, Simona Raneri, and Vincenzo Palleschi 11.1 Standards 259 11.2 Matrix Effect 260 11.3 Normalization 261 11.4 Linear vs. Nonlinear Calibration Curves 264 11.5 Figures of Merit of a Calibration Curve 267 11.5.1 Coefficient of Determination 270 11.5.2 Root Mean Squared Error of Calibration 270 11.5.3 Limit of Detection 270 11.6 Inverse Calibration 273 11.7 Conclusion 274 References 274 12 Partial Least Squares 277Zongyu Hou, Weiran Song, and Zhe Wang 12.1 Overview 277 12.2 Partial Least Squares Regression Algorithms 278 12.2.1 Nonlinear Iterative PLS 278 12.2.2 SIMPLS Algorithm 279 12.2.3 Kernel Partial Least Squares 279 12.2.4 Locally Weighted Partial Least Squares 280 12.2.5 Dominant Factor-based Partial Least Squares 281 12.3 Partial Least Squares Discriminant Analysis 282 12.4 Results of Partial Least Squares in LIBS 283 12.4.1 Coal Analysis 283 12.4.2 Metal Analysis 285 12.4.3 Rocks, Soils, and Minerals Analysis 285 12.4.4 Organics Analysis 291 12.5 Conclusion 291 References 295 13 Nonlinear Methods 303Francesco Poggialini, Asia Botto, Beatrice Campanella, Stefano Legnaioli, Simona Raneri, and Vincenzo Palleschi 13.1 Introduction 303 13.2 Multivariate Nonlinear Algorithms 304 13.2.1 Artificial Neural Networks 304 13.2.1.1 Conventional Artificial Neural Networks 304 13.2.1.2 Convolutional Neural Networks 310 13.2.2 Other Nonlinear Multivariate Approaches 312 13.2.2.1 The Franzini–Leoni Method 312 13.2.2.2 The Kalman Filter Approach 313 13.2.2.3 Calibration-Free Methods 314 13.3 Conclusion 315 References 316 14 Laser Ablation-based Techniques – Data Fusion 321Jhanis Gonzalez 14.1 Introduction 321 14.2 Data Fusion of Multiple Analytical Techniques 322 14.2.1 Low-level Fusion 322 14.2.2 Mid-level Fusion 323 14.2.3 High-level Fusion 324 14.3 Data Fusion of Laser Ablation-Based Techniques 324 14.3.1 Introduction 324 14.3.2 Classification of Edible Salts 326 14.3.2.1 LIBS and LA-ICP-MS Measurements of the Salt Samples 327 14.3.2.2 Mid-Level Data Fusion of LIBS and LA-ICP-MS of Salt Samples 327 14.3.2.3 PLS-DA Classification Model for Salt Samples 333 14.3.3 Coal Discrimination Analysis 334 14.3.3.1 LIBS and LA-ICP-TOF-MS Measurements of the Coal Samples 335 14.3.3.2 Mid-Level Data Fusion of LIBS and LA-ICP-TOF-MS of Coal Samples 335 14.3.3.3 PCA Combined with K-means Cluster Analysis for Coal Samples 338 14.3.3.4 PLS-DA and SVM for Coal Samples Analysis 340 14.4 Comments and Future Developments 341 Acknowledgments 343 References 343 Part V Conclusions 347 15 Conclusion 349Vincenzo Palleschi Index 351

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Book SynopsisMODERN FORENSIC TOOLS AND DEVICES The book offers a comprehensive overview of the latest technologies and techniques used in forensic investigations and highlights the potential impact of these advancements on the field. Technology has played a pivotal role in advancing forensic science over the years, particularly in modern-day criminal investigations. In recent years, significant advancements in forensic tools and devices have enabled investigators to gather and analyze evidence more efficiently than ever. Modern Forensic Tools and Devices: Trends in Criminal Investigation is a comprehensive guide to the latest technologies and techniques used in forensic science. This book covers a wide range of topics, from computer forensics and personal digital assistants to emerging analytical techniques for forensic samples. A section of the book provides detailed explanations of each technology and its applications in forensic investigations, along with case studiTable of ContentsPreface xix 1 Computer Forensics and Personal Digital Assistants 1 Muhammad Qadeer, Chaudhery Ghazanfer Hussain and Chaudhery Mustansar Hussain 1.1 Introduction 2 1.1.1 Computer and Digital Forensics 2 1.2 Digital Forensics Classification 3 1.3 Digital Evidence 8 1.4 Information Used in Investigation to Find Digital Evidence 8 1.5 Short History of Digital/Computer Forensics 10 1.6 The World of Crimes 12 1.6.1 Cybercrimes vs. Traditional Crimes 12 1.7 Computer Forensics Investigation Steps 15 1.8 Report Generation of Forensic Findings Through Software Tools 17 1.9 Importance of Forensics Report 18 1.10 Guidelines for Report Writing 18 1.11 Objectives of Computer Forensics 19 1.12 Challenges Faced by Computer Forensics 20 References 20 2 Network and Data Analysis Tools for Forensic Science 23 Shrutika Singla, Shruthi Subhash and Amarnath Mishra 2.1 Introduction 23 2.2 Necessity for Data Analysis 25 2.2.1 Operational Troubleshooting 25 2.2.2 Log Monitoring 25 2.2.3 Data Recovery 25 2.2.4 Data Acquisition 25 2.3 Data Analysis Process 26 2.3.1 Acquisition 26 2.3.2 Examination 26 2.3.3 Utilization 26 2.3.4 Review 26 2.4 Network Security and Forensics 26 2.5 Digital Forensic Investigation Process 27 2.5.1 Data Identification 28 2.5.2 Project Planning 28 2.5.3 Data Capture 29 2.5.4 Data Processing 29 2.5.5 Data Analysis 29 2.5.6 Report Generation 29 2.6 Tools for Network and Data Analysis 29 2.6.1 EnCase Forensic Imager Tool 30 2.6.2 Cellebrite UFED 31 2.6.3 FTK Imager Tool 31 2.6.4 Paladin Forensic Suite 32 2.6.5 Digital Forensic Framework (DFF) 32 2.6.6 Forensic Imager Tx 1 32 2.6.7 Tableau TD2U Forensic Duplicator 32 2.6.8 Oxygen Forensics Detective 33 2.6.9 SANS Investigative Forensic Toolkit (SIFT) 33 2.6.10 Win Hex 33 2.6.11 Computer Online Forensic Evidence Extractor (COFEE) 34 2.6.12 WindowsSCOPE Toolkit 34 2.6.13 ProDiscover Forensics 34 2.6.14 Sleuth Kit 35 2.6.15 Caine 35 2.6.16 Magnet RAM Capture 35 2.6.17 X-Ways Forensics 36 2.6.18 WireShark Tool 36 2.6.19 Xplico 36 2.6.20 e-Fensee 36 2.7 Evolution of Network Data Analysis Tools Over the Years 37 2.8 Conclusion 37 References 38 3 Cloud and Social Media Forensics 41 Nilay Mistry and Sureel Vora 3.1 Introduction 42 3.2 Background Study 42 3.2.1 Social Networking Trend Among Users 42 3.2.2 Pros and Cons of Social Networking and Chat Apps 43 3.2.3 Privacy Issues in Social Networking and Chat Apps 44 3.2.4 Usefulness of Personal Information for Law Enforcements 45 3.2.5 Cloud Computing and Social Media Applications 45 3.2.5.1 SaaS Model 45 3.2.5.2 PaaS Model 46 3.2.5.3 IaaS Model 46 3.3 Technical Study 46 3.3.1 User-Agent and Its Working 46 3.3.2 Automated Agents and Their User-Agent String 47 3.3.3 User Agent Spoofing and Sniffing 47 3.3.4 Link Forwarding and Rich Preview 47 3.3.5 WebView and its User Agent 48 3.3.6 HTTP Referrer and Referring Page 48 3.3.7 Application ID 48 3.4 Methodology 49 3.4.1 Testing Environment 49 3.4.2 Research and Analysis 49 3.4.2.1 Activities Performed 51 3.4.2.2 Information Gathered 52 3.4.2.3 Analysis of Gathered Information 53 3.4.3 Activity Performed - Opening the Forwarded Link 59 3.5 Protection Against Leakage 60 3.6 Conclusion 60 3.7 Future Work 61 References 61 4 Vehicle Forensics 65 Disha Bhatnagar and Piyush K. Rao 4.1 Introduction 65 4.1.1 Motives Behind Vehicular Theft 67 4.1.1.1 Insurance Fraud 67 4.1.1.2 Resale and Export 67 4.1.1.3 Temporary Transportation 68 4.1.1.4 Commitment of Another Crime 68 4.2 Intervehicle Communication and Vehicle Internal Networks 68 4.3 Classification of Vehicular Forensics 70 4.3.1 Automative Vehicle Forensics 71 4.3.1.1 Live Forensics 71 4.3.1.2 Post-Mortem Forensics 71 4.3.1.3 Physical Tools for Forensic Investigation 73 4.3.2 Unmanned Aerial Vehicle Forensics (UAV)/Drone Forensics 74 4.3.2.1 Methodology 74 4.3.2.2 Steps Involved in Drone Forensics 75 4.3.2.3 Challenges in UAV Forensics 76 4.4 Vehicle Identification Number 76 4.4.1 Placement in a Vehicle and Usage of a VIN 77 4.4.2 Vehicle Identification 78 4.4.2.1 Federal Motor Vehicle Safety Certification Label 79 4.4.2.2 Anti-Theft Label 79 4.4.2.3 Stamping on Vehicle Parts 79 4.4.2.4 Secondary and Confidential VIN 79 4.5 Serial Number Restoration 79 4.5.1 Restoration Methods 80 4.5.1.1 Chemical Etching 80 4.5.1.2 Electrolytic Etching 81 4.5.1.3 Heat Treatment 81 4.5.1.4 Magnetic Particle Method 81 4.5.1.5 Electron Channeling Contrast 81 4.6 Conclusion 81 References 82 5 Facial Recognition and Reconstruction 85 Payal V. Bhatt, Piyush K. Rao and Deepak Rawtani 5.1 Introduction 86 5.2 Facial Recognition 86 5.3 Facial Reconstruction 87 5.4 Techniques for Facial Recognition 88 5.4.1 Image-Based Facial Recognition 89 5.4.1.1 Appearance-Based Method 89 5.4.1.2 Model-Based Method 90 5.4.1.3 Texture-Based Method 90 5.4.2 Video-Based Facial Recognition 91 5.4.2.1 Sequence-Based Method 91 5.4.2.2 Set-Based Method 92 5.5 Techniques for Facial Reconstruction 92 5.5.1 Manual Method 93 5.5.2 Graphical Method 94 5.5.3 Computerized Method 94 5.6 Challenges in Forensic Face Recognition 95 5.6.1 Facial Aging 96 5.6.2 Face Marks 97 5.6.3 Forensic Sketch Recognition 97 5.6.4 Face Recognition in Video 98 5.6.5 Near Infrared (NIR) Face Recognition 99 5.7 Soft Biometrics 99 5.8 Application Areas of Facial Recognition 100 5.9 Application of Facial Reconstruction 101 5.10 Conclusion 102 References 102 6 Automated Fingerprint Identification System 107 Piyush K. Rao, Shreya Singh, Aayush Dey, Deepak Rawtani and Garvita Parikh Abbreviations 108 6.1 Introduction 108 6.2 Ten-Digit Fingerprint Classification 110 6.3 Henry Faulds Classification System 110 6.4 Manual Method for the Identification of Latent Fingerprint 111 6.5 Need for Automation 112 6.6 Automated Fingerprint Identification System 112 6.7 History of Automatic Fingerprint Identification System 113 6.8 Automated Method of Analysis 113 6.9 Segmentation 114 6.10 Enhancement and Quality Assessment 115 6.11 Feature Extraction 117 6.12 Latent Fingerprint Matching 118 6.13 Latent Fingerprint Database 120 6.14 Conclusion 120 References 121 7 Forensic Sampling and Sample Preparation 125 Disha Bhatnagar, Piyush K. Rao and Deepak Rawtani 7.1 Introduction 126 7.2 Advancement in Technologies Used in Forensic Science 126 7.3 Evidences 127 7.3.1 Classification of Evidences 127 7.3.1.1 Direct Evidence 127 7.2.1.2 Circumstantial Evidence 127 7.4 Collection of Evidences 129 7.4.1 Sampling Methods 130 7.5 Sample Preparation Techniques for Analytical Instruments 133 7.5.1 Conventional Methods of Sample Preparation 134 7.5.2 Solvent Extraction 134 7.5.2.1 Distillation 135 7.5.2.2 Acid Digestion 135 7.5.2.3 Solid Phase Extraction 136 7.5.2.4 Soxhlet Extraction 137 7.5.3 Modern Methods of Sample Preparation 138 7.5.3.1 Accelerated Solvent Extraction 138 7.5.3.2 Microwave Digestion 138 7.5.3.3 Ultrasonication-Assisted Extraction 139 7.5.3.4 Microextraction 139 7.5.3.5 Supercritical Fluid Extraction 142 7.5.3.6 QuEChERS 143 7.5.3.7 Membrane Extraction 143 7.6 Conclusion 144 7.7 Future Perspective 144 References 145 8 Spectroscopic Analysis Techniques in Forensic Science 149 Payal V. Bhatt and Deepak Rawtani 8.1 Introduction 150 8.2 Spectroscopy 150 8.2.1 Spectroscopy and its Applications 153 8.3 Spectroscopy and Forensics 155 8.4 Spectroscopic Techniques and their Forensic Applications 156 8.4.1 X-Ray Absorption Spectroscopy 156 8.4.1.1 Application of X-Ray Absorption Spectroscopy in Forensics 157 8.4.2 UV/Visible Spectroscopy 159 8.4.2.1 Application of UV/Vis Spectroscopy in Forensics 160 8.4.3 Atomic Absorption Spectroscopy 162 8.4.3.1 Application of Atomic Absorption Spectroscopy in Forensics 163 8.4.4 Infrared Spectroscopy 165 8.4.4.1 Application of Infrared Spectroscopy in Forensics 166 8.4.5 Raman Spectroscopy 167 8.4.5.1 Application of Raman Spectroscopy in Forensics 168 8.4.6 Electron Spin Resonance Spectroscopy 171 8.4.6.1 Application of Electron Spin Resonance Spectroscopy in Forensics 172 8.4.7 Nuclear Magnetic Resonance Spectroscopy 173 8.4.7.1 Application of Nuclear Magnetic Resonance Spectroscopy in Forensics 174 8.4.8 Atomic Emission Spectroscopy 176 8.4.8.1 Application of Atomic Emission Spectroscopy in Forensics 177 8.4.9 X-Ray Fluorescence Spectroscopy 178 8.4.9.1 Application of X-Ray Fluorescence Spectroscopy in Forensics 179 8.4.10 Fluorescence Spectroscopy 181 8.4.10.1 Application of Fluorescence Spectroscopy in Forensics 182 8.4.11 Phosphorescence Spectroscopy 183 8.4.11.1 Application of Phosphorescence Spectroscopy in Forensics 184 8.4.12 Atomic Fluorescence Spectroscopy 186 8.4.12.1 Application of Atomic Fluorescence Spectroscopy in Forensics 187 8.4.13 Chemiluminescence Spectroscopy 188 8.4.13.1 Application of Chemiluminescence Spectroscopy in Forensics 189 8.5 Conclusion 190 References 190 9 Emerging Analytical Techniques in Forensic Samples 199 Disha Bhatnagar and Piyush K. Rao 9.1 Introduction 199 9.2 Separation Techniques 200 9.2.1 Chromatography 200 9.2.1.1 Gas Chromatography 202 9.2.2 Liquid Chromatography 208 9.2.3 Capillary Electrophoresis 211 9.3 Mass Spectrometry 213 9.4 Tandem Mass (MS/MS) 219 9.5 Inductively Coupled Plasma-Mass Spectrometry 220 9.6 Laser Ablation–Inductively Coupled Plasma-Mass Spectrometry 221 9.7 Conclusion 222 References 223 10 DNA Sequencing and Rapid DNA Tests 225 Archana Singh and Deepak Rawtani 10.1 Introduction 226 10.1.1 DNA Sequencing 226 10.1.2 DNA Profiling Analysis Methods 228 10.1.3 The Rapid DNA Test 228 10.2 DNA – The Hereditary Material 230 10.2.1 DNA – Structure and Genetic Information 230 10.3 DNA Sequencing 231 10.3.1 Maxam and Gilbert Method 232 10.3.2 Chain Termination Method or Sanger’s Sequencing 233 10.3.3 Automated Method 235 10.3.4 Semiautomated Method 235 10.3.5 Pyrosequencing Method 236 10.3.6 Clone by Clone Sequencing Method 237 10.3.7 The Whole-Genome Shotgun Sequencing Method 237 10.3.8 Next-Generation DNA Sequencing 238 10.4 Laboratory Processing and DNA Evidence Analysis 238 10.4.1 Restriction Fragment Length Polymorphism 239 10.4.2 Polymerase Chain Reaction (PCR) 239 10.4.3 Short Tandem Repeats (STR) 241 10.4.4 Mitochondrial DNA (mt-DNA) 241 10.4.5 Amplified Fragment Length Polymorphism (aflp) 242 10.4.6 Y-Chromosome 242 10.5 Rapid DNA Test 243 10.5.1 The Evolution of the Rapid DNA Test 244 10.5.2 Rapid DNA Instrument 245 10.5.3 Methodology of Rapid DNA 250 10.6 Conclusion and Future Aspects 250 References 251 11 Sensor-Based Devices for Trace Evidence 265 Aayush Dey, Piyush K. Rao and Deepak Rawtani 11.1 Introduction 266 11.2 Immunosensors in Forensic Science 267 11.2.1 Direct Immunosensing Strategies 268 11.2.1.1 Surface Plasmon Resonance 268 11.2.1.2 Electrochemical Impedance Spectroscopy 274 11.2.1.3 Piezoelectric Immunosensors 275 11.2.2 Indirect Immunosensing Strategies 276 11.2.2.1 Optical Immunosensors 276 11.2.2.2 Electrochemical Immunosensors 280 11.3 Genosensors and Cell-Based Biosensors in Forensic Science 282 11.4 Aptasensors in Forensic Science 283 11.4.1 Forensic Applications of Aptasensors 287 11.5 Enzymatic Biosensors in Forensic Science 288 11.5.1 Applications of Enzymatic Biosensors for Trace Evidence Analysis 289 11.6 Conclusion 289 References 290 12 Biomimetic Devices for Trace Evidence Detection 299 Manika and Astha Pandey 12.1 Introduction 300 12.2 Tools or Machines for Biomimetics 301 12.3 Methods of Biomimetics 302 12.4 Applications 302 12.4.1 Detection of Trace Evidences 302 12.4.1.1 Biomimetic Sniffing 302 12.4.1.2 L-Nicotine Detection 307 12.4.1.3 TNT Detection 307 12.4.2 Hybrid Materials to Medical Devices 309 12.4.2.1 Smart Drug Delivery Micro and Nanodevices 309 12.4.2.2 Nanodevices for Combination of Therapy and Theranostics 310 12.4.2.3 Continuous Biosensors for Glucose 310 12.4.2.4 Electro-Active Lenses 311 12.4.2.5 Smart Tattoos 311 12.5 Challenges for Biomimetics in Practice 311 12.6 Conclusion 312 References 314 13 Forensic Photography 315 Aayush Dey, Piyush K. Rao and Deepak Rawtani 13.1 Introduction 316 13.2 Forensic Photography and Its Purpose 316 13.3 Modern Principles of Forensic Photography 318 13.4 Fundamental Rules of Forensic Photography 319 13.4.1 Rule Number 1. Filling the Frame Space 319 13.4.2 Rule Number 2. Expansion of Depth of Field 320 13.4.3 Rule Number 3. Positioning the Film Plane 321 13.5 Camera Setup and Apparatus for Forensic Photography 321 13.6 The Dynamics of a Digital Camera 322 13.6.1 Types of Digital Cameras 323 13.6.2 Sensor Architecture 324 13.6.2.1 Full Frame 324 13.6.2.2 Frame Transfer 325 13.6.2.3 Interline Architecture 325 13.6.3 Spectral Response 325 13.6.4 Light Sensitivity and Noise Cancellation 326 13.6.5 Dynamic Range 326 13.6.6 Blooming and Anti-Blooming 326 13.6.7 Signal to Noise Ratio 326 13.6.8 Spatial Resolution 327 13.6.9 Frame Rate 327 13.7 Common Crime Scenarios and How They Must be Photographed 327 13.7.1 Photography of Road Traffic Accidents 328 13.7.2 Photography of Homicides 329 13.7.3 Arson Crime Scenes 330 13.7.4 Photography of Print Impressions at a Crime Scene 330 13.7.5 Tire Marks and Their Photography 331 13.7.6 Photography of Skin Wounds 331 13.8 Conclusion 332 References 332 14 Scanners and Microscopes 335 Aayush Dey, Piyush K. Rao and Deepak Rawtani 14.1 Introduction 336 14.2 Scanners in Forensic Science 337 14.2.1 Three-Dimensional Laser Scanners 338 14.2.1.1 Benefits of Three-Dimensional Laser Scanners 338 14.2.1.2 Drawbacks of Three-Dimensional Laser Scanners 338 14.2.1.3 Applications in Forensic Science 339 14.2.2 Structured Light Scanners 341 14.2.2.1 Applications in Forensic Science 341 14.2.3 Intraoral Optical Scanners 342 14.2.3.1 Applications in Forensic Science 342 14.2.4 Computerized Tomography Scanner 343 14.2.4.1 Applications in Forensic Science 343 14.3 Microscopes in Forensic Science 344 14.3.1 Light Microscopes 345 14.3.1.1 Compound Microscope 345 14.3.1.2 Comparison Microscope 347 14.3.1.3 Polarizing Microscope 348 14.3.1.4 Stereoscopic Microscope 348 14.3.2 Electron Microscopes 349 14.3.2.1 Scanning Electron Microscope 349 14.3.2.2 Transmission Electron Microscope 350 14.3.3 Probing Microscopes 350 14.3.3.1 Atomic Force Microscope 350 14.4 Conclusion 355 References 356 15 Recent Advances in Forensic Tools 361 Tatenda Justice Gunda, Charles Muchabaiwa, Piyush K. Rao, Aayush Dey and Deepak Rawtani 15.1 Introduction 362 15.1.1 Recent Forensic Tool: Trends in Crime Investigations 363 15.1.2 Recent Forensic Device 364 15.2 Classification of Forensic Tools and Devices 364 15.2.1 Forensic Chemistry 365 15.2.1.1 Sensors 365 15.2.1.2 Chromatographic Techniques 368 15.2.1.3 Gas Chromatography–Mass Spectrometer (GC-MS) 369 15.2.1.4 High-Performance Liquid Chromatography (HPLC) 370 15.2.1.5 Liquid Chromatography (LC/MS/MS) Rapid Toxicology Screening System 370 15.2.1.6 Fourier Transform Infrared (FTIR) Spectroscopy 372 15.2.1.7 Drug Testing Toxicology of Hair 372 15.2.2 Question Document and Fingerprinting 373 15.2.2.1 Electrostatic Detection Analysis (esda) 374 15.2.2.2 Video Spectral Comparator 375 15.2.2.3 Fingerprinting 376 15.2.3 Forensic Physics 377 15.2.3.1 Facial Recognition 377 15.2.3.2 3D Facial Reconstruction 378 15.2.3.3 Arsenal Automated Ballistic Identification System (ABIS) 378 15.2.3.4 Audio Video Aided Forensic Analysis 379 15.2.3.5 Brain Electrical Oscillations Signature (beos) 379 15.2.3.6 Phenom Desktop Scanning Electron Microscope (SEM) 379 15.2.3.7 X-Ray Spectroscopy EDX 380 15.2.3.8 Drones/UAVs 380 15.2.4 Forensic Biology 382 15.2.4.1 Massive Parallel Sequencing (MPS) 384 15.2.4.2 Virtopsy 384 15.2.4.3 Three-Dimensional Imaging System 385 15.3 Conclusion and Future Perspectives 385 References 386 16 Future Aspects of Modern Forensic Tools and Devices 393 Swathi Satish, Gargi Phadke and Deepak Rawtani 16.1 Introduction 394 16.2 Forensic Tools 395 16.2.1 Emerging Trends in Forensic Tools 396 16.2.2 Future Facets of Forensic Tools 397 16.2.2.1 Analytical Forensic Tools 397 16.2.2.2 Digital Forensic Tools 399 16.3 Forensic Devices 403 16.3.1 Emerging Trends in Forensic Devices 403 16.3.2 Future Aspects of Forensic Devices 404 16.4 Conclusion 409 References 410 Index 415

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Book SynopsisTable of ContentsForeword xxi Preface xxiii Part I: Nano-Flotillas Traversing in the Vein as Carriers to Deliver Theranostics 1 1 Diagnostic and Therapeutic Systems Using Nanomaterials 3 1.1 Introduction 3 1.2 Nanodiagnostic Agents 4 1.2.1 Bio-Barcode Assay (BCA) 5 1.2.2 Cantilever Beam 5 1.2.3 Carbon Dots/Carbon Quantum Dots 8 1.2.3.1 CD as Bioimaging Agent 9 1.2.3.2 CD as Sensor 10 1.2.4 Carbon Nanotubes (CNTs) 11 1.2.4.1 Diagnostic Equipment Using CNT 13 1.2.5 Dendrimers 26 1.2.5.1 Types of Dendrimers 27 1.2.5.2 Applications of Dendrimers 28 1.2.6 DNA 30 1.2.7 Nanocrystals/Quantum Dots (QDs) 33 1.2.7.1 Applications of Nanocrystals/Quantum Dots (QDs) 34 1.2.8 Nanoparticles as Diagnostic Tool 35 1.2.8.1 Inorganic/Metal Nanoparticles 35 1.2.8.2 Polymeric Nanoparticles (PNPs) 43 1.2.9 Nanorobotics 45 1.2.10 Nanoshells 47 1.2.11 Nanowires 48 1.2.12 Optical Tweezers 48 1.2.13 Serum Albumin 50 1.3 Summary 51 References 51 2 Nano Trojan Horses for Delivery of Peptides and Protein Drugs 57 Roopa Dharmatti 2.1 Introduction 57 2.2 Peptides 58 2.2.1 Cell-Penetrating Peptides 61 2.2.1.1 CPP and NP Surface Conjugation Mechanism 62 2.2.1.2 CPP-NP Conjugates in Cancer 64 2.2.1.3 CPP-NP Conjugates in Inflammation 65 2.2.1.4 CPP-NPs Conjugates in Central Nervous System Disorders 66 2.2.2 Antimicrobial Peptides (AMPs) 66 2.2.2.1 Nanomedicines for Antimicrobial Peptides Delivery 68 2.2.3 Peptide Toxins 70 2.2.3.1 Action Mechanism of Peptide Toxins 71 2.2.3.2 Therapeutic Applications of Peptide Toxins from Various Sources 71 2.2.4 Modifications of Natural Peptides for NP and Drug Design 77 2.3 Role of Nanoparticles in Peptide Drug Delivery 77 2.3.1 Vasoactive Intestinal Peptide (VIP) NPs for Diagnostics and for Controlled and Targeted Drug Delivery 79 2.3.1.1 NPs for VIP Drug Delivery 80 2.3.1.2 Structural Basis for Neuropeptide VIP-Targeted Drug Delivery Aided by Nanotechnology 82 2.4 Protein 85 2.4.1 Protein and Peptide Drug Conjugates 86 2.4.1.1 Protein-Drug Conjugates 86 2.4.1.2 Strategies for Chemical Conjugation 90 2.5 Role of Nanoparticles (NPs) in Protein Drug Delivery 96 2.5.1 Liposomes 96 2.5.2 Nanoparticles (NPs) Made from Polymer 97 2.5.3 Carbon Nanotubes (CNTs) 99 2.5.4 Other Metal Nanoparticles (NPs) 100 2.6 Summary 102 References 102 3 Biomimetic Nanomaterials as Smart Scaffolds for Tissue Regeneration 115 3.1 Introduction 115 3.1.1 Concept of Tissue Engineering (TE) 116 3.1.2 A Brief Look at the Type of Tissue-Specific Stem Cells Being Engineered for Tissue Regeneration 117 3.1.3 Growth Factor 119 3.2 Scaffold 119 3.2.1 Basic Requirements for Scaffold 120 3.2.1.1 Biocompatibility of Scaffold Material 120 3.2.1.2 Biodegradability of Scaffold Material 121 3.2.1.3 Mechanical Properties of Scaffold Material 121 3.2.1.4 Porosity in Scaffold Architecture 121 3.2.1.5 Surface Chemistry of Scaffold 121 3.2.2 Biological Scaffold Fabrication Techniques 122 3.2.2.1 Conventional Fabrication Techniques 122 3.2.2.2 Rapid Prototyping (RP) Technique or Solid Free-From Fabrication Technique 125 3.2.2.3 Decellularization 128 3.2.2.4 Tissue Vascularization and Integration 129 3.2.2.5 3D Bioprinting or Cell Printing 129 3.2.2.6 Crosslinking of Hydrogel 132 3.3 Biomaterials for the Fabrication of Scaffold 132 3.3.1 Natural Biomaterials and Extracellular Matrix Material (ECM) Used for Scaffolding 132 3.3.1.1 Collagen 133 3.3.1.2 Fibrin 134 3.3.1.3 Gelatin 136 3.3.1.4 Silk Fiber 137 3.3.1.5 Proteoglycan (PG) 137 3.3.1.6 Hyaluronan or Hyaluronic Acid (HA) 138 3.3.1.7 Chitosan 138 3.3.1.8 Alginate 139 3.3.1.9 Silica 140 3.3.1.10 Poly(Ethylene Glycol) (PEG) 140 3.3.2 Synthetic Biodegradable Polymer Biomaterials Used for Scaffolding 141 3.3.2.1 Poly(L-lactic Acid) (PLA) Scaffold 142 3.3.2.2 Polyglycolide (PGA) Scaffold 142 3.3.2.3 Poly(Lactic-co-Glycolic Acid) (PLGA) Scaffold 142 3.3.2.4 Polycaprolactone (PCL) Scaffold 143 3.3.2.5 Hydrogel 143 3.3.3 Ceramics 143 3.3.4 Functionality of Types of Scaffolds 144 3.3.4.1 Injectable Material for Scaffolds or ‘Injectabone’ 144 3.3.4.2 Scaffold as Delivery System for Growth Factor and Drugs 144 3.3.4.3 Supercritical Carbon Dioxide Processing of Polymers 145 3.3.4.4 Customized Scaffold via 3D Printing 145 3.3.4.5 Plasma Modification of Scaffold Surfaces 146 3.4 Nanomaterials for Versatile Scaffolds 146 3.4.1 Carbon-Based Nanoparticle Carbon Nanotubes as Versatile Scaffolds 148 3.4.2 Metal Nanoparticles 152 3.4.2.1 Tantalum (Ta) 153 3.4.2.2 Magnesium and Its Alloys 153 3.4.2.3 Titanium and Its Alloys 154 3.4.2.4 Silver Nanoparticles (AgNPs) 154 3.4.2.5 Aluminum Nanoparticles (AlNPs) 155 3.4.2.6 Gold Nanoparticles (AuNPs) 156 3.4.2.7 Copper Nanoparticles (CuNPs) 157 3.4.2.8 Iron (Fe), Iron Oxide and Its Conjugate Nanoparticles 158 3.4.2.9 Nickel Nanoparticles (NiNPs) 159 3.4.2.10 Zirconium Nanoparticles (ZrNPs) 160 3.4.3 Polymeric Nanoparticles and Nanofibers 160 3.4.4 Lipid-Based Nanoparticles 161 3.4.4.1 Liposomes 162 3.4.5 Ceramic Nanoparticles (CNPs) 163 3.4.5.1 Bioactive Ceramic Nanoparticles 164 3.4.5.2 Bioinert Ceramic Nanoparticles 164 3.4.5.3 Bioresorbable Ceramic Nanoparticles 164 3.4.6 Natural Extracellular Matrix (ECM) 165 3.5 Application of Scaffold for Various Tissue Regeneration and Incorporation of Nanomaterials 165 3.5.1 Scaffold for Bone Tissue Regeneration 166 3.5.2 Scaffold for Cartilage Tissue Regeneration 170 3.5.3 Scaffold for Cardiovascular Tissue Regeneration 172 3.5.4 Scaffold for Liver Tissue Regeneration 173 3.5.5 Scaffold for Muscle Tissues Regeneration 175 3.5.6 Scaffold for Nerve Tissue Regeneration 176 3.5.7 Scaffold for Skin Tissue Regeneration 180 3.5.8 Scaffold for Tendon and Ligament Tissue Regeneration 183 3.6 Considerations for Manufacturing a Scaffold at Commercial Level 186 3.7 Conclusion 187 References 187 Part II: The Cardinal Role of Biomedical Nanotechnology 209 4 Nanodiagnostics and Nanotherapeutics: A Powerful Tool for Ablation of Cancer 211 4.1 Introduction 211 4.2 Molecular Diagnostics 212 4.2.1 Radioimmunoassay (RIA) 215 4.2.2 Enzyme-Linked Immunosorbent Assay (ELISA) 215 4.2.3 SDS-Page and Western Blot 216 4.2.4 Immunoprecipitation (IP) 217 4.2.5 Immunofluorescence 218 4.2.6 Immunoelectron Microscopy 218 4.2.7 Polymerase Chain Reaction (PCR) 218 4.3 Radiological Diagnostics for Cancer 219 4.3.1 Computerized Tomography (CT) Scan 219 4.3.2 Magnetic Resonance Imaging (MRI) 219 4.3.3 Positron Emission Tomography (PET) 220 4.4 Biopsy 222 4.5 Nanodiagnostics for Cancer 223 4.5.1 Brain Cancer 224 4.5.1.1 Brain Cancer and Nanotechnology 226 4.5.2 Breast Cancer 228 4.5.2.1 Breast Cancer and Nanodiagnostic 230 4.5.3 Colon/Colorectal Cancer 230 4.5.3.1 Colon/Colorectal Cancer and Nanodiagnostic 231 4.5.4 Liver Cancer or Hepatocellular Carcinoma (HCC) 233 4.5.4.1 Liver Cancer and Nanotechnology 234 4.5.5 Lung Cancer 239 4.5.5.1 Lung Cancer and Nanotechnology 240 4.5.6 Melanoma and Skin Cancer 242 4.5.6.1 Melanoma and Nanotechnology 244 4.5.7 Oral Cancer 246 4.5.7.1 Oral Cancer and Nanotechnology 247 4.5.8 Ovarian Cancer 248 4.5.8.1 Ovarian Cancer and Nanotechnology 249 4.5.9 Pancreatic Cancer 251 4.5.9.1 Pancreatic Cancer and Nanotechnology 252 4.5.10 Prostate Cancer 255 4.5.10.1 Prostate Cancer and Nanotechnology 257 4.5.11 Renal Cancer/Kidney Cancer 259 4.5.11.1 Renal Cancer and Nanotechnology 261 4.5.12 Urinary Bladder Cancer 261 4.5.12.1 Urinary Bladder Cancer and Nanotechnology 262 4.6 Summary 264 References 265 5 Genetic Diseases and Nanotechnology-Based Theranostics 277 5.1 Introduction 277 5.2 Nanotechnologies and Microchips in Genetic Diseases 279 5.3 Nanotechnology and Gene Therapy for Genetic Disease 279 5.3.1 Diabetic Retinopathy (DR) 281 5.3.2 Some Diseases Successfully Treated with Nanotechnology + Gene Therapy 282 5.4 Gene Silencing Therapy 284 5.5 Ribonucleic Acid (RNA) Therapy and Nanotechnology 286 5.6 Nanoparticles-Based Therapies for Various Chromosomal Disorders 287 5.6.1 Down Syndrome 287 5.6.1.1 Mosaic Down Syndrome 287 5.6.1.2 Translocation Down Syndrome 288 5.6.1.3 Klinefelter Syndrome (47,XXY) 288 5.6.1.4 Turner Syndrome 288 5.6.1.5 Williams Syndrome 288 5.6.1.6 Cri du Chat Syndrome 289 5.6.2 Single-Gene Disorder 289 5.6.2.1 Niemann-Pick Type C1 Disease (NPC1) 289 5.6.2.2 Cystic Fibrosis 290 5.6.2.3 Galactosemia 291 5.6.2.4 Severe Combined Immunodeficiency (SCID) 292 5.6.2.5 Sickle Cell Disease (SCD) 292 5.6.2.6 Huntington’s Disease (HD) 293 5.6.2.7 Tay-Sachs Disease 294 5.6.3 Multifactorial Disorders 295 5.6.3.1 Thalassemia 295 5.6.3.2 Mitochondrial Disease 296 5.7 Summary 299 References 299 6 The Role of Biomedical Nanotechnology in CNS and Neurological Disorders 303 6.1 Introduction 303 6.2 Parkinson’s Disease 304 6.2.1 Nanotheranostic for Parkinson’s Disease (PD) 306 6.3 Alzheimer’s Disease 309 6.3.1 Nanotheranostic for Alzheimer’s Disease 312 6.4 Epilepsy/Seizure Disorder 316 6.4.1 Nanotheranostic for Epilepsy 318 6.5 Schizophrenia 319 6.5.1 Nanotheranostic for Schizophrenia 320 6.6 Summary 323 References 324 7 Nanotechnology-Based Theranostics for Fighting Infectious Diseases 329 7.1 Introduction 329 7.2 Diseases Caused by Prions 333 7.2.1 Nanotheranostic for Diseases Caused by Prions 334 7.3 Diseases Caused by Virus 336 7.3.1 HIV/AIDS (Human Immunodeficiency Virus/Acquired Immunodeficiency Syndrome) and Nanotheranostic 339 7.3.2 Hepatitis C Virus and Nanotheranostic 341 7.3.3 Dengue Virus and Nanotheranostic 344 7.3.4 Polio Virus and Nanotheranostic 347 7.3.5 Meningitis-Causing Virus and Nanotheranostic 349 7.3.6 Herpes-Causing Virus and Nanotheranostic 351 7.3.7 Influenza (Flu)-Causing Virus and Nanotheranostic 354 7.3.8 COVID-19 (Coronavirus) Nanotheranostic 357 7.4 Diseases Caused by Bacteria 362 7.4.1 Nanotheranostics for Diseases Caused by Bacteria 376 7.4.1.1 Antibacterial Nanoparticles, Nanoantibiotics and Nanotechnology 376 7.4.1.2 Nano-Strategies to Fight Multidrug-Resistant (MDR) Bacteria 376 7.4.1.3 Theranostics to Combat Biofilms of Bacteria 379 7.4.1.4 Theranostics for Bloodstream Infection 381 7.4.1.5 Nanoparticles for Drug Delivery 381 7.4.1.6 Modulation of Immune Response by Nanoparticles for Efficient Vaccination 382 7.5 Diseases Caused by Fungi 382 7.5.1 Nanotheranostic for Diseases Caused by Fungi 385 7.5.1.1 Nanotechnology for Cutaneous Fungal Infection Therapy 385 7.5.1.2 Nanotechnology for Invasive Mycoses Therapy 386 7.5.1.3 Nanotechnology for Ocular Mycoses Therapy 388 7.6 Diseases Caused by Parasitic Protozoa 389 7.6.1 Nanotheranostics for Diseases Caused by Parasitic Protozoa 393 7.6.1.1 Leishmaniasis, Chagas Disease and African Trypanosomiasis 394 7.6.1.2 Malaria 395 7.6.1.3 Amebiasis 396 7.6.1.4 Giardiasis 396 7.7 Diseases Caused by Helminths 397 7.7.1 Nanotheranostic for Diseases Caused by Parasitic Helminths 399 7.7.1.1 Nanotherapeutics and Nematodes (Roundworms) 399 7.7.1.2 Nanotherapeutics and Trematodes (Flatworms) 401 7.7.1.3 Nanotherapeutics and Cestodes (Tapeworms) 402 7.8 Summary 403 References 403 8 Nanotheranostics for Cardiovascular Diseases 419 8.1 Introduction 419 8.1.1 The Human Heart 419 8.1.2 Blood Vessels 419 8.1.3 Heart or Cardiovascular Diseases 421 8.1.4 Diseases of the Blood Vessels 423 8.1.5 Diagnostics and Therapeutics of Cardiovascular Disease 425 8.2 Nanotheranostics for Cardiovascular Diseases 426 8.2.1 Nanodiagnostics for Cardiovascular Disease 427 8.2.2 Nanotherapeutics for Cardiovascular Disease 429 8.2.2.1 Liposome NP for Cardiovascular Therapy 430 8.2.2.2 Polymeric Nanoparticles for Cardiovascular Therapy 431 8.2.2.3 Micelle NP for Cardiovascular Therapy 432 8.2.2.4 Dendrimers for Cardiovascular Therapy 434 8.2.2.5 Gel Nanoparticles for Cardiovascular Therapy 435 8.2.2.6 Metal Nanoparticles for Cardiovascular Therapy 435 8.2.2.7 Nanocoated Stents for Coronary Artery Bypass Graft (CABG), Percutaneous Transluminal Coronary Angioplasty (PTCA) and Percutaneous Coronary Intervention (PCI) 436 8.2.2.8 Nano Patch and Scaffold for Cardiovascular Disease 436 8.2.2.9 Suitability of Carbon Nanotubes for Cardiovascular Therapy 438 8.3 Summary 439 References 440 9 Role of Nanotechnology in Combatting Disease and Disorders of Ophthalmology 445 9.1 Introduction 445 9.2 Structure and Anatomy of the Human Eye 445 9.3 Eye Diseases and Disorders 449 9.3.1 Diseases and Disorders of Accessory Structures 449 9.3.1.1 Dry Eye 449 9.3.1.2 Conjunctivitis 450 9.3.1.3 Blepharitis/Blepharoptosis (Ptosis) 450 9.3.1.4 Hordeolum (Stye) 450 9.3.1.5 Chalazion (Meibomian Cyst) 451 9.3.1.6 Entropion 451 9.3.1.7 Ectropion 451 9.3.2 Diseases and Disorders of Fibrous Tunic 451 9.3.2.1 Keratoconus 451 9.3.2.2 Refractive Errors 452 9.3.3 Diseases and Disorders of Vascular Tunic 453 9.3.3.1 Uveitis 453 9.3.4 Diseases and Disorders of Nervous Tunic 454 9.3.4.1 Color Blindness 454 9.3.4.2 Retinal Detachment 454 9.3.4.3 Diabetic Retinopathy (DR) 456 9.3.4.4 Age-Related Macular Degeneration (AMD) 457 9.3.5 Diseases and Disorders of Interior Eyeball 457 9.3.5.1 Glaucoma 457 9.3.5.2 Cataract 459 9.3.5.3 Floater 461 9.3.6 Diseases and Disorders of Cornea and Uveal Tract 461 9.3.6.1 Pterygium 461 9.3.6.2 Keratitis 462 9.3.6.3 Scleritis 462 9.3.6.4 Iritis 463 9.3.7 Muscular Disorders 463 9.3.7.1 Nystagmus 463 9.3.7.2 Strabismus (Crossed Eyes) 463 9.4 Blindness 463 9.4.1 Trachoma 464 9.5 Nanotherapy for Ocular Diseases and Disorders 464 9.5.1 Nanotechnology for Regenerative Ophthalmology 465 9.5.1.1 Nanoscaffolds for Retinal Tissue Regeneration 466 9.5.1.2 Nanoscaffolds for Corneal Tissue Regeneration 468 9.5.2 Nanomaterials as Gene Delivery Devices to Reprogram Cells for Ocular Regeneration 470 9.5.2.1 Lipoplexes: Liposome-Protamine-DNA (LPD) Nanocomplexes 471 9.5.2.2 Polyplexes 471 9.5.2.3 Mesoporous Nanoparticles 472 9.5.2.4 Organic-Inorganic Hybrid Nanocrystals 472 9.5.2.5 NanoScript Nanoparticle 472 9.5.2.6 Self-Assembling DNA and Magnetic Nanoparticles 473 9.5.3 Nanomaterials as Immunomodulator in Ocular Regeneration 473 9.6 Glaucoma: Potential Implications of Nanotechnology and Nanomedicine 475 9.6.1 Drug Delivery System for Arresting Glaucoma 475 9.7 Cataract: Potential Implications of Nanotechnology and Nanomedicine 480 9.7.1 Nanoscaffolds for Lens Regeneration (Cataract) 480 9.7.2 Nanofiber-Based Hydrogel 481 9.8 Uveitis (Eye Inflammation) Therapy by Nanozyme (Superoxide Dismutase 1) 482 9.9 Contact Lenses for Ocular Theranostic 482 9.10 Nanodiagnostic for Ocular Diseases and Disorders 483 9.11 Summary and Future Perspective 484 References 485 10 Use of Nanotechnology in Dentistry 493 10.1 Introduction 493 10.1.1 Structure of Human Teeth 493 10.1.2 Types of Human Teeth 494 10.2 Diseases and Disorders of Teeth 495 10.2.1 Plaque Formation 495 10.2.2 Caries (Cavities) 496 10.2.3 Periodontal Disease 496 10.2.3.1 Periodontitis 497 10.2.3.2 Gingivitis 497 10.2.4 Trench Mouth 497 10.2.5 Thrush 497 10.2.6 Periapical Abscess (Dentoalveolar Abscess) 498 10.2.7 Malocclusion 498 10.2.8 Dry Mouth 498 10.2.9 Herpetic Gingivostomatitis 498 10.2.10 Mumps 499 10.2.11 Mouth Ulcer 499 10.2.12 Stained Teeth 500 10.2.13 Hyperdontia (Extra Teeth) 500 10.3 Nanotheranostics Used in Dentistry 500 10.3.1 Nanotechnology for Diagnosis 501 10.3.1.1 Nanocantilevers for Diagnostics 503 10.3.1.2 Nanopores/Porous Nanoparticles for Diagnostics 503 10.3.1.3 Nanotubes for Diagnostics 503 10.3.1.4 Quantum Dots (QD) for Diagnostics 503 10.3.1.5 Nanoelectromechanical Systems (NEMS) for Diagnostics 504 10.3.1.6 Lab-on-a-Chip or Biochips and Salivary Biomarkers for Diagnostics 504 10.3.1.7 Oral Fluid Nanosensor Test (OFNASET) for Diagnostics 505 10.3.1.8 Nanorobots or Dentifrobots for Diagnostics 506 10.3.1.9 Digital Dental Imaging for Diagnostics 507 10.3.2 Nanomaterials Used in Dental Therapeutics 507 10.3.2.1 Organic Nanomaterials for Therapeutics 507 10.3.2.2 Inorganic Nanomaterials for Therapeutics 508 10.3.2.3 Nanocomposites for Therapeutics 509 10.3.2.4 Carbon-Based Nanomaterials for Therapeutics 511 10.3.2.5 Nonsolution (Nano Adhesive) for Therapeutics 511 10.3.2.6 Nano Light-Curing Glass Ionomer Restorative 511 10.3.2.7 Nanoneedles 512 10.3.3 Role of Nanotechnology in Dental Tissue Engineering 512 10.3.3.1 Nanotechnology in Bone Grafting/Regeneration and Oral Maxillofacial Surgery 514 10.3.3.2 Nanotechnology for Dental Pulp Regeneration 514 10.3.3.3 Nanostructures and Enamel Tissues Engineering/Restoration 515 10.3.3.4 Nanotechnology and Nerve Regeneration 515 10.3.4 Bio-Nanofunctionalized Surface of Dental Implants 517 10.3.4.1 Prosthodontics and Nanotechnology 518 10.3.5 Nanomaterials for Periodontal Drug Delivery 520 10.3.6 Endodontics 522 10.3.7 Nanoanesthesia 524 10.3.8 Nanotechnology and Dental Disease Prevention 524 10.3.8.1 Nano Toothbrush 525 10.3.8.2 Nano-Modified Toothpaste and Mouthwash 525 10.3.8.3 Nanomaterials for Prevention of Caries 526 10.3.8.4 Nanomaterials for Prevention of Periodontal Disease 530 10.3.9 Antimicrobial Photodynamic Therapy (APDT) 531 10.4 Conclusion 534 References 535 Index 545

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Book SynopsisBIOCHAR APPLICATIONS FOR WASTEWATER TREATMENT Comprehensive guide to biochar technology as a novel, cost-effective, and environmentally friendly solution for the treatment of wastewater Biochar Applications for Wastewater Treatment summarizes recent research development on biochar production and emerging applications with a focus on the value-added utilization of biochar technology in wastewater treatment, succinctly summarizing different technologies for biochar production and characterization with an emphasis on feedstock selection and pre-/post- treatment. The text discusses the mechanisms of biochar's various roles in different functions of wastewater treatment and includes the latest research advances in manufacturing optimization and improvements to update the carbonaceous materials with desirable environmental functionalities. Discussion and case studies are incorporated in treating municipal wastewater, industrial wastewater, agricultural wastewater, and stormwater to illustratTable of ContentsEditors Biography xi List of Contributors xiii Preface xv 1 Engineered Biochar 1 Yuqing Sun and Daniel C.W. Tsang 1.1 Overview of Biochar Production 2 1.2 Biochar Properties and Characterization 4 1.3 Pre- and Post-Modification of Biochar 9 1.3.1 Physical Modification 10 1.3.2 Chemical Modification 14 1.3.3 Biochar Composites 16 1.4 Sustainability Considerations 24 2 Adsorption of Nutrients 29 Yuqing Sun and Daniel C.W. Tsang 2.1 Nutrients in Wastewater 29 2.2 Biochar Performance in Nutrients Removal from Wastewater 31 2.2.1 Removal of Ammonium Using Modified and Pristine Biochars 31 2.2.2 Removal of Nitrate Using Pristine and Modified Biochars 32 2.2.3 Removal of Phosphate Using Pristine and Modified Biochars 33 2.3 Biochar Mechanisms of Nutrients Removal from Wastewater 34 2.3.1 Specific Surface Area 34 2.3.2 Ion Exchange 34 2.3.3 Surface Functional Groups 34 2.3.4 Precipitation 35 2.4 Factors Influencing Biochar Performance in Nutrients Removal 35 2.4.1 Pyrolysis Temperature 35 2.4.2 Metallic Oxides on Biochar 36 2.4.3 Solution pH 36 2.4.4 Contact Time 36 2.4.5 Ambient Temperature 37 2.4.6 Coexisting Ions 37 2.5 Nutrients Desorption from Biochar 38 2.5.1 Ammonium Desorption 38 2.5.2 Nitrate Desorption 38 2.5.3 Phosphorous Desorption 39 2.6 Nutrient-loaded Biochar as Potential Nutrient Suppliers 39 3 Adsorption of Metals/Metalloids 41 Yuqing Sun and Daniel C.W. Tsang 3.1 Metals/Metalloids in Wastewater 42 3.2 Mechanisms of Biochar for Adsorption of Metals/Metalloids 43 3.2.1 Physical Adsorption 43 3.2.2 Electrostatic Interaction 44 3.2.3 Ion Exchange 45 3.2.4 Surface Complexation 45 3.2.5 Precipitation 45 3.2.6 Reduction 46 3.3 Modified Biochar for Adsorption of Metals/Metalloids 46 3.3.1 Biochar/Layered Double Hydroxide Composites 46 3.3.2 Magnetic Biochar Composites 47 3.3.3 Biochar-Supported nZVI Composites 48 3.3.4 Comparison of Different Modification Methods for Metals/Metalloids 49 3.4 Biochar Recycling after Adsorption of Metals/Metalloids 51 4 Adsorption of PPCPs 53 Yuqing Sun and Daniel C.W. Tsang 4.1 PPCPs in Wastewater 54 4.2 Biochar Mechanisms for PPCPs Adsorption 55 4.2.1 π-π Interaction 55 4.2.2 Hydrogen Bonding 56 4.2.3 Electrostatic Interaction 56 4.2.4 Other Mechanisms 56 4.3 Factors Affecting PPCPs Adsorption by Biochar 57 4.3.1 Pyrolysis Temperature 57 4.3.2 Biochar Surface Modification 57 4.3.3 Properties of PPCPs 58 4.3.4 Environmental pH 59 4.3.5 Wastewater Composition 59 5 Stormwater Biofiltration Media 61 Jingyi Gao, Yuqing Sun, and Daniel C.W. Tsang 5.1 Introduction 62 5.2 Common Pollutants in Stormwater 64 5.3 Biochar for Biofiltration Media 66 5.3.1 Production of Biochar 66 5.3.2 Physicochemical Properties of Biochar 67 5.4 Removal of Pollutants in Biochar-Based Biofiltration Systems 67 5.4.1 Metals/Metalloids 67 5.4.2 Nutrient 70 5.4.3 Organic Chemicals 72 5.5 Microplastic in Urban Runoff 75 5.6 Challenge and Perspective 76 5.7 Conclusion 78 6 Biochar Solution for Anaerobic Digestion 89 Yanfei Tang, Wenjing Tian, and Daniel C.W. Tsang 6.1 Introduction 89 6.2 Application of BC as an Additive in Anaerobic Digestion 90 6.2.1 pH Buffering 90 6.2.2 Adsorption of Inhibitors 91 6.2.3 Effects on Microbial Growth and Activities 92 6.3 Effects of BC on Digestate Quality 99 6.4 Conclusions and Perspectives 100 7 Biochar-Assisted Anaerobic Ammonium Oxidation 105 Wenjing Tian, Yanfei Tang, Dongdong Ge, and Daniel C.W. Tsang 7.1 Overview of Anaerobic Ammonium Oxidation 105 7.1.1 Introduction 105 7.1.2 Constraints 107 7.2 Roles of Biochar in Promoting Anammox 108 7.2.1 pH and Inhibitor Buffer 111 7.2.2 Electron Transfer Promotion 112 7.2.3 Microbial Immobilization 113 7.3 Future Perspectives 114 8 Application of Biochar for Sludge Dewatering 121 Dongdong Ge, Nanwen Zhu, Mingjing He, and Daniel C.W. Tsang 8.1 Introduction 121 8.2 Preparation of Biochar-Based Sludge Conditioner 123 8.3 Efficacy of Biochar Conditioning on Enhanced Sludge Dewaterability 126 8.4 Variations of Sludge Physicochemical Characteristics via Biochar Conditioning 127 8.5 Technical Mechanism and Implementation Prospects 128 9 Effects of Biochar on Sludge Composting 137 Dong Li, Dongdong Ge, Yuqing Sun, and Daniel C.W. Tsang 9.1 Introduction 138 9.2 Effects of Biochar Addition on Sludge Composting 141 9.2.1 Effects on Compost Parameters Effect on C/N 141 9.2.2 Effects on Heavy Metals 142 9.2.3 Effects on Organic Matters 142 9.2.4 Effects on Gaseous Emissions 143 9.2.5 Effects on Microbial Community and Activities 145 9.2.6 Effects on Quality of Sludge Compost 145 9.3 Future Perspectives 146 9.4 Summary 147 10 Sludge Utilization as Biochar for Nutrient Recovery 155 Deng Pan, Dongdong Ge, and Daniel C.W. Tsang 10.1 Sewage Sludge (SS) Management 155 10.2 Importance of Sludge as a Feedstock for Biochar 156 10.3 Factors Affecting the Properties of SDBC 156 10.3.1 Raw Material 159 10.3.2 Temperature 159 10.3.3 Heating Rates 159 10.3.4 Retention Time 160 10.4 Nutrients in SDBC 160 10.4.1 Nitrogen (N) 160 10.4.2 Phosphorus (P) 161 10.4.3 Potassium (K) 161 10.5 SDBC for Soil Amendment and Nutrient Utilization 161 10.6 Current Challenges for SDBC 163 10.7 Conclusions 164 11 Biochar for Electrochemical Treatment of Wastewater 171 Dong Li, Yang Zheng, Yuqing Sun, and Daniel C.W. Tsang 11.1 Introduction 172 11.2 Different Electrochemical Behavior of Biochar 173 11.2.1 Electron Exchange 173 11.2.2 Electron Donor or Acceptor 174 11.2.3 Electrosorption Capacity 174 11.3 Preparation of Biochar Electrode Materials 177 11.3.1 Carbonization 177 11.3.2 Activation 178 11.3.3 Template 179 11.3.4 Composite Materials 180 11.4 Application in Electrochemical Wastewater Treatment 181 11.4.1 Electrochemical Oxidation 181 11.4.2 Electrochemical Deposition 182 11.4.3 Electro-adsorption 182 11.4.4 Electrochemical Disinfection 183 11.5 Future Perspectives 183 11.6 Summary 184 12 Peroxide-Based Biochar-Assisted Advanced Oxidation 193 Yang Cao, Qiaozhi Zhang, Yuqing Sun, and Daniel C.W. Tsang 12.1 Introduction 193 12.2 Biochar-Based Catalysts 195 12.2.1 Pristine Biochar 196 12.2.2 Redox Metal-Loaded Biochar 197 12.2.3 Heteroatom-Doped Biochar 198 12.3 Peroxide-Based Advanced Oxidation 199 12.3.1 Fenton-Like System 199 12.3.2 Persulfate Activation System 201 12.3.3 Photocatalytic System 203 12.4 Conclusion and Future Perspectives 204 13 Persulfate-Based Biochar-Assisted Advanced Oxidation 213 Mengdi Zhao, Zibo Xu, and Daniel C.W. Tsang 13.1 Introduction 213 13.2 Activation Pathway and Reaction Mechanism of Persulfate by Biochar 214 13.2.1 Distinction between Different Pathways 214 13.2.2 Properties Necessitating the Generation of Radicals with PS 215 13.2.3 Nonradical Degradation with Biochar 215 13.2.4 Modifying Biochar for Enhanced Properties Related to the Degradation Process 216 13.3 Metal-Biochar Composites in Persulfate Activation System 217 13.3.1 Iron-Biochar 218 13.3.2 Copper-biochar 219 13.3.3 Cobalt Biochar 219 13.3.4 Biochar of Other Metal and Mixed Metal 220 13.4 Heteroatom-Doped Biochar for PS Activation 220 13.4.1 Nitrogen-doped Biochar 221 13.4.2 Sulfur-Doped Biochar 222 13.5 Conclusion and Perspectives 222 14 Biochar-Enhanced Ozonation for Sewage Treatment 229 Dongdong Ge, Nanwen Zhu, Mingjing He, and Daniel C.W. Tsang 14.1 Introduction 229 14.2 Preparation of Biochar-Based Catalyst for Ozonation 230 14.3 Efficacy of Biochar-Catalytic Ozonation on Sewage Treatment 232 14.4 Effects of Process Conditions on Biochar-Enhanced Ozonation Sewage Treatment 233 14.5 Technical Mechanism and Implementation Prospects 235 15 Biochar-Supported Odor Control 243 Jingyi Gao, Zibo Xu, and Daniel C.W. Tsang 15.1 Causes and Treatment of Odor 244 15.2 Odor Pollutants 245 15.3 Properties of Biochar for the Removal of Odor Pollutants 247 15.3.1 Surface Area and Total Pore Volume 249 15.3.2 Pore Size Distribution 250 15.3.3 Chemical Functional Group 252 15.3.4 Noncarbonized Organic Matter 253 15.3.5 Mineral constituents 253 15.4 Application of Biochar in Odor Control 254 15.4.1 Biochar as Adsorbent 254 15.4.2 Biochar as Additives 256 15.5 Conclusion and Perspective 260 16 Fate, Transport, and Impact of Biochar in the Environment 273 Deng Pan, Yuqing Sun, and Daniel C.W. Tsang 16.1 Transport Mechanism of Biochar in the Environment 274 16.2 Stability of Biochar 275 16.2.1 Physical Degradation of Biochar 275 16.2.2 Chemical Decomposition of Biochar 275 16.2.3 Microbial Decomposition of Biochar 276 16.3 Contaminants in Biochar and the Environmental Impact 277 16.3.1 Polycyclic Aromatic Hydrocarbons (PAHs) 278 16.3.2 Heavy Metals (HMs) 279 16.3.3 Persistent Free Radicals (PFRs) 280 16.3.4 Dioxins 281 16.3.5 Metal Cyanide (MCN) 281 16.3.6 Volatile Organic Compounds (VOCs) 282 17 Environmental and Economic Evaluation of Biochar Application in Wastewater and Sludge Treatment 289 Claudia Labianca, Sabino De Gisi, Michele Notarnicola, Xiaohong Zhu, and Daniel C.W. Tsang 17.1 Introduction 289 17.2 Environmental Evaluation 291 17.2.1 LCA Insights into Biochar Production and Applications 291 17.2.2 Main LCA Literature Studies of Biochar Applications in Wastewater and Sludge Treatments 295 17.3 Technical, Economic, and Sustainability Considerations 299 17.4 Future Trends 301 17.5 Conclusions 302 Index 309

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Book SynopsisA guide to thescientificinterpretation of blood traces Blood Tracesprovides anauthoritative resource that reviews many of the aspects of the interpretation of blood traces that have not been treated with the thoroughness they deserve. With strict adherence to the scientific method, the authorsnoted experts on the topicaddressthe complexitiesencountered wheninterpretingblood trace configurations. The bookprovides an understanding of the scientific basis for the use of blood trace deposits,i.e.bloodstain patterns,at crime scenes to betterreconstructa criminal event. The authors define eightoverarchingprinciples for the comprehensive analysis and interpretation of blood trace configurations.Three of theseprinciplesare:blood tracesmayreveal a great deal of useful information;extensive blood traces, although present,may notalwaysyieldinformation relevant toquestions that may arise in a given case;and acollection of a few seemingly related dried blood dropletdeTable of ContentsDEDICATION v EPIGRAPH vii TABLE OF CONTENTS ix FOREWORD xvii ACKNOWLEDGEMENTS xix PREFACE TO BLOOD TRACES: INTERPRETATION OF DEPOSITION AND DISTRIBUTION xxi 1 Physical Evidence Record 1 1.1 Generation of Physical Evidence Record 1 1.1.1 Scene as a Recording Medium 1 1.1.2 Creation of Blood Traces 5 1.2 Capturing the Physical Evidence Record: Crime Scene Analysis 5 1.2.1 The Stages of Crime Scene Investigation 6 1.2.1.1 Scene Protection and Security 6 1.2.1.2 Evidence Recognition 8 1.2.1.3 Evidence Documentation 10 1.2.1.4 Evidence Recovery, Packaging, and Transportation 14 1.3 Reconstruction of Past Incidents from the Physical Evidence Record 17 1.3.1 Definition 17 1.3.2 Art or Science, or Both? 17 1.3.3 Importance of the Scientific Method 18 1.3.4 Reconstruction vs. Reenactment 18 1.3.5 Holistic Philosophy: Blood Trace Configuration Interpretation Is Only One Aspect of Reconstruction 19 References 20 2 Historical Perspective 21 2.1 Edgar Allen Poe and Sir Arthur Conan Doyle: History in Fiction 21 2.2 Hans Gross 22 2.3 History of Research in Blood Traces 22 2.4 Detective Charlie Chan: History in Film 23 2.5 Paul Kirk 23 2.6 Herbert MacDonell 25 2.7 Bloodstain Pattern Analysis Committees and Organizations 26 References 26 3 Characteristics of Liquids Including Blood 29 3.1 Physical Properties and Fluid Mechanics of Liquids 29 3.1.1 Surface Tension and Weber Number 29 3.1.2 Density 31 3.1.3 Newtonian and Non-Newtonian Fluids 31 3.1.4 Viscosity and Poiseuille’s Equation 32 3.1.5 Flow Stability, Reynolds Number, and Rayleigh Number 33 3.1.6 Viscoelasticity 34 3.1.7 Caveats 34 3.2 Physical Characteristics of Blood 35 3.2.1 Definition and Description of Blood 35 3.2.2 Factors that Influence Droplet Deposit Periphery 37 3.2.3 Factors that Influence Droplet and Deposit Size 38 3.2.4 Sedimentation and Hematocrit 40 3.3 Optical Properties of Blood Deposits 40 3.4 Physiological Characteristics of Blood 41 3.4.1 Hemostasis and Clotting 41 3.4.1.1 Postmortem Clotting 42 3.4.1.2 Lack of Clotting 42 3.5 Use of Blood Substitutes in Training and Simulations 43 References 44 4 Detection, Visual Enhancement, Identification, and Source Attribution of Blood Deposits and Configurations 47 4.1 Optical Visualization of Blood Trace Deposits 48 4.2 Catalytic Tests 52 4.3 Protein Stains 53 4.4 Blood Typing and DNA Technology 53 4.5 A Limitation of Laboratory SOPs 54 4.6 Ongoing and Future Research 55 4.7 Conclusion 58 References 58 5 Terminology, Typology, and Taxonomy 61 5.1 History of Terminologies Applied to Blood Trace Configurations 61 5.2 A Typology for Blood Trace Deposits 63 5.2.1 Contact Transfers 64 5.2.1.1 Figure(s): Static Contact Transfers 66 5.2.2 Noncontact Deposit Configurations 69 5.2.3 Arc (“Cast-off”) Deposit Configurations 69 5.2.4 Arterial Deposit Configurations 70 5.2.5 Droplet Trail Deposit Configurations 71 5.2.6 Airborne Droplets in Respiratory Airstreams 72 5.2.7 Radial (“Impact”) Spatter (Include Close-Up) 73 5.2.8 Secondary Spatter 74 5.2.8.1 Dropping Height Experiments 75 5.2.8.2 Dropping Volume Experiments 76 5.2.8.3 Various Substrates 77 5.2.8.4 Secondary Spatter Discussion 77 5.2.9 Spatter Associated with Gunshot Wounds 78 5.2.9.1 Patterns from Perforating (Through-and-through) Wounds 78 5.2.9.2 Backspatter from Entrance Wounds with No Exit (Penetrating Wounds) 80 5.2.9.3 Blood Traces from Blowback 80 5.2.10 Other Configurations 82 5.2.10.1 Flow Configurations 82 5.2.10.2 Pooling Configurations 82 5.2.10.2.1 Clotting, Serum Separation and its Significance 82 5.2.10.3 Diluted Blood Deposits 83 5.2.10.4 Significance of Voids 86 5.2.11 Post-Incident Events (“Artifacts”) 87 5.2.11.1 Human Attempts at Clean-Up 87 5.2.11.1.1 Inhibiting and Obscuring Cleaning Agents 87 5.2.11.1.2 Luminol and Investigative Leads 88 5.2.11.2 Animals and Insects 88 5.2.11.3 Unavoidable Environmental Events (i.e., Rain, Wind…) 90 References 92 6 Blood Droplet Dynamics and Deposit Formation 95 6.1 Blood Droplet Motion and Velocity Vectors 95 6.2 Angle of Impact 96 6.3 Blood Droplet Trajectory and Resulting Impact Geometry 98 6.4 Region of Convergence and Region of Origin 101 6.5 Equivalence of Relativistic Motion 104 6.6 Impact Mechanism and Blood Trace Deposit Formation 110 6.6.1 Impacts of Falling Droplets with Sessile Blood 114 6.7 Conclusion 116 References 116 7 Blood Trace Interpretation and Crime Scene/Incident Reconstruction 119 7.1 Principles of Blood Trace Reconstruction 119 7.2 Utility 126 7.2.1 Associative 126 7.2.2 Action 126 7.2.3 Positional 128 7.2.4 Directional 129 7.2.5 Temporal 129 7.2.6 Pattern Directed Sampling 130 7.3 Limitations, Problems, and Common Acceptance of the Status Quo 130 7.3.1 Lack of Teamwork and Potential Synergism Between Criminal and Scientist Investigator 130 7.3.1.1 Lack of Appreciation for the Contributions of the Scientist (or Undervaluing of the Scientist) 131 7.3.2 Potential Failures of the Scientist Investigator 132 7.3.2.1 Investigator Inexperience 132 7.3.2.2 Neglect of Scientific Principles 132 7.3.2.2.1 Misunderstanding and/or Misuse of the Scientific Method 132 7.3.2.2.2 Over-Interpretation 136 7.3.2.2.3 Opinion of a Scientist vs. Scientific Opinion 139 7.3.2.3 Deficiency in Scientific Integrity 139 7.3.2.4 Cognitive Biases 140 7.3.3 Pre- and Post-Event Artifacts 140 7.3.4 Risks Engendered by Limited or Erroneous Information 141 7.3.5 Problems with “Patterns” 142 7.3.5.1 General Problems 142 7.3.5.2 Patterns Involving a Limited Number or Detail of Traces 143 7.3.5.3 Chronological Sequencing 144 7.3.5.4 Effects Caused by Interaction of Blood and Target Surface 144 7.3.5.5 Configurations Observed after Application of Blood Presumptive and Enhancement Reagents 147 7.3.6 Problems with the Interpretation of Specific Blood Trace Configurations 148 7.3.6.1 False Expectation of Airborne Blood Droplets from the First Wounding 148 7.3.6.2 Limitations in Determining the Origin with the Radial Spatter Configurations 149 7.3.6.3 Measurement Uncertainty and Significant Figures 150 7.3.6.4 “Height of Fall” Estimations 151 7.3.6.5 Crude Age Estimations of Dried Blood Traces Based on Appearance 152 7.3.7 Experimental Design 152 7.4 Blood Trace Configuration Analysis as Part of a Holistic Approach to Reconstruction 154 References 155 8 Science and Pseudoscience 157 8.1 Science 157 8.1.1 The Need for a Generalist-Scientist in Crime Scene Investigation 157 8.2 Pseudoscience 158 8.2.1 The Pernicious Consequences with Respect to Reconstructions 158 8.2.2 Pseudoscience Characteristics 158 8.2.2.1 Isolation 159 8.2.2.2 Nonfalsifiability 159 8.2.2.3 Misuse of Data 160 8.2.2.4 Lack of Replicability 160 8.2.2.5 Claims of Unusually High Precision, Sensitivity of Detection, or Accuracy of Measurement 160 8.2.3 Hallmarks of a Pseudoscientist 160 8.2.3.1 Impenetrability 161 8.2.3.2 Ulterior Motives (Financial Gain/Recognition) 161 8.2.3.3 Lack of Formal Science Education 162 8.2.3.4 Unwillingness to Self-Correct 162 8.3 Bad Science 163 8.4 Conclusions 164 References 164 9 Modes of Practice and Practitioner Preparation and Qualification 167 9.1 Existing Modes of Crime Scene Investigation Practice 167 9.1.1 The Folly of Casting Technicians into the Roles of Scientists 169 9.2 Preparations and Qualifications of Practitioners 170 9.2.1 Education and Training 172 9.2.2 Experience 173 9.2.3 Mentoring 174 9.2.4 Professional Development 174 9.2.5 Peer or Technical Review 174 9.2.6 Certification & Qualification Standards 176 References 177 10 Interesting and Illustrative Cases 179 10.1 The Sam Sheppard Case 180 10.1.1 Case Scenario/Background Information 180 10.1.2 The Physical Evidence and Its Interpretation 180 10.1.3 Conclusions 182 10.1.4 Lessons 184 10.2 Knife in the Gift Bag 185 10.2.1 Case Scenario/Background Information 185 10.2.2 The Physical Evidence and Its Interpretation 185 10.2.3 Conclusions 186 10.2.4 Lessons 186 10.3 The Farhan Nassar Case 186 10.3.1 Case Scenario/Background Information 186 10.3.2 The Physical Evidence and Its Interpretation 187 10.3.3 Conclusions 190 10.3.4 Lessons 191 10.4 Passive Documentation 191 10.4.1 Case Scenario/Background Information 191 10.4.2 The Physical Evidence and Its Interpretation 192 10.4.3 Conclusions 193 10.4.4 Lessons 193 10.5 The British Island Holiday Case 194 10.5.1 Case Scenario/Background Information 194 10.5.2 The Physical Evidence and Its Interpretation 195 10.5.3 Conclusions 198 10.5.4 Lessons 198 10.6 Absence of Evidence is Not Evidence of Absence 199 10.6.1 Case Scenario/Background Information 199 10.6.2 The Physical Evidence and Its Interpretation 200 10.6.3 Conclusions 201 10.6.4 Lessons 201 10.7 Triple Homicide 202 10.7.1 Case Scenario/Background Information 202 10.7.2 The Physical Evidence and Its Interpretation 202 10.7.3 Conclusions 204 10.7.4 Lessons 204 10.8 The O.J. Simpson Case 205 10.8.1 Case Scenario/Background Information 205 10.8.2 The Physical Evidence and Its Interpretation 207 10.8.2.1 Trails of Blood Droplets and Footwear 207 10.8.2.2 The Blood on and in the Bronco 213 10.8.2.3 The Socks and EDTA Testing 214 10.8.2.4 The Envelope 218 10.8.2.5 The Hat and Gloves 220 10.8.3 Conclusions 221 10.8.4 Lessons 223 10.9 A Vertical Crime Scene 223 10.9.1 Case Scenario/Background Information 223 10.9.2 The Physical Evidence and Its Interpretation 224 10.9.3 Conclusions 228 10.9.4 Lessons 229 10.10 Tissue Spatter from a Large Caliber Gunshot 229 10.10.1 Case Scenario/Background Information 229 10.10.2 The Physical Evidence and Its Interpretation 229 10.10.3 Conclusions 230 10.10.4 Lessons 230 10.11 Shooting of a Driver 230 10.11.1 Case Scenario/Background Information 230 10.11.2 The Physical Evidence and Its Interpretation 231 10.11.3 Conclusions 233 10.11.4 Lessons 233 10.12 A Contested Fratricide 235 10.12.1 Case Scenario/Background Information 235 10.12.2 The Physical Evidence and Its Interpretation 236 10.12.3 Conclusions 238 10.12.4 Lessons 238 References 240 11 “Bad” Cases – Misleading or Incompetent Interpretations 241 11.1 David Camm 242 11.1.1 Case Scenario/Background Information 242 11.1.2 The Physical Evidence and Its Interpretation 242 11.1.3 Conclusions 250 11.1.4 Lessons 251 11.2 Dew Theory 252 11.2.1 Case Scenario/Background Information 252 11.2.2 The Physical Evidence and Its Interpretation 252 11.2.3 Conclusions 253 11.2.4 Lessons 254 11.3 Murder of an Off-Duty Police Officer 254 11.3.1 Case Scenario/Background Information 254 11.3.2 The Physical Evidence and Its Interpretation 255 11.3.3 Conclusions 261 11.3.4 Lessons 261 11.4 The Imagined Mist Pattern 262 11.4.1 Case Scenario/Background Information 262 11.4.2 The Physical Evidence and Its Interpretation 262 11.4.3 Conclusions 263 11.4.4 Lessons 263 11.5 Concealed Blood Traces 264 11.5.1 Case Scenario/Background Information 264 11.5.2 The Physical Evidence and Its Interpretation 264 11.5.3 Conclusions 265 11.5.4 Lessons 265 11.6 A Stomping Homicide – Misuse of Enhancement Reagents 266 11.6.1 Case Scenario/Background Information 266 11.6.2 The Physical Evidence and Its Interpretation 266 11.6.3 Conclusions 268 11.6.4 Lessons 268 References 268 12 More Broadly Assessed Cases: Going Beyond the Request 269 12.1 Gunshot to the Forehead and the Runaway Car 270 12.1.1 Case Scenario/Background Information 270 12.1.2 The Physical Evidence and Its Interpretation 270 12.1.3 Conclusions 271 12.1.4 Lessons 271 12.2 The Obscured Bloody Imprint 273 12.2.1 Case Scenario/Background Information 273 12.2.2 The Physical Evidence and Its Interpretation 274 12.2.3 Conclusions 278 12.2.4 Lessons 278 12.3 The Murder of a Deputy: Shooting in a Hospital Room 279 12.3.1 Case Scenario/Background Information 279 12.3.2 The Physical Evidence and Its Interpretation 280 12.3.3 Conclusions 281 12.3.4 Lessons 281 13 Widely Held Misconceptions 283 13.1 Blood Traces Produced by Gunshot Wounds 283 13.1.1 Introduction to Firearms and Wounding 283 13.1.2 Microvascularization and Experimental Laboratory Models 285 13.1.3 Proposed Models and Their Failure to Consider Microvascular Structures 288 13.2 The “Normal Drop” Claim 295 13.3 MacDonell Priority Claims Relative to the Seminal 1939 Balthazard et al. Paper 296 13.4 The Claimed Equivalence of Deposits Diameters and Drop Diameters 296 13.5 Ambiguous Trace Configurations 297 13.5.1 Configuration Issues 297 13.5.2 Fabric Issues 298 13.6 Issues with Interpretation of Asymmetrical Blood Projections from Impacts 302 References 302 14 Resources 305 14.1 Bloodstain Pattern Analysis Groups 305 14.1.1 SWGSTAIN 306 14.1.2 NIST OSAC Bloodstain Pattern Analysis Subcommittee 308 14.1.3 Organizations 309 14.2 Publications and Other Information Sources 310 14.2.1 Journals 310 14.2.2 Newsletters 311 14.2.3 Books 311 14.2.4 Internet Resources 311 14.3 Training and Education 311 14.3.1 Continuing Education 312 14.4 Proficiency Tests 312 References 312 15 Concluding Remarks and Looking to the Future 315 15.1 Importance of Science on the Front End 315 15.2 The Integration of Physical Evidence with Police Investigations 316 15.3 Troubling Developments and Perceptions 317 15.4 Testing Facilities & the Creeping Inversion 318 15.5 The Pernicious Effects and Fallout from Bloodstain Workshops 319 15.6 Future Directions 320 References 323 BIBLIOGRAPHY 325 APPENDIX1: FUNDAMENTALS REVISITED 341

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Book SynopsisTable of ContentsList of Contributors xix Preface xxiii Author Biographies xxvii Part I Chemistry and Production of Lactic Acid, Lactide, and Poly(Lactic Acid) 1 1 Production and Purification of Lactic Acid and Lactide 3Wim Groot, Jan van Krieken, Olav Sliekersl, and Sicco de Vos 1.1 Introduction 3 1.2 Lactic Acid 4 1.2.1 History of Lactic Acid 4 1.2.2 Physical Properties of Lactic Acid 4 1.2.3 Chemistry of Lactic Acid 4 1.2.4 Production of Lactic Acid by Fermentation 5 1.2.5 Downstream Processing/Purification of Lactic Acid 8 1.2.6 Quality/Specifications of Lactic Acid 10 1.3 Lactide 10 1.3.1 Physical Properties of Lactide 10 1.3.2 Production of Lactide 11 1.3.3 Purification of Lactide 13 1.3.4 Quality and Specifications of Polymer-Grade Lactide 14 1.3.5 Concluding Remarks on Polymer-Grade Lactide 16 References 16 2 Aqueous Solutions of Lactic Acid 19Carl T. Lira and Lars Peereboom 2.1 Introduction 19 2.2 Structure of Lactic Acid 19 2.3 Vapor Pressure of Anhydrous Lactic Acid and Lactide 19 2.4 Oligomerization in Aqueous Solutions 20 2.5 Equilibrium Distribution of Oligomers 21 2.6 Vapor–Liquid Equilibrium 23 2.7 Density of Aqueous Solutions 25 2.8 Viscosity of Aqueous Solutions 25 2.9 Summary 26 References 26 3 Industrial Production of High-Molecular-Weight Poly(Lactic Acid) 29Anders Södergård, Mikael Stolt, and Saara Inkinen 3.1 Introduction 29 3.2 Lactic-Acid-Based Polymers by Polycondensation 30 3.2.1 Direct Condensation 31 3.2.2 Solid-State Polycondensation 32 3.2.3 Azeotropic Dehydration 33 3.3 Lactic Acid-Based Polymers by Chain Extension 34 3.3.1 Chain Extension with Diisocyanates 34 3.3.2 Chain Extension with Bis-2-Oxazoline 36 3.3.3 Dual Linking Processes 36 3.3.4 Chain Extension with Bis-Epoxies 36 3.4 Lactic-Acid-Based Polymers by Ring-Opening Polymerization 37 3.4.1 Polycondensation Processes 37 3.4.2 Lactide Manufacturing 37 3.4.3 Ring-Opening Polymerization 39 References 40 4 Design and Synthesis of Different Types of Poly(Lactic Acid)/Polylactide Copolymers 45Ann-Christine Albertsson, Indra Kumari Varma, Bimlesh Lochab, Anna Finne-Wistrand, Sangeeta Sahu, and Kamlesh Kumar 4.1 Introduction 45 4.2 Comonomers with Lactic Acid/Lactide 47 4.2.1 Glycolic Acid/Glycolide 47 4.2.2 Poly(Alkylene Glycol) 48 4.2.3 δ-Valerolactone and β-Butyrolactone 51 4.2.4 ε-Caprolactone 51 4.2.5 1,5-Dioxepan-2-One 52 4.2.6 Trimethylene Carbonate 52 4.2.7 Poly(N-Isopropylacrylamide) 52 4.2.8 Alkylthiophene (P3AT) 53 4.2.9 Polypeptide 53 4.3 Functionalized PLA 54 4.4 Macromolecular Design of Lactide-Based Copolymers 55 4.4.1 Graft Copolymers 57 4.4.2 Star-Shaped Copolymers 59 4.4.3 Periodic Copolymers 60 4.5 Properties of Lactide-Based Copolymers 62 4.6 Degradation of Lactide Homo-and Copolymers 63 4.6.1 Drug Delivery from Lactide-Based Copolymers 64 4.6.2 Radiation Effects 65 References 65 5 Preparation, Structure, and Properties of Stereocomplex-Type Poly(Lactic Acid) 73Neha Mulchandani, Yoshiharu Kimura, and Vimal Katiyar 5.1 Introduction 73 5.2 Stereocomplexation in Poly(Lactic Acid) 73 5.3 Crystal Structure of sc-PLA 74 5.4 Formation of Stereoblock PLA 75 5.4.1 Single-Step Process 75 5.4.2 Stepwise ROP 76 5.4.3 Chain Coupling Method 77 5.5 Stereocomplexation in Copolymers 79 5.5.1 Stereocomplexation in Random and Alternating Lactic Acid or Lactide-Based Polymers 79 5.5.2 sc-PLA–PCL Copolymers 80 5.5.3 sc-PLA–PEG Copolymers 80 5.6 Stereocomplex PLA-Based Composites 81 5.7 Advances in Stereocomplex-PLA 82 5.8 Conclusions 83 References 83 Part II Properties 87 6 Structures and Phase Transitions of PLA and Its Related Polymers 89Hai Wang and Kohji Tashiro 6.1 Introduction 89 6.2 Structural Study of PLA 89 6.2.1 Preparation of Crystal Modifications of PLA 89 6.2.2 Crystal Structure of the α Form 91 6.2.3 Crystal Structure of the δ Form 92 6.2.4 Crystal Structure of the β Form 93 6.2.5 Structure of the Mesophase 94 6.3 Thermally Induced Phase Transitions 95 6.3.1 Phase Transition in Cold Crystallization 95 6.3.2 Phase Transition in the Melt Crystallization 95 6.3.3 Mechanically Induced Phase Transition 96 6.4 Microscopically-viewed Structure-Mechanical Properties of PLA 98 6.5 Structure and Formation of PLLA/PDLA Stereocomplex 100 6.5.1 Reconsideration of the Crystal Structure 100 6.5.2 Experimental Support of P3 Structure Model 103 6.5.3 Formation Mechanism of Stereocomplex 104 6.6 PHB and Other Biodegradable Polyesters 106 6.6.1 Poly(3-Hydroxybutyrate) (PHB) 106 6.6.2 Polyethylene Adipate (PEA) 109 6.7 Future Perspectives 110 Acknowledgements 110 References 110 7 Optical and Spectroscopic Properties 115Isabel M. Marrucho 7.1 Introduction 115 7.2 Absorption and Transmission of UV–Vis Radiation 115 7.3 Refractive Index 118 7.4 Specific Optical Rotation 119 7.5 Infrared and Raman Spectroscopy 119 7.5.1 Infrared Spectroscopy 120 7.5.2 Raman Spectroscopy 125 7.6 1H and 13C NMR Spectroscopy 127 References 131 8 Crystallization and Thermal Properties 135Luca Fambri and Claudio Migliaresi 8.1 Introduction 135 8.2 Crystallinity and Crystallization 136 8.3 Crystallization Regime 140 8.4 Fibers 142 8.5 Commercial Polymers and Products 144 8.6 Degradation and Crystallinity 146 Acknowledgments 148 References 148 9 Rheology of Poly(Lactic Acid) 153John R. Dorgan 9.1 Introduction 153 9.2 Fundamental Chain Properties from Dilute Solution Viscometry 154 9.2.1 Unperturbed Chain Dimensions 154 9.2.2 Real Chains 154 9.2.3 Solution Viscometry 155 9.2.4 Viscometry of PLA 156 9.3 Processing of PLA: General Considerations 158 9.4 Melt Rheology: An Overview 159 9.5 Processing of PLA: Rheological Properties 160 9.6 Conclusions 165 Appendix 9.A Description of the Software 166 References 166 10 Mechanical Properties 169Mohammadreza Nofar, Gabriele Perego, and Gian Domenico Cella 10.1 Introduction 169 10.2 General Mechanical Properties and Molecular Weight Effect 170 10.2.1 Tensile and Flexural Properties 170 10.2.2 Impact Resistance 171 10.2.3 Hardness 172 10.3 Temperature Effect 172 10.4 Relaxation and Aging 173 10.5 Annealing 174 10.6 Orientation 176 10.7 Stereoregularity 179 10.8 Self-Reinforced PLA Composites 180 10.9 PLA Nanocomposites 180 10.10 Copolymerization 181 10.11 Plasticization 181 10.12 PLA Blends 182 10.13 Conclusions 186 References 186 11 Mass Transfer 191Uruchaya Sonchaeng and Rafael Auras 11.1 Introduction 191 11.2 Background on Mass Transfer in Polymers 193 11.3 Mass Transfer Properties of Neat PLA Films 194 11.3.1 Mass Transfer of Gases 194 11.3.2 Mass Transfer of Oxygen 199 11.3.3 Mass Transfer of Water Vapor 201 11.3.4 Mass Transfer of Organic Vapors 203 11.4 Mass Transfer Properties of Modified PLA 205 11.4.1 PLA Stereocomplex and PLA Blends 206 11.4.2 PLA Nanocomposites 207 11.4.3 Other PLA Modifications 207 11.4.4 PLA in Other Forms 207 11.5 Final Remarks 208 Acknowledgments 208 References 208 12 Migration and Interaction with Contact Materials 217Herlinda Soto-Valdez and Elizabeth Peralta 12.1 Introduction 217 12.2 Migration Principles 217 12.3 Legislation 218 12.4 Migration and Toxicological Data of Lactic Acid, Lactide, Dimers, and Oligomers 219 12.4.1 Lactic Acid 219 12.4.2 Lactide 224 12.4.3 Oligomers 225 12.5 EDI of Lactic Acid 226 12.6 Other Potential Migrants from PLA 227 12.7 Conclusions 227 References 228 Part III Processing and Conversion 231 13 Processing of Poly(Lactic Acid) 233Loong-Tak Lim, Tim Vanyo, Jed Randall, Kevin Cink, and Ashwini K. Agrawal 13.1 Introduction 233 13.2 Properties of PLA Relevant to Processing 233 13.3 Modification of PLA Properties by Process Aids and Other Additives 235 13.4 Drying and Crystallizing 237 13.5 Extrusion 239 13.6 Injection Molding 241 13.7 Film and Sheet Casting 245 13.8 Stretch Blow Molding 249 13.9 Extrusion Blown Film 251 13.10 Thermoforming 252 13.11 Melt Spinning 254 13.12 Solution Spinning 258 13.13 Electrospinning 261 13.14 Filament Extrusion and 3D-Printing 265 13.15 Conclusion: Prospects of PLA Polymers 266 References 267 14 Blends 271Ajay Kathuria, Sukeewan Detyothin, Waree Jaruwattanayon, Susan E. M. Selke, and Rafael Auras 14.1 Introduction 271 14.2 PLA Nonbiodegradable Polymer Blends 272 14.2.1 Polyolefins 272 14.2.2 Vinyl and Vinylidene Polymers and Copolymers 279 14.2.3 Rubbers and Elastomers 285 14.2.4 PLA/PMMA Blends 287 14.3 PLA/Biodegradable Polymer Blends 289 14.3.1 Polyanhydrides 289 14.3.2 Vinyl and Vinylidene Polymers and Copolymers 289 14.3.3 Aliphatic Polyesters and Copolyesters 297 14.3.4 Aliphatic–Aromatic Copolyesters 303 14.3.5 Elastomers and Rubbers 305 14.3.6 Poly(Ester Amide)/PLA Blends 307 14.3.7 Polyethers and Copolymers 307 14.3.8 Annually Renewable Biodegradable Materials 309 14.4 Plasticization of PLA 322 14.5 Conclusions 326 References 327 15 Foaming 341Laurent M. Matuana 15.1 Introduction 341 15.2 Plastic Foams 341 15.3 Foaming Agents 342 15.3.1 Physical Foaming Agents 342 15.3.2 Chemical Foaming Agents 342 15.4 Formation of Cellular Plastics 343 15.4.1 Dissolution of Blowing Agent in Polymer 343 15.4.2 Bubble Formation 343 15.4.3 Bubble Growth and Stabilization 344 15.5 Plastic Foams Expanded with Physical Foaming Agents 344 15.5.1 Microcellular Foamed Polymers 344 15.5.2 Solid-State Batch Microcellular Foaming Process 345 15.5.3 Microcellular Foaming in a Continuous Process 353 15.6 PLA Foamed with Chemical Foaming Agents 358 15.6.1 Effects of CFA Content and Type 358 15.6.2 Effect of Processing Conditions 359 15.7 Mechanical Properties of PLA Foams 360 15.7.1 Batch Microcellular Foamed PLA 360 15.7.2 Extrusion of PLA 361 15.7.3 Microcellular Injection Molding of PLA 362 15.8 Foaming of PLA/Starch and Other Blends 362 References 363 16 Composites 367Tanmay Gupta, Vijay Shankar Kumawat, Subrata Bandhu Ghosh, Sanchita Bandyopadhyay-Ghosh, and Mohini Sain 16.1 Introduction 367 16.2 PLA Matrix 367 16.3 Reinforcements 368 16.3.1 Natural Fiber Reinforcement 368 16.3.2 Synthetic Fiber Reinforcement 370 16.3.3 Organic Filler Reinforcement 370 16.3.4 Inorganic Filler Reinforcement 371 16.3.5 Laminated/Structural Composites 372 16.4 Nanocomposites 374 16.5 Surface Modification 375 16.5.1 Filler Surface Modification 375 16.5.2 Compatibilizing Agent 376 16.5.3 Composite Surface Modification 377 16.6 Processing 377 16.6.1 Conventional Processing 377 16.6.2 3D Printing 378 16.7 Properties 379 16.7.1 Mechanical Properties 379 16.7.2 Thermal Properties 382 16.7.3 Flame Retardancy 382 16.7.4 Degradation 383 16.7.5 Shape Memory Properties 383 16.8 Applications 384 16.8.1 Biomedical Applications 385 16.8.2 Packaging Applications 387 16.8.3 Automotive Applications 387 16.8.4 Sensing and Other Electronic Applications 388 16.9 Future Developments and Concluding Remarks 390 References 390 17 Nanocomposites: Processing and Mechanical Properties 411Suprakas Sinha Ray 17.1 Introduction 411 17.2 Nanoclay-Containing PLA Nanocomposites 412 17.3 Carbon-Nanotubes-Containing PLA Nanocomposites 414 17.4 Graphene-Containing PLA Nanocomposites 416 17.5 Nanocellulose-Containing PLA Nanocomposites 417 17.6 Other Nanoparticle-Containing PLA Nanocomposites 418 17.7 Mechanical Properties of PLA-Based Nanocomposites 419 17.8 Possible Applications and Future Prospects 421 Acknowledgment 422 References 422 18 Mechanism of Fiber Structure Development in Melt Spinning of PLA 425Nanjaporn Roungpaisan, Midori Takasaki, Wataru Takarada, and Takeshi Kikutani 18.1 Introduction-Fundamentals of Structure Development in Polymer Processing 425 18.2 High-speed Melt Spinning of PLLAs with Different d-Lactic Acid Content 426 18.2.1 Wide-angle X-ray Diffraction 426 18.2.2 Birefringence 427 18.2.3 Differential Scanning Calorimetry 428 18.2.4 Modulated-DSC and Lattice Spacing 429 18.3 High-speed Melt-Spinning of Racemic Mixture of PLLA and PDLA 430 18.3.1 Stereocomplex Crystal 430 18.3.2 Melt Spinning of PLLA/PDLA Blend 430 18.3.3 WAXD 431 18.3.4 Differential Scanning Calorimetry 432 18.3.5 In Situ WAXD upon Heating 432 18.4 Bicomponent Melt Spinning of PLLA and PDLA 433 18.4.1 Sheath-Core and Islands-in-the-Sea Configurations 433 18.4.2 Birefringence 434 18.4.3 DSC 434 18.4.4 Post Annealing 435 18.5 Concluding Remarks 436 References 437 Part IV Degradation, Environmental Impact, and End of Life 439 19 Photodegradation and Radiation Degradation 441Wataru Sakai and Naoto Tsutsumi 19.1 Introduction 441 19.2 Mechanisms of Photodegradation 441 19.2.1 Photon 441 19.2.2 Photon Absorption 442 19.2.3 Photochemical Reactions of Carbonyl Groups 443 19.3 Mechanism of Radiation Degradation 443 19.3.1 High-Energy Radiation 443 19.3.2 Basic Mechanism of Radiation Degradation 444 19.4 Photodegradation of PLA 444 19.4.1 Fundamental Mechanism 444 19.4.2 Photooxidation Degradation 446 19.4.3 High-Energy Photo-Irradiation 447 19.4.4 Photosensitized Degradation of PLA 447 19.4.5 Photodegradation of PLA Blends 449 19.5 Radiation Degradation of PLA 449 19.6 Irradiation Effects on Biodegradability 451 19.7 Modification and Composites of PLA 452 References 452 20 Thermal Degradation 455Haruo Nishida 20.1 Introduction 455 20.2 Thermal Degradation Behavior of PLLA Based on Weight Loss 455 20.2.1 Diverse Mechanisms 455 20.2.2 Factors Affecting the Thermal Degradation Mechanism 456 20.2.3 Thermal Stabilization 457 20.3 Kinetic Analysis of Thermal Degradation 458 20.3.1 Single-Step Thermal Degradation Process 458 20.3.2 Complex Thermal Degradation Process 459 20.4 Kinetic Analysis of Complex Thermal Degradation Behavior 460 20.4.1 Two-Step Complex Reaction Analysis of PLLA in Blends 460 20.4.2 Multistep Complex Reaction Analysis of Commercially Available PLLA 461 20.5 Thermal Degradation Behavior of PLA Stereocomplex: scPLA 463 20.6 Control of Racemization 464 20.7 Conclusions 465 References 465 21 Hydrolytic Degradation 467Hideto Tsuji 21.1 Introduction 467 21.2 Degradation Mechanism 467 21.2.1 Molecular Degradation Mechanism 468 21.2.2 Material Degradation Mechanism 479 21.2.3 Degradation of Crystalline Residues 485 21.3 Parameters for Hydrolytic Degradation 488 21.3.1 Effects of Surrounding Media 488 21.3.2 Effects of Material Parameters 490 21.4 Structural and Property Changes During Hydrolytic Degradation 498 21.4.1 Fractions of Components 498 21.4.2 Crystallization 498 21.4.3 Mechanical Properties 499 21.4.4 Thermal Properties 499 21.4.5 Surface Properties 500 21.4.6 Morphology 500 21.5 Applications of Hydrolytic Degradation 500 21.5.1 Material Preparation 500 21.5.2 Recycling of PLA to Its Monomer 502 21.6 Conclusions 503 References 503 22 Enzymatic Degradation 517Ken’ichiro Matsumoto, Hideki Abe, Yoshihiro Kikkawa, and Tadahisa Iwata 22.1 Introduction 517 22.1.1 Definition of Biodegradable Plastics 517 22.1.2 Enzymatic Degradation 517 22.2 Enzymatic Degradation of PLA Films 519 22.2.1 Structure and Substrate Specificity of Proteinase K 519 22.2.2 Enzymatic Degradability of PLLA Films 519 22.2.3 Enzymatic Degradability of PLA Stereoisomers and Their Blends 520 22.2.4 Effects of Surface Properties on Enzymatic Degradability of PLLA Films 521 22.3 Enzymatic Degradation of Thin Films 525 22.3.1 Thin Films and Analytical Techniques 525 22.3.2 Crystalline Morphologies of Thin Films 525 22.3.3 Enzymatic Adsorption and Degradation Rate of Thin Films 526 22.3.4 Enzymatic Degradation of LB Film 526 22.3.5 Application of Selective Enzymatic Degradation 529 22.4 Enzymatic Degradation of Lamellar Crystals 530 22.4.1 Enzymatic Degradation of PLLA Single Crystals 530 22.4.2 Thermal Treatment and Enzymatic Degradation of PLLA Single Crystals 532 22.4.3 Single Crystals of PLA Stereocomplex 533 22.5 Recent Advances in Characterization of Enzymes that Degrade PLAs Including PDLA and Related Copolymers 534 22.5.1 αβ-Hydrolase 535 22.5.2 Lipases and Cutinase-Like Enzymes 535 22.5.3 Polyhydroxyalkanoate Depolymerases 536 22.5.4 Enhancement of Biodegradability of PLAs 536 22.5.5 Control of Enzymatic Degradation of PLAs 537 22.6 Future Perspectives 537 References 537 23 Environmental Footprint and Life Cycle Assessment of Poly (Lactic Acid) 541Amy E. Landis, Shakira R. Hobbs, Dennis Newby, Ja’Maya Wilson, and Talia Pincus 23.1 Introduction to LCA and Environmental Footprints 541 23.1.1 Life Cycle Assessment 541 23.1.2 Uncertainty in LCA 542 23.2 Life Cycle Considerations for PLA 542 23.2.1 The Life Cycle of PLA 542 23.2.2 Energy Use and Global Warming 544 23.2.3 Environmental Trade-Offs 544 23.2.4 Waste Management 545 23.2.5 End of Life 546 23.3 Review of Biopolymer LCA Studies 546 23.3.1 Cradle-to-Gate and Cradle-to-Grave LCAs 546 23.3.2 End-of-Life LCAs 547 23.4 Improving PLA’s Environmental Footprint 553 23.4.1 Agricultural Management 553 23.4.2 Feedstock Choice 554 23.4.3 Energy 554 23.4.4 Design for End of Life 555 References 555 24 End-of-Life Scenarios for Poly(Lactic Acid) 559Anibal Bher, Edgar Castro-Aguirre, and Rafael Auras 24.1 Introduction 559 24.2 Transition from a Linear to a Circular Economy for Plastics 559 24.3 Waste Management System 561 24.4 End-of-Life Scenarios for PLA 564 24.4.1 Prevention and Source Reduction 565 24.4.2 Reuse 566 24.4.3 Recycling 566 24.4.4 Biodegradation 569 24.4.5 Incineration with Energy Recovery 572 24.4.6 Landfill 573 24.5 LCA of End-of-Life Scenario for PLA 574 24.6 Final Remarks 575 References 575 Part V Applications 581 25 Medical Applications 583Shuko Suzuki and Yoshito Ikada 25.1 Introduction 583 25.2 Minimal Requirements for Medical Devices 583 25.2.1 General 583 25.2.2 PLA as Medical Implants 584 25.3 Preclinical and Clinical Applications of PLA Devices 585 25.3.1 Fibers 585 25.3.2 Meshes 588 25.3.3 Bone Fixation Devices 589 25.3.4 Micro-and Nanoparticles, and Thin Coatings 595 25.3.5 Scaffolds 597 25.4 Conclusions 598 References 598 26 Packaging and Consumer Goods 605Hayati Samsudin and Fabiola Iñiguez-Franco 26.1 Introduction: Polylactic Acid (PLA) in Packaging and Consumer Goods 605 26.2 Food and Beverage 606 26.2.1 Evolution of PLA in the Food and Beverage Market 606 26.2.2 Growing Interest in PLA Serviceware 607 26.3 Distribution Packaging 612 26.4 Other Consumer Goods : Automotive 613 26.5 Other Consumer Goods 613 26.6 Challenges and Final Remarks 614 References 615 27 Textile Applications 619Masatsugu Mochizuki 27.1 Introduction 619 27.2 Manufacturing, Properties, and Structure of PLA Fibers 619 27.2.1 PLA Fiber Manufacture 619 27.2.2 Properties of PLA Fibers and Textile 619 27.2.3 Effects of Structure on Properties 620 27.2.4 PLA Stereocomplex Fibers 621 27.3 Key Performance Features of PLA Fibers 621 27.3.1 Biodegradability and the Biodegradation Mechanism 621 27.3.2 Moisture Management 623 27.3.3 Antibacterial/Antifungal Properties 623 27.3.4 Low Flammability 624 27.3.5 Weathering Stability 624 27.4 Potential Applications 625 27.4.1 Geotextiles 625 27.4.2 Industrial Fabrics 625 27.4.3 Filters 626 27.4.4 Towels and Wipes 626 27.4.5 Home Furnishings 627 27.4.6 Clothing and Personal Belongings 627 27.4.7 3D-Printing Filament 628 27.5 Conclusions 628 References 628 28 Environmental Applications 631Akira Hiraishi and Takeshi Yamada 28.1 Introduction 631 28.2 Application to Water and Wastewater Treatment 631 28.2.1 Application as Sorbents 631 28.2.2 Application to Nitrogen Removal 633 28.3 Application to Methanogenesis 637 28.3.1 Anaerobic Digestion 637 28.3.2 Methanogenic Microbial Community 637 28.4 Application to Bioremediation 638 28.4.1 Significance of PLA Use 638 28.4.2 Bioremediation of Organohalogen Pollution 638 28.4.3 Other Applications 639 28.5 Concluding Remarks and Prospects 640 Acknowledgments 641 References 641 Index 645

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Book SynopsisNew perspectives on how to successfully drive changes in companies' process safety management systems Simply learning from process safety incidents has proven to be insufficient to drive performance improvements. To truly change, organizations must seek out & embed learnings in their programs & systems. This book picks up from previous CCPS books, Incidents That Define Process Safety and Investigating Process Safety Incidents. This important book: Offers guidelines for improving process safety performance by embedding the lessons learned from publicly available investigationsRecommends a continuous improvement learning model focused on organizational learningProvides examples for using the model's techniques to drive continuous improvements Contains an index of more than 400 investigated incidents and introduces the concept of Drilldown to help find lessons that might not have been mentioned before. Written for safety professionals and process safety consultants, Driving Continuous Process Safety Improvement from Investigated Incidents is a hands-on guide for adopting a model for successfully driving the learnings from process safety incident investigations.Table of ContentsAcronyms and Abbreviations xv Acknowledgements xvii Glossary xix Foreword xxi Executive Summary xxiii Applicability of this Book xxvii 1 Introduction 1 1.1 The Focus of this Book 2 1.2 Why Should We Learn from Incidents? 4 1.2.1 The Theory of Root Cause Correction 6 1.2.2 Acting on Learning from High Potential Near-misses 7 1.2.3 Learning from Other Companies’ (External) Incidents 8 1.2.4 Societal Expectations and the Business Case 8 1.3 References 10 2 Learning Opportunities 13 2.1 Think Broadly 13 2.1.1 Look Beyond the Specific Circumstances 13 2.1.2 Learn from Other Industries 15 2.1.3 Learn from Regulatory Standards and Beyond 17 2.2 Resources for Learning 18 2.2.1 Process Safety Boards 18 2.2.2 Databases 18 2.2.3 Publications 19 2.2.4 Events and Proceedings 21 2.2.5 Other Resources 22 2.3 References 22 3 Obstacles to Learning 27 3.1 The Impact of Individuals 28 3.2 The Impact of Company Culture 31 3.3 Obstacles Common to Individuals and Companies 34 3.4 Consequences of Not Learning from Incidents 35 3.5 References 36 4 Examples of Failure to Learn 39 4.1 Process Safety Culture 40 4.2 Facility Siting 42 4.3 Maintenance of Barriers/Barrier Integrity 44 4.4 Chemical Reactivity Hazards 48 4.5 Asphyxiation Hazards in Confined Spaces 49 4.6 Hot Work Hazards 50 4.7 References 51 5 Learning Models 55 5.1 Learning Model Requirements 55 5.2 Learning Models for Individuals 57 5.2.1 Multiple Intelligences and Learning Styles Model 57 5.2.2 Career Architect Model 58 5.2.3 Dynamic Learning 59 5.2.4 Ancient Sanskrit 59 5.2.5 Guiding Principles for Learning 60 5.3 Corporate Change Models 61 5.3.1 Lewin 61 5.3.2 McKinzie 7-S® 62 5.3.3 Kotter 63 5.3.4 ADKAR® 63 5.3.5 IOGP 64 5.4 The Recalling Experiences and Applied Learning (REAL) Model 65 5.5 References 67 6 Implementing the REAL Model 69 6.1 Focus 71 6.1.1 Identify High Potential Impact Learning Opportunities 71 6.1.2 76 6.2 Seek Learnings 79 6.3 Understand 80 6.4 Drilldown 80 6.5 Internalize 82 6.6 Prepare 83 6.7 Implement 85 6.8 Embed and Refresh 86 6.9 References 86 7 Keep Learnings Fresh 89 7.1 Musical Intelligence 91 7.2 Visual-Spatial Intelligence 93 7.3 Verbal-Linguistic Intelligence 95 7.4 Logical-Mathematical Intelligence 97 7.5 Kinesthetic Intelligence 98 7.6 Interpersonal Intelligence 99 7.7 Intrapersonal Intelligence 100 7.8 Naturalistic Intelligence 101 7.9 Summary 102 7.10 References 102 8 Landmark Incidents that Everyone Should Learn From 105 8.1 Flixborough, North Lincolnshire, UK, 1974 106 8.2 Bhopal, Madhya Pradesh, India, 1984 108 8.3 Piper Alpha, North Sea off Aberdeen, Scotland, 1988 110 8.4 Texas City, TX, USA, 2005 111 8.5 Buncefield, Hertfordshire, UK, 2005 113 8.6 West, TX, USA, 2013 113 8.7 NASA Space Shuttles Challenger, 1986, and Columbia, 2003 115 8.8 Fukushima Daiichi, Japan, 2011 117 8.9 Summary 118 8.10 References 118 9 REAL Model Scenario: Chemical Reactivity Hazards 121 9.1 Focus 121 9.2 Seek Learnings 122 9.3 Understand 124 9.4 Drilldown 125 9.5 Internalize 126 9.6 Prepare 127 9.7 Implement 128 9.8 Embed and Refresh 129 9.9 References 130 10 REAL Model Scenario: Leaking Hoses and Unexpected Impacts of Change 131 10.1 Focus 132 10.2 Seek Learnings 132 10.3 Understand 135 10.4 Drilldown 135 10.5 Internalize 137 10.6 Prepare 138 10.7 Implement 139 10.8 Embed and Refresh 140 10.9 References 141 11 REAL Model Scenario: Culture Regression 143 11.1 Focus 144 11.2 Seek Learnings 145 11.3 Understand 148 11.4 Drilldown 149 11.5 Internalize 149 11.6 Prepare 150 11.7 Implement 152 11.8 Embed and Refresh 153 11.9 References 154 12 REAL Model Scenario: Overfilling 155 12.1 Focus 156 12.2 Seek Learnings 157 12.3 Understand 159 12.4 Drilldown 160 12.5 Internalize 161 12.6 Prepare 164 12.7 Implement 166 12.8 Embed and Refresh 167 12.9 References 167 13 REAL Model Scenario: Internalizing a High-Profile Incident 169 13.1 Focus 169 13.2 Seek Learnings 170 13.3 Understand 173 13.4 Drilldown 174 13.5 Internalize 175 13.6 Prepare 175 13.7 Implement 176 13.8 Embed and Refresh 176 13.9 References 178 14 REAL Model Scenario: Population Encroachment 179 14.1 Focus 180 14.2 Seek Learnings 181 14.3 Understand 184 14.4 Drilldown 184 14.5 Internalize 185 14.6 Prepare 186 14.7 Implement 187 14.8 Embed and Refresh 188 14.9 References 189 15 Conclusion 191 15.1 References 194 Appendix: Index of Publicly Evaluated Incidents 195 A.1 Introduction 195 A.2 How to Use this Index 196 A.3 Index of Publicly Evaluated Incidents 197 A.4 Report References 211 A.5 References 236 Index 239

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Book SynopsisPHYSICS, OPTICS, AND SPECTROSCOPY OF MATERIALS Bridges a gap that exists between optical spectroscopists and laser systems developers Physics, Optics, and Spectroscopy of Materials provides professionals and students in materials science and engineering, optics, and spectroscopy a basic understanding and tools for stimulating current research, as well as developing and implementing new laser devices in optical spectroscopy. The authora noted expert on that subject mattercovers a wide range of topics including: effects of light and mater interaction such as light absorption, emission and scattering by atoms and molecules; energy levels in hydrogen, hydrogen-like atoms, and many electron atoms; electronic structure of molecules, classification of vibrational and rotational motions of molecules, wave propagation and oscillations in dielectric solids, light propagation in isotropic and anisotropic solids, including frequency doubling dividing and shifting, solid materials optics, and laseTable of ContentsIntroduction XIII 1 Electromagnetic Radiation/Matter Interaction – A Classical Approach 1 1.1 Electromagnetic Radiation by Atoms and Molecules 1 1.2 Spectral Line Widths 5 1.2.1 Natural Width 5 1.2.2 Doppler Broadening 7 1.2.3 Additional Broadening Mechanisms 9 1.3 Electromagnetic Radiation Absorption by Atoms and Molecules 10 1.4 Radiation Scattering by Atoms and Molecules 14 1.5 Reminder: Multipole Moments Expansion 18 Exercises for Chapter 1 20 2 Electromagnetic Radiation/Matter Interaction – A Semi-Quantum Approach 21 2.1 A Reminder of Perturbation Theory 21 2.1.1 Static Perturbation Theory 21 2.1.2 Time-Dependent Perturbation Theory 23 2.2 A Reminder of Planck’s Black-Body Radiation 26 2.3 An Atom or Molecule in an Electromagnetic Radiation Field 28 2.4 Stimulated Emission and Einstein’s Coefficients 30 2.5 Radiation Absorption and Amplification in Matter 32 2.6 Black Body Radiation – Continuation and Completion 36 Exercises for Chapter 2 39 3 The Hydrogen Atom – Electrostatic Attraction Approximation 41 3.1 De Broglie Waves and Schrödinger’s Equation 41 3.2 Differential Operators and Physical Quantities 44 3.3 Schrödinger Equation Solution for Hydrogen and Hydrogen-Like Atoms 45 3.4 Physical Meanings of Schrödinger Equation Solutions for Hydrogen-Like Atoms 55 3.5 Spectroscopy of Hydrogen and Hydrogen-Like Atoms 60 3.6 Selection Rules 61 Exercises for Chapter 3 64 4 Hydrogen Atom – Corrections to the Electrostatic Attraction Approximation 67 4.1 Angular Momentum and the Orbital Quantum Number 67 4.2 Mechanical Relativistic Correction to the Eigenenergies of the Hydrogen Atom 71 4.3 Electron Spinning 72 4.3.1 Infinitesimal Rotations and the Angular Momentum Operator 73 4.3.2 Generalization of the Angular Momentum Concept 75 4.3.2.1 Basis Functions Properties 75 4.3.2.2 Eigenvalues of the J 2 Operator 76 4.3.2.3 Matrix Elements of Angular Momentum Operators 77 4.3.2.4 Electron Spin 77 4.4 Combining Orbital Angular Momentum and Spin 80 4.5 Gyromagnetic Ratio and Spin/Orbit Coupling 82 4.5.1 The Gyromagnetic Ratio 82 4.5.2 Spin/Orbit Interaction 83 4.5.2.1 Electric Dipole of a Moving Magnetic Dipole 83 4.5.2.2 Thomas Precession 84 4.5.2.3 Total Spin/Orbit Coupling 85 4.5.3 Summed Energy Spectrum Correction 85 4.6 Landé Factor 86 4.7 Lamb Shift 87 4.8 Selection Rules and Transition Probabilities 91 4.9 Static External Magnetic and Electric Fields: Zeeman and Stark Effects 95 4.9.1 Zeeman Splitting 95 4.9.1.1 Weak Magnetic Field 95 4.9.1.2 Strong Magnetic Field 97 4.9.2 Stark Splitting 98 4.9.2.1 Ground State; First-Order Perturbation Theory 98 4.9.2.2 Ground State; Second-Order Perturbation Theory 98 4.9.2.3 First Excited State; First-Order Perturbation Theory 101 4.10 The Fine Structure 103 4.10.1 Isotope Shifting 103 4.10.2 Nuclear Magnetic Shifting 104 4.10.3 Nuclear Quadrupole Shifting 104 4.11 Appendix: Clebsch-Gordan Coefficients for Coupling of Two Angular Momentums 104 Exercises for Chapter 4 104 5 Many-Electron Atoms 107 5.1 Preamble 107 5.2 Helium-Like Atoms 107 5.2.1 Zero-Order Approximation under the Independent Electron Model 108 5.2.2 First-Order Correction and the Effective Screening Idea 109 5.2.3 Exchange Symmetry 111 5.2.4 Helium Energy Level Scheme 114 5.3 Bosons, Fermions, and Pauli Exclusion Principle 115 5.3.1 Harmonic Oscillator 115 5.3.1.1 Hamiltonian and Creation and Destruction Operators 115 5.3.1.2 Energy Levels Scheme of the Harmonic Oscillator 117 5.3.1.3 Eigenfunctions of the Harmonic Oscillator 117 5.3.1.4 Bosons 119 5.3.2 Angular Momentum 119 5.3.2.1 Annihilation, Creation, and Occupation Operators 119 5.3.2.2 Pauli Exclusion Principle 121 5.4 Electronic Structure of Many-Electron Atoms 122 5.4.1 Slater Determinant 122 5.4.2 Electron Configuration and the Shell Structure 122 5.4.3 Electronic Configuration and Chemical Stability 124 5.4.4 Spin/Orbit Coupling and Term Determination 125 5.5 Excited-States Structure in Many-Electron Atoms 133 5.5.1 States Structure of Single Valence Atoms 133 5.5.2 States Structure of Two-Valence Atoms 135 5.5.3 Classical Approximations 138 Exercises for Chapter 5 139 6 Electron Orbits in Molecules 141 6.1 Preamble 141 6.2 The Hydrogen Molecule Ion 142 6.2.1 The Hamiltonian of the Hydrogen Molecule Ion 142 6.2.2 A Qualitative Approach to Solution Using a Linear Combination of Atomic Orbitals 143 6.2.3 Energy States Calculation by LCAO Method 145 6.2.4 Improvements in the LCAO Method 149 6.2.5 Optical Transition Probabilities 149 6.3 Molecular Electronic Angular Momentum 150 6.3.1 Eigenfunctions of L 2 and L 2 Z in a Lone Atom 150 6.3.2 Orbital Angular Momentum of an Independent Electron in a Molecule 152 6.3.3 Electronic Spin in a Diatomic Molecule 153 6.4 Many-Electron Homonuclear Diatomic Molecules 153 6.5 Many-Electron Heteronuclear Diatomic Molecules 158 6.6 Multiatomic Molecules 160 6.6.1 Nonconjugated Molecules 161 6.6.2 Conjugated Molecules 166 6.7 Appendix: Calculation of an Infinitesimal Volume Element in Elliptic Coordinates 170 Exercises for Chapter 6 172 7 Molecular (Especially Diatomic) Internal Oscillations 173 7.1 Preamble 173 7.2 The Born-Oppenheimer Approximation 173 7.3 Vibrational and Rotational Modes of Diatomic Molecules 176 7.3.1 Empiric Analytic Potential 176 7.3.2 Molecular Vibrational Modes 177 7.3.3 Molecular Rotational Modes 178 7.3.4 Molecular Vibrational/Rotational Modes 180 7.3.5 Transition Probabilities and Selection Rules 182 7.4 Vibrational/Rotational Absorption Spectra 185 7.4.1 Pure Rotational Transitions 185 7.4.2 Temperature Dependence of Pure Rotational Transitions 185 7.4.3 Mixed Vibration/Rotation Transitions 188 7.5 Electronic Transitions and the Franck-Condon Principle 189 7.5.1 General Considerations 189 7.5.2 Selection Rules for Electronic Transitions 190 7.5.3 Temperature Dependence of the Electronic Transitions Spectrum 192 7.5.4 The Franck-Condon Principle 193 7.5.5 Fluorescence and Stokes-Shift 195 7.5.6 Selection Rules for Electronic Transitions Including Vibrations and Rotations 197 Exercises for Chapter 7 199 8 Internal Oscillations of Polyatomic Molecules 201 8.1 Preamble 201 8.2 Zero-Order Mechanical Energy Approximation of a Polyatomic Molecule 201 8.3 Molecular Vibrational Modes 204 8.4 Vibrational Energy Scheme 207 8.5 Rayleigh and Raman Scattering 207 8.5.1 General Rayleigh Scattering by Molecules 207 8.5.2 Raman Scattering 212 8.6 Point Symmetry 215 8.7 Group Representations, Characters, and Reduction Equation 220 8.8 Similarity Classes, Irreducible Representations, and Character Tables 221 8.9 Selection Rules for Electric Dipole Absorption and Raman Scattering 223 8.10 Method for Calculation and Description of Molecular Vibrational Species 225 8.11 Examples of Molecular Vibrational Symmetry Species 227 8.11.1 The Ammonia NH 3 Molecule 227 8.11.2 The Ethylene C 2 H 4 Molecule 228 8.11.3 The Carbon Tetrachloride CCl 4 Molecule 230 8.12 Point Groups, Character Tables, and Selection Rules 232 8.12.1 The C p group 232 Exercises for Chapter 8 241 9 Crystalline Solids 245 9.1 Preamble 245 9.2 Periodic Crystals 245 9.3 Lattice-Vector and Lattice-Plane Orientations 251 9.4 The Reciprocal Lattice 251 9.5 Internal Crystalline Oscillations 252 9.5.1 Introduction 252 9.5.2 Hamiltonian and Dynamic Equations 253 9.5.3 Allowed Wave-Number States and Their Density 255 9.5.4 Dispersion Curves 257 9.5.4.1 Acoustic Modes 259 9.5.4.2 Optical Oscillation Modes 264 9.5.5 Theoretical Dispersion Curve Calculations – A Basic Approach 272 9.5.6 Dispersion Curves and Specific Heats 273 9.6 Appendix: Intermediate Calculation for Justifying Eq. (9.11) 274 Exercises for Chapter 9 275 10 Dielectric Crystalline Solids 277 10.1 Light Propagation in a Dielectric Medium 277 10.2 Light Transition from Vacuum into a Dielectric Medium 283 10.3 Kramers-Kronig Relations 286 10.4 A Microscopic Model of the Dielectric Function 289 10.5 A Reminder: Gradient, Divergence, Rotor, and the Cauchy Equation 297 10.5.1 Gradient, Divergence, and Rotor 297 10.5.2 Cauchy’s Equation 298 Exercises for Chapter 10 299 11 Crystalline Oscillation Species 301 11.1 Introduction 301 11.2 Crystalline Sites 301 11.3 Tabulation Method 302 11.4 Calculation of Crystalline Oscillation Species – An Example 305 11.5 Tabulation of Crystalline Space Group Properties 310 Exercises for Chapter 11 346 12 Atoms and Ions in Crystalline Sites 347 12.1 Introduction 347 12.2 Energy States of Alkali and Alkali-Like Atoms 347 12.3 Energy States of Many-Electron Atoms and Ions 349 12.4 Dopant Atoms or Ions in Crystalline Sites 362 12.4.1 The Full Rotation Group and its Representations 363 12.4.2 A Hydrogen-Like Atom in a Crystalline Perturbation Field 366 12.4.3 Example: States Splitting in a Cubic Perturbation Field 368 12.4.4 Tanabe-Sugano Diagrams 373 12.5 Transition Probabilities and Selection Rules 374 12.6 Spectroscopic Examples 375 12.7 Appendix: An Integral Over Three Multiplied Spherical Harmonics 378 Exercises for Chapter 12 379 13 Non-Radiative and Mixed Decay Transitions 381 13.1 Non-Radiative Transitions Between Close Electronic States 381 13.1.1 Debye Approximation of Phonon Dispersion Curves 381 13.1.2 Non-Radiative Transitions Between Very Close Electronic States 382 13.1.3 Non-Radiative Transitions Between Close Electronic States 386 13.2 Radiative Transition Lifetime and Optical Absorption and Emission Spectra 389 13.3 Multi-Phonon Non-Radiative Transitions 395 13.3.1 Principles and Methods in Experimental Measurement of Non-Radiative Lifetimes 395 13.3.2 Theoretical Calculation of the Non-Radiative Lifetime 396 Exercises for Chapter 13 406 14 Basic Acquaintance with the Laser and Its Components 407 14.1 General Description 407 14.2 The Optical Cavity 408 14.3 The Prism 409 14.3.1 A Prism Minimum Deviation Arrangement 410 14.3.2 Light Dispersion in a Prism 412 14.3.3 Prism Wavelength Resolution 412 14.4 Reflection Grating 414 14.4.1 Light Diffraction Off a Reflection Grating 414 14.4.2 Wavelength Resolution of a Reflection Grating 416 14.5 Fabry-Pérot Etalon 417 14.5.1 General Description and Fundamental Terms 417 14.5.2 The Etalon as an Optical Filter 419 14.5.3 The Etalon as a Spectrometer 421 14.5.3.1 A Solid Etalon 421 14.5.3.2 A Scanning Etalon 422 14.5.4 Etalon Transmission of Incoherent Light 423 14.6 Brewster Window and a Brewster Plate 423 14.6.1 Snell’s Law and Fresnel Equations 423 14.6.2 Achieving Polarized Laser Emission 428 14.7 Loss Presentation in a Laser Cavity 429 Exercises for Chapter 14 430 15 Transverse Optical Modes and Crystal Optics 431 15.1 Preamble 431 15.2 Transverse Single-Mode Gaussian Beam 432 15.3 Transverse Multi-Mode Beams 435 15.4 Selecting a Transverse Mode for a Laser Output 437 15.5 Lens Crossing of a Single-Mode Transverse Gaussian Beam 437 15.6 Multi-Mode Transverse Gaussian Beams 439 15.7 Crystal Optics 440 15.7.1 General Description 440 15.7.2 Uniaxial Crystals 441 15.7.3 Walk-Off 442 15.8 Retardation Plates 443 Exercises for Chapter 15 445 16 Pulsed High Power Lasers 447 16.1 Introduction 447 16.2 Passive Q-Switching Using a Saturable Light Absorber 447 16.2.1 Saturable Absorbers 447 16.2.1.1 Slow Saturable Absorber 449 16.2.1.2 Fast Saturable Absorber 450 16.2.1.3 Examples 451 16.2.2 Q-Switching Using a Saturable Absorber 455 16.3 Active Q-Switching Using Electrooptic Crystals 456 16.3.1 The Electrooptic Effect 456 16.3.2 Q-Switching Using an Electrooptic Crystal 461 16.4 Mode-Locking 462 Exercises for Chapter 16 466 17 Frequency Conversions of Laser Beams 469 17.1 Non-Linear Crystals 469 17.2 Electromagnetic Wave Propagation in a Non-Linear Crystal 475 17.2.1 Maxwell’s Equations 475 17.2.2 Overlapping Beams of Different Frequencies Propagating in the Same Direction 476 17.2.3 Frequency Doubling 477 17.3 Optical Parametric Oscillations 483 17.3.1 Forced Parametric Oscillations 483 17.3.2 Optical Parametric Amplification 485 17.3.3 Optical Parametric Oscillations Based Laser 488 17.4 A Reminder: Hyperbolic “Trigonometric” Functions 490 Exercises for Chapter 7 490 18 Examples of Various Laser Systems 493 18.1 Introduction 493 18.2 Helium-Neon Laser 493 18.3 Copper Vapor Laser 496 18.4 Hydrogen Fluoride Chemical Laser 499 18.5 Neodymium-YAG Laser 503 18.6 Dye Lasers 506 18.7 Diode Lasers 510 Exercises for Chapter 18 515 Appendix A Greek alphabet and phonetic names 517 Appendix B Table of physical constants 519 Appendix C Dirac δ function 521 Appendix D Literature references for further reading 523 Index 525

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Book SynopsisA comprehensive guide to the current research, major challenges, and future prospects of controlled drug delivery systems Controlled drug delivery has the potential to significantly improve therapeutic outcomes, increase clinical benefits, and enhance the safety of drugs in a wide range of diseases and health conditions. Fundamentals of Drug Delivery provides comprehensive and up-to-date coverage of the essential principles and processes of modern controlled drug delivery systems. Featuring contributions by respected researchers, clinicians, and pharmaceutical industry professionals, this edited volume reviews the latest research in the field and addresses the many issues central to the development of effective, controlled drug delivery. Divided in three parts, the book begins by introducing the concept of drug delivery and discussing both challenges and opportunities within the rapidly evolving field. The second section presents an in-depth critique of the common administration routeTable of ContentsPreface xvii List of Contributors xix Part I Product Design, the Essence of Effective Therapeutics 1 1 Challenges and Innovations of Controlled Drug Delivery 3 Heather A.E. Benson and Michael S. Roberts 1.1 Background 3 1.2 Parenteral Dosage Forms 3 1.2.1 Intravenous Route (IV) 4 1.2.2 Intramuscular Route (IM) 5 1.2.3 Subcutaneous Route (SC) 5 1.2.4 Other Parenteral Routes 5 1.3 Oral Route and Delivery Systems 6 1.4 Nasal Drug Delivery 6 1.5 Pulmonary Drug Delivery 7 1.6 Transdermal Drug Delivery 7 1.7 Ocular Drug Delivery 9 1.8 Drug Delivery System Development Process 11 1.9 Conclusion 12 References 12 2 Challenges in Design of Drug Delivery Systems 15 S. Narasimha Murthy, Shivakumar H.N, and Sarasija Suresh 2.1 Drug Properties to be Considered in Design of Controlled Release Products 19 2.2 Physicochemical Factors that Need to be Considered in Design of CRDDS 19 2.2.1 Dose Size 19 2.2.2 MolecularWeight/Size 19 2.2.3 Aqueous Solubility 21 2.2.4 Lipid Solubility and Partition Coefficient 25 2.2.5 Physicochemical Stability 26 2.3 Biopharmaceutical Properties that Deserve Consideration in Design of Controlled Release Products 26 2.3.1 Biological Half-life 26 2.3.2 Absorption 27 2.3.3 Metabolism 30 2.3.4 Presystemic Clearance 32 2.3.5 Margin of Safety 32 2.3.6 Adverse Effects 33 2.3.7 Therapeutic Need 33 2.3.8 Role of Circadian Rhythm 34 2.4 Conclusion 35 References 35 3 Drug Delivery of the Future (?) 39 Adrian Williams 3.1 Introduction 39 3.2 Therapeutic Indicators 40 3.3 Drugs of the Future 43 3.4 Delivering the Drugs of the Future 45 3.5 A View to the Longer Term? 47 3.6 Conclusion 50 References 50 4 The Pharmaceutical Drug Development Process: Selecting a Suitable Drug Candidate 37 Lionel Trottet 4.1 The Oral Drug Candidate: How to Get There and Questions to Answer 53 4.2 Challenges for Selecting a Topical Drug Candidate 55 4.3 Percutaneous Flux as a Surrogate Measurement of Skin Tissue Concentration 57 4.4 Learnings from Past Topical Drug Development of Factors Affecting Efficacy 58 4.5 Dermal Pharmacokinetics/Pharmacodynamics 62 4.6 Assessment of Systemic Exposure 63 4.7 Screening Cascade Approach to Select a Dermal Drug Candidate 64 4.7.1 Efficacy (Lack of Target Engagement) 64 4.7.2 Developability 65 4.7.3 Local Safety 65 4.7.4 Systemic Safety 65 4.8 Opportunities for Repurposing Molecules into Dermally Active Treatments for Cosmeceutical or Pharmaceutical Approaches 66 4.9 Conclusion 66 References 67 5 Preformulation and Physicochemical Characterization Underpinning the Development of Controlled Drug Delivery Systems 73 Ronak Savla and Julien Meissonnier 5.1 When Is a Controlled Drug Delivery System Needed? 73 5.2 Optimizing Drug Characteristics 74 5.3 Defining the Product Profile 75 5.4 Preformulation and Physicochemical Characterization Underpinning Development of CDD 77 5.4.1 Feasibility and Risk Assessment 78 5.4.2 Solubility and Dissolution Rate 79 5.4.3 Permeability 82 5.4.4 Drug and Drug Product Particle Sizes 83 5.4.5 Solid-State Chemistry 84 5.4.6 Stability 85 5.4.7 Excipient Compatibility 86 5.4.8 Bulk Powder Properties 87 5.4.9 Drug Metabolism and Pharmacokinetic Modeling 88 5.5 Conclusion 89 References 89 6 Mathematical Models Describing Kinetics Associated with Controlled Drug Delivery Across Membranes 95 Annette L. Bunge 6.1 Introduction 95 6.1.1 General Description 95 6.1.2 Governing Equations 98 6.1.3 Other Derived Quantities 100 6.1.4 Dimensionless Variables and Groups 102 6.2 Model Solutions 104 6.2.1 Type A Models –Well-Stirred Vehicle on One Membrane 104 6.2.2 Type B Models – Unstirred Semi-infinite Vehicle on One Membrane 140 6.2.3 Type C –Well Stirred Vehicle on Two Membranes in Series 145 6.3 Solution Methods 149 6.3.1 Separation of Variables Solutions 150 6.3.2 Laplace Transform Solutions 159 6.3.3 Useful Identities 169 References 169 7 Understanding Drug Delivery Outcomes: Progress in Microscopic Modeling of Skin Barrier Property, Permeation Pathway, Dermatopharmacokinetics, and Bioavailability 171 Guoping Lian, Tao Chen, Panayiotis Kattou, Senpei Yang, Lingyi Li, and Lujia Han 7.1 Introduction 171 7.2 Governing Equation 172 7.2.1 Homogenized Model 172 7.2.2 Microscopic Model 174 7.2.3 Numerical Methods 175 7.3 Input Parameters 176 7.3.1 SC Microstructure 176 7.3.2 SC Lipid–Water Partition 177 7.3.3 Diffusivity in SC Lipids 177 7.3.4 Binding to Keratin 179 7.3.5 Diffusivity in Corneocytes 181 7.3.6 Solute Diffusivity and Partition in Sebum 181 7.4 Application 183 7.4.1 Steady-State 183 7.4.2 Dermatopharmacokinetics 184 7.4.3 Systemic Pharmacokinetics 184 7.4.4 Shunt Pathway 185 7.5 Perspective 186 References 188 8 Role of Membrane Transporters in Drug Disposition 193 Hong Yang and Yan Shu 8.1 Introduction 193 8.2 Distribution of Major Drug Transporters in Human Tissues 194 8.2.1 Major Drug Transporters in the Intestine 194 8.2.1.3 Expression of Drug Transporters in Different Intestinal Regions 197 8.2.2 Major Drug Transporters in the Liver 197 8.2.3 Major Drug Transporters in the Kidney 199 8.2.4 Major Drug Transporters in the Central Nervous System (CNS) 201 8.2.5 Major Drug Transporters in Other Tissues 202 8.3 Role of Drug Transporters in Drug Disposition 205 8.3.1 Role of P-gp in Drug Disposition 206 8.3.2 Role of BCRP in Drug Disposition 207 8.3.3 Role of BSEP in Drug-Induced Cholestatic Liver Injury 214 8.3.4 Role of MRPs (MRP2, MRP3, and MRP4) in Drug Disposition 214 8.3.5 Role of OATPs (OATP1B1, OATP1B3, and OATP2B1) in Drug Disposition 215 8.3.6 Role of OATs (OAT1 and OAT3) in Drug Disposition 216 8.3.7 Role of OCTs (OCT1 and OCT2)/MATEs (MATE1 and MATE2-K) in Drug Disposition 217 8.4 Closing Remarks 218 References 219 Part II Challenges in Controlled Drug Delivery and Advanced Delivery Technologies 231 9 Advanced Drug Delivery Systems for Biologics 233 May Wenche Jøraholmen, Selenia Ternullo, Ann Mari Holsæter, Gøril Eide Flaten, and Nataša Škalko-Basnet 9.1 Introduction 233 9.2 Considerations in Biologics Product Development 234 9.2.1 Challenges Specific to the Route of Administration 234 9.2.2 Challenges Related to Parenteral Administration 234 9.2.3 Optimization of Dosage Regimens 234 9.3 Administration Routes for Biologics Delivery 235 9.3.1 Parenteral Route 235 9.3.2 Oral Route 236 9.3.3 Buccal Route 237 9.3.4 Sublingual Route 238 9.3.5 Pulmonary Route 238 9.3.6 Intranasal Route 239 9.3.7 Trans(dermal) Delivery 240 9.3.8 Dermal Delivery of Growth Hormones 243 9.3.9 Vaginal Route 247 9.4 Conclusion 251 References 251 10 Recent Advances in Cell-Mediated Drug Delivery Systems for Nanomedicine and Imaging 263 Li Li and Zhi Qi 10.1 Introduction 263 10.2 Cell Types and Modification for Therapeutic Agent Delivery 264 10.2.1 Cell Types 264 10.2.2 Cargo Loading Methods 269 10.3 Imaging and Tracking of Cell-Based Delivery Systems 270 10.3.1 MRI 271 10.3.2 PET 272 10.3.3 X-Ray Imaging 272 10.3.4 Multimodal Imaging Techniques 272 10.4 Cell-Mediated Drug Delivery Systems for Disease Treatment 272 10.4.1 Cancer Therapy 272 10.4.2 Immunotherapy 272 10.4.3 Brain-Related Diseases 274 10.4.4 Inflammatory Diseases 274 10.4.5 Theranostic Application 275 10.4.6 Others 275 10.5 The Mechanism of Cell-Mediated Delivery Systems for the Cell Therapies 275 10.5.1 Detoxification 276 10.5.2 Adhesive Mechanism 277 10.5.3 Homing Mechanism 278 10.6 The Administration Approach of Cell-Assist Drug Delivery System 278 10.7 Clinical Application of Cell-Based Delivery Systems 279 10.8 Conclusion and Outlook 279 References 280 11 Overcoming the Translational Gap – Nanotechnology in Dermal Drug Delivery 285 Christian Zoschke and Monika Schäfer-Korting 11.1 Nanotechnology – Failure or Future in Drug Delivery? 285 11.2 Identification of the Clinical Need 286 11.3 Nanoparticle Design and Physicochemical Characterization 289 11.4 Biomedical Studies 294 11.4.1 Atopic Dermatitis 294 11.4.2 Psoriasis 295 11.4.3 Ichthyosis 296 11.4.4 Wound Healing 297 11.4.5 Infections 297 11.4.6 Skin Cancer 298 11.4.7 Alopecia Areata 299 11.5 Approaches to Fill the Translational Gaps in Nanotechnology 299 References 303 12 Theranostic Nanoparticles for Imaging and Targeted Drug Delivery to the Liver 311 Haolu Wang, Haotian Yang, Qi Ruan, Michael S. Roberts, and Xiaowen Liang 12.1 Introduction 311 12.2 The Types of Theranostic NPs 312 12.2.1 Lipid- and Polymer-Based NPs 312 12.2.2 Mesoporous Silica NPs 312 12.2.3 Bio-nanocapsules 313 12.2.4 Iron Oxide NPs 313 12.3 Mechanisms of NPs Targeting the Liver 313 12.3.1 Passive Targeting to the Liver 313 12.3.2 Active Targeting to the Liver 314 12.3.3 Strategies for Combining Passive and Active Targeting 315 12.4 NPs in Liver Target Imaging 315 12.4.1 NP-Based Contrast Agents in Liver MRI 315 12.4.2 NP-Based Contrast Agents in Liver CT Imaging 316 12.4.3 NPs for Near-Infrared Fluorescence Imaging in Liver 316 12.5 NPs for Therapeutic and Drug Delivery in Liver Disease 316 12.5.1 NP Delivery System in HCC 316 12.5.2 NP Delivery System in Non-tumoral Liver Disease 318 12.6 Theranostic NPs in Liver Diseases 318 12.7 Conclusions 322 References 323 13 Toxicology and Safety of Nanoparticles in Drug Delivery System 329 Klintean Wunnapuk 13.1 Introduction 329 13.2 Lipid-Based Nanocarrier: Liposomes 329 13.3 Cellular Uptake Mechanism of Liposomes 330 13.4 Biodistribution, Clearance and Toxicity of Liposomes 331 13.4.1 Effect of Lipid Compositions on Liposome Distribution and Blood Circulation 331 13.4.2 Effect of Surface Charge on Liposome Distribution and Blood Circulation 333 13.4.3 Effect of Size on Liposome Distribution and Blood Circulation 333 13.5 Application of Liposomes in Drug Delivery 334 13.6 Inorganic Nanocarrier: Carbon Nanotubes 336 13.7 Cellular Uptake Mechanism of Carbon Nanotubes 337 13.8 Biodistribution, Clearance, and Toxicity of Carbon Nanotubes 337 13.9 Application of Carbon Nanotubes in Drug Delivery 342 13.10 Conclusion 342 References 342 Part III Administrative Routes for Controlled Drug Delivery 349 14 Controlled Drug Delivery via the Ocular Route 351 Peter W.J. Morrison and Vitaliy V. Khutoryanskiy 14.1 Introduction 351 14.2 Physiology of the Eye 352 14.2.1 Ocular Membranes; Conjunctiva, Cornea, and Sclera 353 14.2.2 Internal Ocular Structures 354 14.2.3 Anterior Chamber, Lens, and Vitreous Body 355 14.3 Ocular Disorders 355 14.3.1 Periocular Disorders 355 14.3.2 Intraocular Disorders 356 14.4 Controlled Drug Delivery Systems 357 14.4.1 Formulation Strategies 358 14.4.2 Mucoadhesive Systems 358 14.4.3 Solution to Gel In Situ Gelling Systems 359 14.4.4 Penetration Enhancers 361 14.4.5 Contact Lenses and Ocular Inserts 364 14.4.6 Intraocular Systems (Implants, Injectables, and Degradable Microparticles) 366 14.4.7 Phonophoresis and Ionophoresis 367 14.4.8 Topical Prodrugs 368 14.4.9 Microneedle Systems 368 14.5 Conclusions 369 References 370 15 Controlled Drug Delivery via the Otic Route 377 Jinsong Hao and S. Kevin Li 15.1 Introduction 377 15.2 Anatomy and Physiology of the Otic Route 377 15.2.1 Anatomy of the Otic Route 377 15.2.2 Barriers Relevant to Inner Ear Drug Delivery 378 15.3 Controlled Drug Delivery Systems 381 15.3.1 Intratympanic Administration 381 15.3.2 Trans-OvalWindow Administration 384 15.3.3 Intracochlear Administration 385 15.4 Conclusions 388 References 388 16 Controlled Drug Delivery via the Nasal Route 393 Barbara R. Conway and Muhammad U. Ghori 16.1 Introduction 393 16.2 Anatomy and Physiology of the Nose 393 16.3 Absorption from the Nasal Cavity 395 16.3.1 The Epithelial Barrier 395 16.3.2 Absorption 395 16.4 Mucus and Mucociliary Clearance 398 16.5 Drug Delivery Systems 399 16.5.1 Solutions and Suspensions 400 16.5.2 Mucoadhesive Polymers 401 16.5.3 The Nasal Route and the Blood–Brain Barrier 415 16.5.4 The Nasal Route for Vaccinations 419 16.5.5 In Vitro/in Vivo Models for Nasal Absorption 421 16.6 Conclusion 423 References 423 17 Controlled Drug Delivery via the Buccal and Sublingual Routes 433 Javier O. Morales, Parameswara R. Vuddanda, and Sitaram Velaga 17.1 Introduction 433 17.2 Buccal and Sublingual Physiology and Barriers to Drug Delivery 434 17.2.1 Saliva and Mucus 434 17.2.2 Buccal and Sublingual Epithelium and Permeation Barrier 434 17.3 Controlled Drug Delivery Systems 436 17.3.1 Tablets 436 17.3.2 Films 437 17.3.3 Gels, Ointments, and Liquid Formulations 438 17.3.4 Spray 438 17.3.5 Wafers 439 17.3.6 Lozenges 439 17.3.7 Advanced and Novel Drug Delivery Systems 439 17.4 Functional Excipients Used in Controlled Release Systems to Enhance Buccal and Sublingual Drug Bioavailability 440 17.4.1 Permeation Enhancers 440 17.4.2 Mucoadhesive Polymers 441 17.5 Conclusions 442 Acknowledgments 443 References 443 18 Controlled Drug Delivery via the Lung 449 María V. Ramírez-Rigo, Nazareth E. Ceschan, and Hugh D. C. Smyth 18.1 Introduction 449 18.2 The Relevant Physiology of the Route Including the Barriers to Drug Delivery 449 18.3 Controlled Drug Delivery Systems 451 18.3.1 Formulations 451 18.3.2 Devices 459 18.4 Conclusions 464 Acknowledgments 464 References 464 19 Controlled Drug Delivery via the Vaginal and Rectal Routes 471 José das Neves and Bruno Sarmento 19.1 Introduction 471 19.2 Biological Features of the Vagina and Colorectum 472 19.2.1 Vagina 472 19.2.2 Colorectum 473 19.3 Controlled Drug Delivery Systems 474 19.3.1 Vaginal Route 476 19.3.2 Rectal Route 489 19.4 Conclusions 494 Acknowledgments 494 References 494 20 Controlled Drug Delivery into and Through Skin 507 Adrian Williams 20.1 Introduction 507 20.1.1 Human Skin Structure and Function 507 20.1.2 Drug Transport Through Skin 512 20.2 Controlled Drug Delivery into and Through Skin 513 20.2.1 Skin Barrier Modulation 513 20.2.2 Controlled Release Transdermal and Topical Systems 515 20.2.2.5 Particles 520 20.2.3 Device-Based Controlled Delivery 522 20.3 Combination Approaches 528 20.4 Conclusions 528 References 529 Index 535

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Book SynopsisTable of ContentsContentsIntroduction Part One: Health Promotion Program FoundationsChapter 1- What are Health Promotion Programs?Chapter 2- Health Promotion, Equity, and Social JusticeChapter 3- Theory in Health Promotion Programs Part Two: Planning Health Promotion Programs Chapter 4- Assessing the Health Needs of a Defined Population Chapter 5- Making Decisions to Create and Support a Program Part Three: Implementing Health Promotion Programs Chapter 6- Implementation Tools, Program Staff, and Budgets Chapter 7- Advocacy Chapter 8- Communicating Health Information Effectively Chapter 9- Where Money Meets Mission: Developing, Increasing and Sustaining Program FundingPart Four: Evaluating and Sustaining Health PromotionChapter 10- Evaluating and Improving Health Promotion Programs Chapter 11- Using Big Data for Action and Impact Chapter 12- Sustaining Health Promotion Programs Part Five: Health Promotion Programs in Diverse Settings Chapter 13- School Health Education: Promoting Health and Academic SuccessChapter 14- Promoting Health in Colleges and Universities Chapter 15- Patient-Centered Health Promotion Programs in HealthcareChapter 16- Health Promotion Programs in Workplace Settings Chapter 17- Promoting Community Health: Local Health Departments and Community Health Organizations Index

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Book SynopsisThe 105th volume in this series for organic chemists in academia and industry presents critical discussions of widely used organic reactions or particular phases of a reaction. The material is treated from a preparative viewpoint, with emphasis on limitations, interfering influences, effects of structure and the selection of experimental techniques. The work includes tables that contain all possible examples of the reaction under consideration. Detailed procedures illustrate the significant modifications of each method.Table of Contents1. Enantioselective Halofunctionalization of Alkenes 1Kumar D. Ashtekar, Arvind Jaganathan, Babak Borhan and Daniel C. Whitehead 2. Reactions of Diboron Reagents with Unsaturated Compounds 267Elena Fernández and Ana B. Cuenca 3. The Matteson Reaction 427Donald S. Matteson, Beatrice S. L. Collins, Varinder K. Aggarwal and Engelbert Ciganek Cumulative Chapter Titles by Volume 861 Author Index, Volumes 1–105 881 Chapter and Topic Index, Volumes 1–105 889

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Book SynopsisAIR POLLUTION, CLEAN ENERGY AND CLIMATE CHANGE Anthropogenic climate change is a globally recognized threat multiplier. Yet, decades of intergovernmental negotiations have failed to curb toxic levels of fossil fuel energy-related air pollution which the World Health Organization (WHO) has identified as the world's largest, single environmental health risk. Lying in plain view are the troubling truths about the morbidity and ill-health burdens associated with anthropogenic climate change that are borne by those who have done the least to contribute to per capita emissions of greenhouse gas emissions. Ignoring the nexus between air pollution, lack of access to clean energy and climate adversities represents a collective failure of the UN's ambitious, universally agreed upon 2030 Sustainable Development Agenda (SDA) which pledged 'to leave no one behind'. This book highlights the air pollution crisis that emanates from the heavy reliance on polluting forms of energy and the urbanization oTable of ContentsPreface CHAPTER 1: DESTROYING LIVES AND EVIDENCED IN PLAIN SIGHT: The intertwined crises of climate change, lack of access to clean energy and air pollution CHAPTER 2: IDENTIFYING THE LOCUS FOR GLOBAL ACTION ON CLEAN ENERGY AND CLIMATE CHANGE WITHIN THE UN: Confronting Segregated Global Goals and Partnership Silos CHAPTER 3: LOOKING BEYOND THE GLOBAL CLIMATE CHANGE NEGOTIATIONS SILO: Examining UN climate change outcomes for linked action on clean air and clean energy for all. CHAPTER 4: ON THE FRONTLINES FOR CLEAN AIR AND CLIMATE ACTION: Role of Cities and India in Mitigating PM Pollution CHAPTER 5: THE URGENCY OF CURBING BC EMISSIONS CHAPTER 6: RE-FRAMING THE URGENCY OF LINKED ACTION ON AIR POLLUTION AND CLIMATE: Time to stop knuckle-dragging, break global policy silos and spur NNSAs to lean in. Index

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Book SynopsisAn essential companion for catalysis researchers and professionals studying economically viable and eco-friendly catalytic strategies for energy conversion In the two-volume Heterogeneous Nanocatalysis for Energy and Environmental Sustainability, a team of distinguished researchers deliver a comprehensive discussion of fundamental concepts in, and practical applications of, heterogeneous nanocatalysis for alternative energy production, biomass conversion, solar energy, green fuels, H2 production, fuel cells, electrochemical energy conversion processes, CO2 conversion, clean water, and environmental protection. The volumes cover the design and catalytic performance of various nanocatalysts, including nanosized metals and metal oxides, supported metal nanoparticles, inverse oxide-metal nanocatalysts, core-shell nanocatalysts, nanoporous zeolites, nanocarbon composites, and metal oxides in confined spaces. Each chapter contains a criticTable of Contents1. Factors Intervening in Oxide and Oxide- Composite Supports on Nanocatalysts in the Energy Conversion 2. Nanocatalysis for Renewable Aromatics 3. Synthesis, Characterization and Applications of solid-based heterogenous Nanocatalysts in the production of Biodiesel 4. Hybrid Electrocatalysts with Oxide/Oxide and Oxide/Hydroxide Interfaces for Oxygen Electrode Reactions 5. Photocatalytic water splitting 6. 2D Transition Metal Carbides (MXenes) for Applications in Electrocatalysis 7. Electrochemical oxygen reduction reaction using noble metal-based nanocatalysts 8. Morphology- and Size- Selective Pd- Based Electrocatalyst for Fuel Cell Reactions 9. Nanocatalysis of prussian blue analogues for water oxidation 10. Confined nanoparticles for catalytic CO2 hydrogenation 11. Nanosized Catalysts for Olefins Production 12. Heterogenous nano catalysis in VLPC for C-C or C-hetero atom bond formation 13. Metal nanoparticles-catalyzed hydrogen generation from ammonia borane

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Book SynopsisBIOENERGY RESEARCH Evaluates challenges and sustainable solutions associated with various biofuel technologiesBioenergy Research offers an authoritative guide to recent developments in green bioenergy technologies that are currently available including: bioethanol, biobutanol, biomethanol, bio-oil, biohydrogen, biogas and biomethane. The authors provide in-depth analysis and discuss the commercial viability of the various technological advances in bioenergy. Comprehensive in scope, the book explores the environmental, practical and economic implications associated with a variety of bioenergy options. The book also considers the rollback of fossil fuels, the cost and their replacement as well as practical solutions for these issues.This important resource: Presents up-to-date research and industrial developments for various bioenergy options Offers comparative evaluation of bioenergy technologies for commercial feasibility Reviews curTable of ContentsList of Contributors xiii Foreword xvii Acknowledgments xix Biofuels Production Technologies: Recent Advancement xxi 1 Role of Enzymes in Biofuel Production 1Ashok Kumar Yadav, Surabhi Pandey, Abhishek Dutt Tripathi and Veena Paul 1.1 Introduction 1 1.2 Biofuel Classification 2 1.3 Enzymes Role in Biofuels 3 1.4 Enzymatic Reaction 4 1.5 Enzyme Recovery and Reuse 4 1.6 Enzyme Immobilization 4 1.6.1 Adsorption on Physical Surface: Physical Adsorption 5 1.6.2 Ionic Bonding 5 1.6.3 Entanglement or Envelopment 6 1.6.4 Cross-Linkage 6 1.7 Unique Techniques of Enzyme Immobilization 6 1.8 Application of Various Enzymes in Biofuel Production 6 1.8.1 Amylases 6 1.8.2 Proteases 7 1.8.3 Dehydrogenases 7 1.8.4 Lipase 8 1.9 Biofuel Production Process 8 1.9.1 Bioethanol 8 1.9.2 Biohydrogen 11 1.9.3 Biomethane 11 1.9.4 Biodiesel 12 1.10 Production of Biodiesel by Enzymatic Catalysis 14 1.10.1 Batch Method 15 1.10.2 Continuous Stirred-Tank Method 15 1.10.3 Packed-Bed Columns 15 1.11 Future Prospects 16 1.12 Conclusion 16 References 17 2 Microbial Technology for Biofuel Production 19Spriha Raven, Sashita Bindu Ekka, Stephen Edward Chattree, Shivani Smita Sadanand, Lipi Rina and Archana Tiwari 2.1 Introduction 19 2.2 Microbial Biofuel 20 2.3 Microbial Pathway for Biofuel Production 21 2.3.1 Sugar Conversion to Alcohols/Glycolytic Pathway 21 2.3.2 Butanol Synthetic Pathway/ABE Pathway 21 2.3.3 2-Keto Acid Pathways for Alcohols 22 2.3.4 2-Keto Acid Pathway for Iso-Butanol 22 2.3.5 Protein into Alcohol 22 2.4 Algal Biofuel Production 22 2.4.1 Microalgal Cultivation 23 2.4.2 Microalgae Harvesting 25 2.4.3 Conversion Techniques for Algal Biofuel Production 25 2.4.3.1 Thermochemical Conversion 25 2.4.3.2 Biochemical Conversion 27 2.4.3.3 Transesterification (or Chemical Conversion) 28 2.4.3.4 Photosynthetic Microbial Fuel Cell 28 2.5 Bioethanol 28 2.6 Biodiesel 29 2.6.1 Stages of Biodiesel Production 31 2.6.1.1 Cultivation 31 2.6.1.2 Harvesting/Dewatering 32 2.6.1.3 Oil Extraction 32 2.6.1.4 Conversion 33 2.7 Biohydrogen 33 2.7.1 Stages of Biohydrogen Production 34 2.7.1.1 Biophotolysis 34 2.7.1.2 Photo Fermentation 36 2.7.1.3 Dark Fermentation 36 2.7.1.4 Two-Step Process (a Combination of Photo and Dark Fermentation) 37 2.8 Applications of Biofuel Production 38 2.8.1 In Aviation 39 2.8.2 Maritime Industry 39 2.8.3 Heat 39 2.8.4 Backup Systems 39 2.8.5 Cleaning Oil Spills 39 2.8.6 Microalgae Applications 39 2.9 Conclusion 40 References 40 3 Biohydrogen Production from Cellulosic Waste Biomass 47Enosh Phillips 3.1 Introduction 47 3.2 History of Hydrogen Fuel 48 3.3 Biohydrogen Fuel Cell 48 3.4 Cellulosic Biohydrogen Production from Waste Biomass 50 3.4.1 Biohydrogen Production from Wheat Straw and Wheat Bran 51 3.4.2 Biohydrogen Production from Corn Stalk 54 3.4.3 Biohydrogen from Rice Straw and Rice Bran 55 3.4.4 Biohydrogen Production from Food Waste 57 3.4.5 Biohydrogen from Bagasse 58 3.4.6 Biohydrogen Production from Mushroom CultivationWaste 60 3.4.7 Biohydrogen Production from Sweet Potato Starch Residue 61 3.4.8 Biohydrogen from De-Oiled Jatropha 61 3.4.9 Biohydrogen Production Banyan Leaves and Maize Leaves 62 3.5 Conclusion 62 References 64 4 Strategies for Obtaining Biofuels Through the Fermentation of C5-Raw Materials: Part 1 69Alexandre S. Santos, Lílian A. Pantoja, Mayara C. S. Barcelos, Kele A. C. Vespermann and Gustavo Molina 4.1 The Nature of Pentoses 69 4.2 Alcoholic Fermentation of C5 71 4.3 Lipid Biosynthesis from C5 79 4.4 Conclusion 82 References 82 5 Strategies for Obtaining Biofuels Through the Fermentation of C5-Raw Materials: Part 2 85Alexandre Soares dos Santos, Lílian Pantoja, Kele A. C. Vespermann, Mayara C. S. Barcelos and Gustavo Molina 5.1 Introduction 85 5.2 Ethanol Production Using C5-Fermenter Strain 86 5.2.1 Pentose-Fermenting Microorganisms 86 5.3 Microbial Lipid Production by C5-Fermenter Strains for Biofuel Advances 90 5.4 Concluding Remarks 96 References 96 6 An Overview of Microalgal Carotenoids: Advances in the Production and Its Impact on Sustainable Development 105Rahul Kumar Goswami, Komal Agrawal and Pradeep Verma 6.1 Introduction 105 6.1.1 Interaction and Understanding of Carotenoid 106 6.1.2 Differentiation between Natural or Chemically Synthesized Carotenoids 106 6.2 Diverse Category of Carotenoids 107 6.2.1 β-Carotene 107 6.2.2 Lutein 107 6.2.3 Astaxanthin 108 6.2.4 Canthaxanthin 108 6.3 Microalgae Prospects for the Production of Carotenoids 109 6.3.1 Bio-Formation of Carotenoids inside Microalgae/Carotenogenesis inside Microalgae Cells 110 6.3.2 Potent Microalgae Strain for Carotenoid Production 111 6.3.2.1 Haematococcus pluvialis 112 6.3.2.2 Dunaliella salina. 113 6.3.2.3 Other Microalgae Species Used for the Production of Carotenoids 113 6.3.3 Enhancement of Carotenoid Productivity by Optimizing Various Physiological Condition/Physiological Approaches for Enhancement of Carotenoid Production inside Microalga Cells 115 6.3.3.1 Role of Nutrient Deficient Stress for Carotenogenesis 115 6.3.3.2 Lights and Temperature Stress for Induction of Carotenogenesis 116 6.3.3.3 Role of Oxidative Stress in Carotenogenesis 116 6.3.3.4 Approaches which Enhance Carotenogenesis by Heterotrophic and Mixotrophic Cultivation of Microalgae 117 6.3.3.5 Cohesive Cultivation System in Microalgae for Enhancement of Carotenoid 117 6.3.4 Metabolic and Genetic Modification in Microalgae for Enhancement of Carotenoid Production 118 6.4 Significance of Carotenoid in Human Health 119 6.4.1 Anti-Inflammatory and Antioxidant Properties 119 6.4.2 Anticancerous Activity and their Potential of a Generation of an Immune Response 119 6.4.3 As Provitamin 121 6.4.4 Other Significance of Microalgae Carotenoids 121 6.5 Opportunities and Challenges in Carotenoid Production 121 6.6 Present Drifts and Future Prospects 122 6.7 Conclusion 123 References 123 7 Microbial Xylanases: A Helping Module for the Enzyme Biorefinery Platform 129Nisha Bhardwaj and Pradeep Verma 7.1 Introduction 129 7.2 Raw Material for Biorefinery 130 7.3 Structure of Lignocellulosic Plant Biomass 132 7.4 The Concept of Biorefinery 132 7.5 Role of Enzymes in Biorefinery 134 7.5.1 In Biological Pretreatment 134 7.5.2 In Enzymatic Hydrolysis 135 7.6 Enzyme Synergy: A Conceptual Strategy 136 7.7 Factors Affecting Biological Pretreatment 137 7.8 Advantages of Xylanases from Thermophilic Microorganisms in Biorefinery 138 7.9 The Products of Biorefinery 138 7.9.1 Bioethanol 138 7.9.2 Biobutanol 141 7.9.3 Hydrogen 142 7.10 Molecular Aspects of Enzymes in Biorefinery 142 7.11 Conclusion 143 References 143 8 Microbial Cellulolytic-Based Biofuel Production 153S.M. Bhatt 8.1 Introduction 153 8.2 Biofuel Classifications 153 8.2.1 Generations of Biofuel 153 8.2.2 Bioethanol Production Using Lignocellulose 154 8.2.2.1 Polymeric Lignocellulosic Composition 157 8.3 Bioprocessing of Bagasse for Bioethanol Production 157 8.3.1 Enzymatic Hydrolysis and Cellulose Structure 159 8.3.1.1 Cellulolytic Microbes 159 8.4 Microbial Cellulase 160 8.5 Mode of Economical Production of Enzyme 161 8.6 Structure of Cellulase 163 8.6.1 CBH1 Structure 164 8.6.2 Thermophilic Cellulase Enzyme 164 8.7 Family Classification 164 8.8 Consortia-Based Cellulase Production 165 8.9 Cellulase Production SSF Mode 165 8.10 Concluding Remarks 166 Declarations 166 Acknowledgment 166 References 166 9 Recent Developments of Bioethanol Production 175Arla Sai Kumar, Sana Siva Sankar, S K Godlaveeti, Dinesh Kumar, S Dheiver, Ram Prasad, Chandrasekhar Nb, Thi Hong Chuong Nguyen and Quyet Van Le 9.1 Introduction 175 9.2 Emerging Techniques in Bioethanol Production 178 9.3 Advancement in Distillation and Waste-Valorization Techniques 179 9.3.1 Heat Integrated Distillation 179 9.3.2 Membrane Technology 180 9.3.2.1 Membrane-Assisted Vapor Stripping 180 9.3.2.2 Combining Extractive and Azeotropic Distillation 180 9.3.2.3 Feed-Splitting 182 9.3.2.4 Ohmic-Assisted Hydro Distillation (OADH) 182 9.4 Green Extraction of Bioactive Products 182 9.4.1 Pulsed Electric Fields (PFE) 183 9.4.2 High-Voltage Electrical Discharges 184 9.4.3 Enzyme-Assisted Extraction 184 9.4.4 Ultrasound-Assisted Extraction 187 9.4.5 Microwave-Assisted Extraction 188 9.4.6 Subcritical Fluid Extraction 188 9.4.7 Ohmic-Assisted Extraction 188 9.5 Advancement in Bioethanol Production from Microalgae 188 9.5.1 Surface Methods 188 9.5.2 Ligno Celluloic Bio Ethanol Production 189 9.5.2.1 Membrane Technology 189 9.5.2.2 Microbial Technique 191 9.5.2.3 Brown Algae 191 9.5.2.4 Integrated Processes 191 9.5.2.5 Advances in Bioethanol Production from Agroindustrial Waste 192 9.6 Fermentation Technique Advances 192 9.6.1 Synthesis from Municipal Wastes 193 9.6.1.1 Waste Paper 193 9.6.1.2 Coffee Residue 194 9.6.1.3 Food Waste 194 9.6.1.4 Solid Waste 195 9.7 Conclusion 196 References 198 10 Algal Biofuels – Types and Production Technologies 209Sreedevi Sarsan and K. Vindhya Vasini Roy 10.1 Introduction 209 10.2 Algal Biofuels 210 10.3 Production of Algal Biofuels 211 10.3.1 Algae Cultivation Systems 211 10.3.1.1 Cultivation of Macroalgae 212 10.3.1.2 Cultivation of Microalgae 214 10.3.2 Harvesting of Algae 220 10.3.2.1 Harvesting of Macroalgae 220 10.3.2.2 Harvesting of Microalgae 220 10.3.3 Drying 222 10.3.4 Cell Disruption 222 10.3.5 Conversion into Biofuel 223 10.4 Types of Algal Biofuels 223 10.4.1 Biodiesel 224 10.4.2 Bioethanol 226 10.4.3 Biogas/Biomethane 228 10.4.4 Biomethanol 230 10.4.5 Biobutanol 230 10.4.6 Biohydrogen 230 10.4.7 Biosyngas 231 10.4.8 Green Diesel 231 10.5 Advantages of Algal Biofuels 232 10.5.1 Ease of Growth 232 10.5.2 Impact on Food 232 10.5.3 Environmental Impact 233 10.5.4 Algal by Products 234 10.5.5 Economic Benefits 234 10.6 Limitations 234 10.7 Conclusion 235 References 235 11 Biomethane Production and Advancement 245Rajeev Singh, P K Mishra, Neha Srivastava, Akshay Shrivastav and K R Srivastava 11.1 Introduction 245 11.1.1 Process Involved in Biomethane Production 247 11.1.2 Purification of Biogas for Methane Production 249 11.2 Advancement Undergoing in the Process of Methane Production 250 11.2.1 Adsorption by Pressure Swing 250 11.3 Adsorption Methods 251 11.4 Separation by Membrane 251 11.5 Cryogenic Separation 252 11.6 Biological Technique for Purification of Biogas 252 11.6.1 Advantage and Limitation of Biomethane Production 252 11.6.2 Conclusion 253 References 254 12 Biodiesel Production and Advancement from Diatom Algae 261Abhishek Saxena and Archana Tiwari 12.1 Introduction 261 12.2 Diatom Algae as a Source of Lipids 262 12.3 Biodiesel Production from Diatoms 265 12.4 Innovative Approaches toward Enhancement in Biodiesel Production and Challenges 267 12.5 Advancements in Diatoms-Based Biodiesel Production 269 12.6 Conclusion 270 Acknowledgments 272 References 272 13 Biobutanol Production and Advancement 279Enosh Phillips 13.1 Introduction 279 13.2 Biobutanol 279 13.3 ABE Process for Biobutanol Production 281 13.4 Biobutanol Production by ABE 282 13.5 Substrate Used in Biobutanol Production 283 13.6 Advancement in Pretreatment Method 284 13.7 Microbial Engineering for Production Enhancement 284 13.8 Conclusion 285 Acknowledgment 286 References 286 Index 291

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Book SynopsisTable of ContentsPreface xv 1 Introduction: Utility of Mathematical Models in Drug Development and Delivery 1Toufigh Gordi and Bret Berner 1.1 Introduction 1 1.2 Use of Mathematical Models in Drug Development 2 1.3 Noncompartmental Analysis 3 1.4 Pharmacokinetic (PK) Models 5 1.5 Physiologically Based Pharmacokinetic (PBPK) Models 7 1.6 Pharmacokinetic/Pharmacodynamic (PK/PD) Models 9 1.7 Systems Pharmacology Models 12 1.8 Utility of PK/PD Analysis and Models in Drug Development 14 1.8.1 Drug Delivery and PK/PD 26 1.8.2 Drug Properties and Mechanism of Release from the Dosage Form 27 1.8.2.1 Temporal Pattern of Delivery 30 1.9 Discussion 32 References 34 2 Physiologically Based Models: Techniques and Applications to Drug Delivery 43Richard N. Upton, Ashley M. Hopkins, Ahmad Y. Abuhelwa, Jim H. Hughes and David J.R. Foster 2.1 Introduction 43 2.2 Types of Pharmacokinetic Models 43 2.3 Commercial vs. Bespoke PBPK Models 45 2.4 Data Sources 46 2.5 Applications of PBPK Models 46 2.6 Techniques of PBPK Modeling 48 2.6.1 The “Language” of PBPK Models 48 2.6.2 Oral Absorption Models 49 2.6.3 Drug Metabolism and Drug–Drug Interactions 56 2.6.4 Drug Transporters 58 2.6.5 Renal Elimination 59 2.6.6 Protein Binding 59 2.6.7 Accounting for Size 61 2.6.8 Accounting for Age 63 2.6.9 Interspecies Scaling 64 2.6.10 Between-Subject Variability 65 2.6.11 Sensitivity Analysis 66 2.6.12 Pharmacodynamics 66 2.7 Summary 68 References 68 3 Oral Delivery and Pharmacokinetic Models 75Wojciech Krzyzanski 3.1 Introduction 75 3.2 Compartmental Models 76 3.2.1 First-Order Absorption 76 3.2.2 Zero-Order Absorption 78 3.2.3 Absorption Delay 78 3.2.4 Parallel Inputs 80 3.2.5 Discontinuous Absorption 81 3.2.6 Compartmental Absorption and Transit 81 3.2.7 Gastrointestinal Transit Time 82 3.2.8 Other Compartmental Models 82 3.3 Empirical Models 82 3.3.1 Gamma Model 83 3.3.2 Weibull Model 83 3.3.3 Inverse Gaussian Model 85 3.4 Physiologically Based Pharmacokinetic Models of Drug Absorption 85 3.4.1 Traditional and Segregated-Flow Models 86 3.5 Advanced PBPK Models 88 3.5.1 Advanced Compartmental Absorption and Transit Model 88 3.5.2 Advanced Dissolution Absorption and Metabolism Model 89 3.6 Intestinal First-pass Drug Metabolism 90 3.6.1 Well-stirred Gut Model 90 3.6.2 QGut Model 91 3.7 Spatiotemporal Models of Drug Absorption 91 3.7.1 Dispersion Model 92 3.7.2 Translocation Model 92 3.8 Conclusions 93 References 94 4 Oral Site-Directed Drug Delivery and Influence on PK 99Peter Scholes, Vanessa Zann, Wu Lin, Chris Roe and Bret Berner 4.1 Introduction 99 4.2 GI Anatomy and Physiology 99 4.2.1 Anatomy 100 4.2.2 Regional Variations in Physiology Affecting Drug Delivery 101 4.2.2.1 Fluid Volume and pH 101 4.2.2.2 Enzymes, GutWall Metabolism, Tissue Permeability, and Transporters 102 4.2.2.3 Gender and Age Effects 111 4.2.2.4 GI Transit 112 4.2.2.5 Effect of Food 114 4.2.2.6 Enterohepatic Circulation 115 4.3 Biopharmaceutics Classification System (BCS) 116 4.3.1 Background and Regulatory Perspectives 116 4.3.2 Determining a Solubility Class 119 4.3.3 Determining a Permeability Class 123 4.3.4 Determining Dissolution of the Drug Product 125 4.3.5 GI Stability 126 4.3.6 Applications and Limitations of BCS Classification 126 4.3.7 “Developability Classification System” 129 4.4 Applications and Limitations of Characterization and Predictive Tools 131 4.4.1 In Silico Tools: Predictive Models, Molecular Descriptors, and ADMET 131 4.4.2 In Vitro Tools 133 4.4.2.1 PAMPA 133 4.4.2.2 Cell Lines 135 4.4.3 Ex Vivo Tools 137 4.4.3.1 Ussing Chambers 137 4.4.3.2 Everted Intestinal Sac/Ring 140 4.4.4 In Situ Tools 142 4.4.4.1 Closed Loop Intestinal Perfusion 143 4.4.4.2 Single-Pass Intestinal Perfusion 143 4.4.4.3 Intestinal Perfusion with Venous Sampling 143 4.4.4.4 Vascularly Perfused Intestinal Models 144 4.4.4.5 Other Animal Models 144 4.4.5 In Vivo Tools 145 4.4.6 In Silico Tools for Prediction of PK and PK/PD 146 4.4.7 Preclinical PK Models 150 4.5 Tools to Probe Regional Bioavailability in Humans: Case Studies 151 4.5.1 Site-Specific Delivery Devices 151 4.5.2 Gamma Scintigraphic Imaging 157 4.5.3 Magnetic Resonance Imaging (MRI) 159 4.6 Rational Formulation Design and Effective Clinical Evaluation: Case Studies Describing How to Achieve Desired Release Modality and Target PK 160 4.6.1 Formulation Strategies to Address BCS Classification Challenges 160 4.6.1.1 Solubilization 160 4.6.1.2 Permeability Enhancement 168 4.6.1.3 Concluding Remarks on Strategies for BCS Challenges 170 4.6.2 Formulation Strategies for Chronotherapeutic and Regional GI Delivery for Local or Systemic Delivery 170 4.6.2.1 Gastric Retention 170 4.6.2.2 Enteric-Coated Dosage Forms and Delayed Release to the Small Intestine 182 4.6.2.3 Delivery to the Jejunum and Ileum 185 4.6.2.4 Colonic Delivery 186 4.7 Conclusions 191 References 191 5 The Vasoconstrictor Assay (VCA): Then and Now 221Isadore Kanfer and Howard Maibach 5.1 Introduction 221 5.1.1 Applications and Procedures 222 5.1.2 Visual Assessment 224 5.1.3 Chromameter Assessment 225 5.1.3.1 Comparison Between Visual and Chromameter Assessment 226 5.2 Issues and Controversies 228 5.2.1 Fitting of PD Response Data 228 5.2.2 Circadian Activity 229 5.2.3 BE Studies Performed Under Occlusion 230 5.2.4 Erythema Response at Application Sites 230 5.2.5 Use of VCA for Market Approval in the European Union 231 5.2.6 Potency Ranking of Topical Corticosteroid Products 232 5.2.7 Sensitive Region of the Dose–Response Curve 234 5.2.8 Correlation of ED50 with Potency Classification of a Product? 235 5.3 Conclusions 236 References 236 6 Topical Delivery: Toward an IVIVC 241Sam G. Raney and Thomas J. Franz 6.1 Introduction 241 6.2 In Vitro–In Vivo Correlation: Validating the Model of Topical Delivery 241 6.3 In Vitro–In Vivo Correlation: Transdermal Delivery 244 6.4 In Vitro–In Vivo Correlation: Bioavailability and Bioequivalence 245 6.5 Summary 250 Disclaimer 250 References 250 7 Integrated Transdermal Drug Delivery and Pharmacokinetics in Development 253Bret Berner and Gregory M. Kochak 7.1 Introduction 253 7.2 Fundamentals of Transdermal Delivery 254 7.2.1 Architecture of Skin 254 7.2.2 Skin Permeation and Transdermal Delivery 255 7.2.3 Basic Pharmacokinetics of Transdermal Delivery 262 7.3 In Vivo Assessment of Drug Input and Pharmacokinetic Disposition 266 7.3.1 Deconvolution 266 7.3.2 Convolution 267 7.3.3 Instability in Deconvolution 269 7.3.4 Generalized Input and Convolution 272 7.4 In Vitro Testing: Drug Release from Transdermal Systems 273 7.5 In Vitro/In Vivo Correlation 275 7.6 Clinical Safety and Efficacy Studies for Dermal Drug Development 280 7.6.1 Bioavailability and Bioequivalence 281 7.6.2 Skin Irritation and Sensitization Study 282 7.7 Dosage Form Proportionality Scaling and Dose Proportionality 283 7.7.1 Residual Content of the Dosage Form 283 7.7.2 Comparative Toxicity and Efficacy 283 7.8 Supporting In Vitro Studies 283 7.9 Safety Studies Related to Environmental Conditions Such as Heat and Storage Conditions 284 7.10 Active Transdermal Systems That Enhance Barrier Penetration 284 7.10.1 Microneedles 284 7.10.2 Thermal or Radio Frequency Ablation 287 7.10.3 Sonophoresis 288 7.10.4 Electrical 289 7.10.4.1 Electroporation 289 7.10.4.2 Iontophoresis 290 7.11 Conclusion 293 References 293 8 Formulation and Pharmacokinetic Challenges Associated with Targeted Pulmonary Drug Delivery 305Tomoyuki Okuda and Hak-Kim Chan 8.1 Progress on Formulations and Devices for Inhaled Drugs 305 8.2 Challenges for Inhaled Formulations 308 8.2.1 High-Dose Drugs and Amorphous Powders 308 8.2.2 Generic DPI Formulations 309 8.2.3 Biologics and Macromolecules 310 8.2.4 Controlled Release Formulations 310 8.3 Factors Determining the Fate of Inhaled Drugs in the Body 311 8.3.1 Anatomical and Histological Characteristics of the Respiratory System 311 8.3.2 Physicochemical Characteristics of Inhaled Drugs 312 8.4 Pharmacokinetic/Pharmacodynamic Correlation of Inhaled Drugs 314 8.4.1 Desirable Pharmacokinetic Parameters of Inhaled Drugs for Local Action and Systemic Delivery 314 8.4.2 Pharmacokinetic/Pharmacodynamic Correlation of Clinically Approved Inhaled Drugs 315 8.4.2.1 Corticosteroids and Bronchodilators 315 8.4.2.2 Antimicrobials 316 8.4.2.3 Prostacyclin Analogs 317 8.4.2.4 Loxapine 318 8.4.2.5 Insulin 318 8.5 Application of Drug Delivery System for Improving Pharmacokinetic/Pharmacodynamic Parameters of Inhaled Drugs 320 8.5.1 Chemical Modification 320 8.5.2 Functional Micro/Nanoparticle Formulations 321 8.5.3 Active Targeting 322 8.6 Conclusion 323 References 324 9 Oral Transmucosal Drug Delivery 333Mohammed Sattar and Majella E. Lane 9.1 Introduction 333 9.2 Structure and Physiology of the Oral Mucosa 334 9.2.1 Buccal Mucosa 334 9.2.2 Sublingual Mucosa 335 9.2.3 Gingiva and Palate 336 9.2.4 Saliva 336 9.2.5 Mucus 336 9.2.6 Permeation Routes 336 9.3 Drug Properties Which Influence OTMD 337 9.3.1 Molecular Weight 337 9.3.2 Lipid Solubility 338 9.3.3 Degree of Ionization 339 9.3.4 Potency 340 9.4 Buccal and Sublingual Formulations 340 9.4.1 Currently Used Technologies 340 9.4.2 Investigation of Iontophoresis for Oral Transmucosal Drug Delivery 342 9.5 Models to Study OTDD 342 9.5.1 Studies in Man and Human Tissue Models 342 9.5.2 Porcine Tissue Models 343 9.5.3 Dog, Monkey, and Rabbit Models 344 9.5.4 Chicken, Hamster, and Rat Models 345 9.5.5 Cell Culture Models 345 9.6 Feasibility of Systemic Delivery Based on In Vitro Permeation Studies 346 9.7 Conclusion 347 References 347 10 PK/PD and the Drug Delivery Regimen for Infusion in the Critical Care Setting 355Fekade B. Sime and Jason A. Roberts 10.1 Introduction 355 10.2 PK/PD Properties and the Mode of Infusional Drug Delivery for Antibiotics 356 10.3 Changes in PK/PD and Infusional Drug Delivery Regimens in Critically Ill Patients 357 10.4 Short Intermittent Infusions 359 10.5 Extended Infusions 360 10.6 Continuous Infusion 361 10.6.1 Continuous Infusion of β-Lactam Antibiotics 361 10.6.2 Continuous Infusion of Vancomycin 366 10.7 Conclusions 367 References 367 11 Virtual Experiment Methods for Integrating Pharmacokinetic, Pharmacodynamic, and Drug Delivery Mechanisms: Demonstrating Feasibility for Acetaminophen Hepatotoxicity 375Andrew K. Smith, Ryan C. Kennedy, Brenden K. Petersen, Glen E.P. Ropella and Carver Anthony Hunt 11.1 Introduction 375 11.1.1 Focus on Acetaminophen-Induced Liver Injury 376 11.2 Results 377 11.2.1 Engineering Parsimonious Fit for Purpose Virtual Mice 377 11.2.2 Concrete Lobule Location-Dependent Mechanisms 380 11.2.3 Falsifying Virtual Mechanisms 381 11.2.4 A Plausible Causal Cascade 383 11.2.5 Drug Delivery and a Therapeutic Intervention 385 11.3 Methods 386 11.3.1 Broad Requirements 386 11.3.2 Prediction 388 11.3.3 Iterative Refinement Protocol 388 11.3.4 Data Types, Reuse, and Sharing 390 11.3.5 Quality Assurance and Control 390 11.3.6 Building Mouse Analog Credibility 391 11.3.6.1 Validation 391 11.3.6.2 Verification 392 11.3.7 Liver and Lobular Form and Function 392 11.3.8 APAP Metabolism 393 11.3.9 PP-to-CV Gradients 394 11.3.10 GSH Depletion 394 11.3.11 Damage Products 395 11.3.12 Triggering Hepatocyte Death 395 11.3.13 Repair Events 395 11.3.14 Sensitivity Analyses and Uncertainty Quantification 396 11.3.15 Mouse Body 397 11.3.16 Death Delay 399 11.4 Discussion 399 References 402 12 Personalized Medicine: Drug Delivery and Pharmacokinetics 407Melanie A. Felmlee and Xiaoling Li 12.1 Personalized Medicine 407 12.2 Drug Delivery in Personalized Medicine 409 12.2.1 Delivery Approaches to Alter Dose 410 12.2.2 Delivery Approaches That Alter Pharmacokinetic Parameters 412 12.2.3 Targeted Delivery Approaches 413 12.3 Pharmacokinetic Analysis for Personalized Drug Delivery 414 12.3.1 Pharmacokinetic Analysis for Non-targeted Delivery Approaches 414 12.3.2 Pharmacokinetic Analysis for Targeted Delivery Approaches 416 12.4 Challenges and Opportunities in Personalized Drug Delivery 417 12.5 Conclusions 418 References 419 Index 423

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Book SynopsisProtein Homeostasis in Drug Discovery Comprehensive resource on all aspects of protein homeostasis, covering both historical perspectives and emerging technologies that are revolutionizing the field Protein Homeostasis in Drug Discovery highlights drug discovery and development efforts targeting protein homeostasis and considers the emerging appreciation that a protein's activity may not be the only factor to consider when developing therapeutic agents. The chapters cover various aspects of protein homeostasis such as cellular localization, abundance, interactions, and more. Moreover, the text contains up-to-date information regarding targeted protein degradation, an emerging drug discovery modality. Readers interested in targeting different regulatory events that control protein homeostasis or modulating protein abundance will find this book an excellent resource. Furthermore, those interested in the link between biological function and regulating prTable of ContentsList of Contributors ix Preface xv Section I Protein Folding and Quality Control in Drug Discovery 1 1 Epichaperomes as a Gateway to Understanding, Diagnosing, and Treating Disease Through Rebalancing Protein–Protein Interaction Networks 3Chander S. Digwal, Sahil Sharma, Anand R. Santhaseela, Stephen D. Ginsberg, and Gabriela Chiosis 2 Stability of Steroid Hormone Receptors: The Intersection of Proteostasis and Selective Degradation 27Zachary J. Gale-Day and Jason E. Gestwicki 3 Pharmacological Chaperones: Therapeutic Potential for Diseases Resulting from GPCR Misfolding 65Suli-Anne Laurin, Sajjad Ahrari, and Michel Bouvier Section II Protein Degradation and Clearance as Drug Targeting Opportunities 135 4 Exploiting the Proteasome for Disease Treatment: From Dynamic Architecture to Vast Functions 137Gwen R. Buel, Xiuxiu Lu, and Kylie J. Walters 5 Targeting the Ubiquitination Cascade for Drug Discovery 179Qi Liu, Gabriel LaPlante, and Wei Zhang 6 Understanding, Targeting, and Hijacking Autophagy 227Hongguang Xia, Xiaoyan Xu, Mengxin Zhou, Manke Zhang, and Lingzhi Ye 7 Deubiquitinating Enzymes: From Undruggable Targets to Emerging Opportunities 249Xiaoxi Liu, Laura Doherty, Alejandra Felix, and Sara Buhrlage Section III Redirecting Protein Degradation Processes for Drug Development 283 8 History of IMiDs and Protein Degradation as a Pharmacological Modality 285Junichi Yamamoto, Tomoko Asatsuma-Okumura, Takumi Ito, Yuki Yamaguchi, and Hiroshi Handa 9 PROTAC Degraders: Mechanism, Recent Advances, and Future Challenges 317Alessio Ciulli and Oliver Hsia 10 Biochemical Principles of Targeted Protein Degradation 357Roman V. Agafonov, Richard W. Deibler, William A. Elam, Joe S. Patel, and Stewart L. Fisher 11 Pharmacology of PROTAC Degrader Molecules: Optimizing for In Vivo Performance 385Andy Pike, Sofia Guzzetti, Pablo M. Morentin Gutierrez, and James S. Scott Section IV Emerging Technologies and Future Opportunities 419 12 Proximity-Inducing Bifunctional Molecules Beyond PROTACs 421Sophia Lai, Ashley E. Modell, and Amit Choudhary 13 Strategies for Tag-Based Protein Control 447Behnam Nabet, Nathanael S. Gray, and Fleur M. Ferguson 14 Targeted Protein Degradation in Antiviral Drug Discovery 465Mélissanne de Wispelaere and Priscilla L. Yang 15 Beyond Inhibition: Ligand-Based Pharmacological Exploration as a Strategy Toward New Targets and Modalities 491Milka Kostic and Lyn H. Jones Index 519

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Book SynopsisA comprehensive textbook on the foundational principles of plasmas, including material on advanced topics and related disciplines such as optics, fluid dynamics, and astrophysics Foundations of Plasma Physics for Physicists and Mathematicians covers the basic physics underlying plasmas and describes the methodology and techniques used in both plasma research and other disciplines such as optics and fluid mechanics. Designed to help readers develop physical understanding and mathematical competence in the subject, this rigorous textbook discusses the underlying theoretical foundations of plasma physics as well as a range of specific problems, focused on those principally associated with fusion. Reflective of the development of plasma physics, the text first introduces readers to the collective and collisional behaviors of plasma, the single particle model, wave propagation, the kinetic effects of gases and plasma, and other foundational concepts and principles. Subsequent chapters cover topics including the hydrodynamic limit of plasma, ideal magneto-hydrodynamics, waves in MHD plasmas, magnetically confined plasma, and waves in magnetized hot and cold plasma. Written by an acknowledged expert with more than five decades' active research experience in the field, this authoritative text: Identifies and emphasizes the similarities and differences between plasmas and fluidsDescribes the different types of interparticle forces that influence the collective behavior of plasmaDemonstrates and stresses the importance of coherent and collective effects in plasmaContains an introduction to interactions between laser beams and plasmaIncludes supplementary sections on the basic models of low temperature plasma and the theory of complex variables and Laplace transforms Foundations of Plasma Physics for Physicists and Mathematicians is the ideal textbook for advanced undergraduate and graduate students in plasma physics, and a valuable compendium for physicists working in plasma physics and fluid mechanics.Table of ContentsPreface xvii 1 Fundamental Plasma Parameters – Collective Behaviour 1 1.1 Introduction 1 1.2 Cold Plasma Waves 2 1.2.1 Wave Breaking 3 1.3 Debye Shielding 4 1.3.1 Weakly and Strongly Coupled Plasmas 6 1.3.2 The Plasma Parameter 7 1.4 Diffusion and Mobility 8 1.4.1 Einstein–Smoluchowski Relation 8 1.4.2 Ambipolar Diffusion 9 1.5 Wall Sheath 9 1.5.1 Positively Biased Wall 10 1.5.2 Free Fall Sheath 10 1.5.2.1 Pre-sheath 11 1.5.3 Mobility Limited Sheath 11 2 Fundamental Plasma Parameters – Collisional Behaviour 13 2.1 Electron Scattering by Ions 13 2.1.1 Binary Collisions – Rutherford Cross Section 13 2.1.2 Momentum Transfer Cross Section 15 2.1.2.1 Dynamical Friction and Diffusion 16 2.1.3 Many Body Collisions – Impulse Approximation 16 2.1.4 Relaxation Times 20 2.2 Collisional Transport Effects 21 2.2.1 Random Walk Model for Transport Effects 22 2.2.2 Maxwell’s Mean Free Path Model of Transport Phenomena 23 2.2.2.1 Flux Limitation 25 2.2.3 Drude Model of Electrical Conductivity 26 2.2.3.1 Alternating Electric Field, No Magnetic Field 27 2.2.3.2 Steady Electric Field, Finite Magnetic Field 27 2.2.3.3 Oscillatory Electric Field, Finite Magnetic Field 28 2.2.4 Diffusivity and Mobility in a Uniform Magnetic Field 29 2.3 Plasma Permittivity 30 2.3.1 Poynting’s Theorem – Energy Balance in an Electro-magnetic Field 31 2.4 Plasma as a Fluid – Two Fluid Model 32 2.4.1 Waves in Plasma 33 2.4.2 Beam Instabilities 36 2.4.2.1 Plasma Bunching 36 2.4.2.2 Two Stream Instability 36 2.4.3 Kinematics of Growing Waves 37 Appendix 2.A Momentum Transfer Collision Rate 39 Appendix 2.B The Central Limit Theorem 41 3 Single Particle Motion – Guiding Centre Model 43 3.1 Introduction 43 3.2 Motion in Stationary and Uniform Fields 44 3.2.1 Static Uniform Magnetic Field – Cyclotron Motion 44 3.2.2 Uniform Static Electric and Magnetic Fields 45 3.3 The Guiding Centre Approximation 45 3.3.1 The Method of Averaging 46 3.3.2 The Guiding Centre Model for Charged Particles 48 3.4 Particle Kinetic Energy 51 3.5 Motion in a Static Inhomogeneous Magnetic Field 52 3.5.1 Field Gradient Drift 53 3.5.2 Curvature Drift 53 3.5.3 Divergent Field Lines 55 3.5.4 Twisted Field Lines 55 3.6 Motion in a Time Varying Magnetic Field 56 3.7 Motion in a Time Varying Electric Field 56 3.8 Collisional Drift 58 3.9 Plasma Diamagnetism 58 3.10 Particle Trapping and Magnetic Mirrors 59 3.10.1 Fermi Acceleration 61 3.11 Adiabatic Invariance 61 3.12 Adiabatic Invariants of Charged Particle Motions 63 Appendix 3.A Northrop’s Expansion Procedure 64 3.A.1 Drift Velocity and Longitudinal Motion along the Field Lines 65 4 Kinetic Theory of Gases 67 4.1 Introduction 67 4.2 Phase Space 68 4.2.1 Γ Phase Space 68 4.2.1.1 Liouville’s Equation 69 4.2.2 𝜇Space 70 4.3 Relationship Between Γ Space and 𝜇Space 71 4.3.1 Integrals of the Liouville Equation 72 4.4 The BBGKY (Bogoliubov–Born–Green–Kirkwood–Yvon) Hierarchy 73 4.5 Bogoliubov’s Hypothesis for Dilute Gases 74 4.6 Derivation of the Boltzmann Collision Integral from the BBGKY Hierarchy 76 4.7 Boltzmann Collision Operator 78 4.7.1 Summation Invariants 79 4.8 Boltzmann’s H Theorem 79 4.9 The Equilibrium Maxwell–Boltzmann Distribution 80 4.9.1 Entropy and the H function 81 4.10 Hydrodynamic Limit – Method of Moments 81 4.10.1 Conservation of Mass 83 4.10.2 Conservation of Momentum 83 4.10.3 Conservation of Energy 84 4.11 The Departure from Steady Homogeneous Flow: The Chapman–Enskog Approximation 84 5 Wave Propagation in Inhomogeneous, Dispersive Media 89 5.1 Introduction 89 5.2 Basic Concepts of Wave Propagation – The Geometrical Optics Approximation 90 5.3 The WKB Approximation 92 5.3.1 Oblique Incidence 93 5.4 Singularities in Waves 93 5.4.1 Cut-off or Turning Point 94 5.4.2 Resonance Point 96 5.4.3 Resonance Layer and Collisional Damping 99 5.5 The Propagation of Energy 100 5.5.1 Group Velocity of Waves in Dispersive Media 100 5.5.2 Waves in Dispersive Isotropic Media 101 5.6 Group Velocity of Waves in Anisotropic Dispersive Media 102 5.6.1 Equivalence of Energy Transport Velocity and Group Velocity 106 Appendix 5.A Waves in Anisotropic Inhomogeneous Media 107 6 Kinetic Theory of Plasmas – Collisionless Models 111 6.1 Introduction 111 6.2 Vlasov Equation 111 6.3 Particle Trapping by a Potential Well 114 7 Kinetic Theory of Plasmas 121 7.1 Introduction 121 7.2 The Fokker–Planck Equation – The Stochastic Approach 122 7.2.1 The Scattering Integral for Coulomb Collisions 124 7.3 The Fokker–Planck Equation – The Landau Equation 128 7.3.1 Application to Collisions between Charged Particles 130 7.4 The Fokker–Planck Equation – The Cluster Expansion 131 7.4.1 The Balescu–Lenard Equation 132 7.5 Relaxation of a Distribution to the Equilibrium Form 135 7.5.1 Isotropic Distribution 135 7.5.2 Anisotropic Distribution 137 7.6 Ion–Electron Thermal Equilibration by Coulomb Collisions 139 7.7 Dynamical Friction 140 Appendix 7.A Reduction of the Boltzmann Equation to Fokker–Planck Form in the Weak Collision Limit 142 Appendix 7.B Finite Difference Algorithm for Integrating the Isotropic Fokker–Planck Equation 144 Appendix 7.C Monte Carlo Algorithm for Integrating the Fokker–Planck Equation 145 Appendix 7.D Landau’s Calculation of the Electron–Ion Equilibration Rate 147 8 The Hydrodynamic Limit for Plasma 149 8.1 Introduction – Individual Particle Fluid Equations 149 8.2 The Departure from Steady, Homogeneous Flow: The Transport Coefficients 150 8.3 Magneto-hydrodynamic Equations 151 8.3.1 Equation of Mass Conservation 151 8.3.2 Equation of Momentum Conservation 152 8.3.3 Virial Theorem 154 8.3.4 Equation of Current Flow 154 8.3.5 Equation of Energy Conservation 155 8.4 Transport Equations 156 8.4.1 Collision Times 157 8.4.2 Symmetry of the Transport Equations 158 8.5 Two Fluid MHD Equations – Braginskii Equations 161 8.5.1 Magnetic Field Equations 162 8.5.1.1 Energy Balance 164 8.6 Transport Coefficients 165 8.6.1 Collisional Dominated Plasma 165 8.6.1.1 Force Terms F 165 8.6.1.2 Energy Flux Terms 165 8.6.1.3 Viscosity 166 8.6.2 Field-Dominated Plasma 166 8.6.2.1 Force Terms F 166 8.6.2.2 Energy Flux Terms 167 8.6.2.3 Viscosity 168 8.7 Calculation of the Transport Coefficients 168 8.8 Lorentz Approximation 170 8.8.1 Electron–Electron Collisions 173 8.8.2 Electron Runaway 174 8.9 Deficiencies in the Spitzer/Braginskii Model of Transport Coefficients 177 Appendix 8.A BGK Model for the Calculation of Transport Coefficients 178 8.A.1 BGK Conductivity Model 178 8.A.2 BGK Viscosity Model 180 Appendix 8.B The Relationship Between the Flux Equations Given By Shkarofsky and Braginskii 181 Appendix 8.C Electrical Conductivity in a Weakly Ionised Gas and the Druyvesteyn Distribution 182 9 Ideal Magnetohydrodynamics 187 9.1 Infinite Conductivity MHD Flow 188 9.1.1 Frozen Field Condition 189 9.1.2 Adiabatic Equation of State 190 9.1.3 Pressure Balance 191 9.1.3.1 Virial Theorem 191 9.2 Incompressible Approximation 192 9.2.1 Bernoulli’s Equation – Steady Flow 192 9.2.2 Kelvin’s Theorem – Circulation 193 9.2.3 Alfvén Waves 193 10 Waves in MHD Fluids 197 10.1 Introduction 197 10.2 Magneto-sonic Waves 198 10.3 Discontinuities in Fluid Mechanics 203 10.3.1 Classical Fluids 203 10.3.2 Discontinuities in Magneto-hydrodynamic Fluids 204 10.4 The Rankine–Hugoniot Relations for MHD Flows 205 10.5 Discontinuities in MHD Flows 206 10.6 MHD Shock Waves 207 10.6.1 Simplifying Frame Transformations 207 10.7 Properties of MHD Shocks 208 10.7.1 Shock Hugoniot 208 10.7.2 Shock Adiabat – General Solution for a Polytropic Gas 209 10.8 Evolutionary Shocks 212 10.8.1 Evolutionary MHD Shock Waves 213 10.8.2 Parallel Shock – Magnetic Field Normal to the Shock Plane 214 10.9 Switch-on and Switch-off Shocks 216 10.10 Perpendicular Shock – Magnetic Field Lying in the Shock Plane 217 10.11 Shock Structure and Stability 218 Appendix 10.A Group Velocity of Magneto-sonic Waves 218 Appendix 10.B Solution in de Hoffman–Teller Frame 220 10.B.1 Parallel Shocks 222 11 Waves in Cold Magnetised Plasma 223 11.1 Introduction 223 11.2 Waves in Cold Plasma 223 11.2.1 Cut-off and Resonance 226 11.2.2 Polarisation 227 11.3 Cold Plasma Waves 227 11.3.1 Zero Applied Magnetic Field 227 11.3.2 Low Frequency Velocity Waves 228 11.3.3 Propagation of Waves Parallel to the Magnetic Field 229 11.3.4 Propagation of Waves Perpendicular to the Magnetic Field 232 11.3.5 Resonance in Plasma Waves 234 12 Waves in Magnetised Warm Plasma 237 12.1 The Dielectric Properties of Unmagnetised Warm Dilute Plasma 237 12.1.1 Plasma Dispersion Relation 238 12.1.1.1 Dispersion Relation for Transverse Waves 239 12.1.1.2 Dispersion Relation for Longitudinal Waves 239 12.1.2 Dielectric Constant of a Plasma 239 12.1.2.1 The Landau Contour Integration Around the Singularity 241 12.2 Transverse Waves 243 12.3 Longitudinal Waves 244 12.4 Linear Landau Damping 245 12.4.1 Resonant Energy Absorption 245 12.5 Non-linear Landau Damping 248 12.5.1 Particle Trapping 248 12.5.2 Plasma Wave Breaking 250 12.6 The Plasma Dispersion Function 252 12.7 Positive Ion Waves 256 12.7.1 Transverse Waves 256 12.7.2 Longitudinal Waves 256 12.7.2.1 Plasma Waves, 𝜁e > 1 257 12.7.2.2 Ion Waves 𝜁e < 1 257 12.8 Microscopic Plasma Instability 258 12.8.1 Nyquist Plot 259 12.8.1.1 Penrose’s Criterion 260 12.9 The Dielectric Properties of Warm Dilute Plasma in a Magnetic Field 262 12.9.1 Propagation Parallel to the Magnetic Field 269 12.9.2 Propagation Perpendicular to the Magnetic Field 270 Appendix 12.A Landau’s Solution of the Vlasov Equation 274 Appendix 12.B Electrostatic Waves 276 13 Properties of Electro-magnetic Waves in Plasma 281 13.1 Plasma Permittivity and the Dielectric Constant 281 13.1.1 The Properties of the Permittivity Matrix 284 13.2 Plane Waves in Homogeneous Plasma 286 13.2.1 Waves in Collisional Cold Plasma 287 13.2.1.1 Isotropic Unmagnetised Plasma 287 13.2.1.2 Anisotropic Magnetised Plasma 289 13.3 Plane Waves Incident Obliquely on a Refractive Index Gradient 290 13.3.1 Oblique Incidence at a Cut-off Point – Resonance Absorption 293 13.3.1.1 s Polarisation 293 13.3.1.2 p Polarisation 293 13.4 Single Particle Model of Electrons in an Electro-magnetic Field 295 13.4.1 Quiver Motion 295 13.4.2 Ponderomotive Force 297 13.4.3 The Impact Model for Collisional Absorption 298 13.4.3.1 Electron–Electron Collisions 301 13.4.4 Distribution Function of Electrons Subject to Inverse Bremsstrahlung Heating 301 13.5 Parametric Instabilities 305 13.5.1 Coupled Wave Interactions 305 13.5.1.1 Manley–Rowe Relations 306 13.5.1.2 Parametric Instability 307 13.5.2 Non-linear Laser-Plasma Absorption 308 13.5.2.1 Absorption Instabilities 309 13.5.2.2 Reflection Instabilities 310 Appendix 13.A Ponderomotive Force 310 14 Laser–Plasma Interaction 313 14.1 Introduction 313 14.2 The Classical Hydrodynamic Model of Laser-Solid Breakdown 314 14.2.1 Basic Parameters of Laser Breakdown 315 14.2.2 The General Theory of the Interaction of Lasers with Solid Targets 316 14.2.3 Distributed Heating – Low Intensity, Self-regulating Flow 318 14.2.3.1 Early Time Self-similar Solution 319 14.2.3.2 Late Time Steady-State Solution 319 14.2.4 Local Heating – High Intensity, Deflagration Flow 321 14.2.4.1 Early Time Thermal Front 321 14.2.4.2 Late Time Steady-State Flow 323 14.2.5 Additional Simple Analytic Models 324 14.2.5.1 Short Pulse Heating 324 14.2.5.2 Heating of Small Pellets – Homogeneous Self-similar Model 325 14.3 Simulation of Laser-Solid Target Interaction 325 Appendix 14.A Non-linear Diffusion 327 Appendix 14.B Self-similar Flows with Uniform Velocity Gradient 329 15 Magnetically Confined Plasma 337 15.1 Introduction 337 15.2 Equilibrium Plasma Configurations 337 15.3 Linear Devices 338 15.4 Toroidal Devices 340 15.4.1 Pressure Balance 341 15.4.1.1 Pressure Imbalance Mitigation 342 15.4.2 Guiding Centre Drift 343 15.5 The General Problem: The Grad–Shafranov Equation 344 15.6 Boundary Conditions 345 15.7 Equilibrium Plasma Configurations 347 15.7.1 Perturbation Methods 348 15.7.2 Analytical Solutions of the Grad–Shafranov Equation 349 15.7.3 Numerical Solutions of the Grad–Shafranov Equation 350 15.8 Classical Magnetic Cross Field Diffusion 351 15.9 Trapped Particles and Banana Orbits 352 15.9.1 Collisionless Banana Regime (𝜈∗ ≪1) 354 15.9.1.1 Diffusion in the Banana Regime 355 15.9.1.2 Bootstrap Current (𝜈∗ ≪1) 355 15.9.2 Resistive Plasma Diffusion – Collisional Pfirsch–Schlüter Regime 356 15.9.2.1 Pfirsch–Schlüter Current (𝜈∗ ≫1) 357 15.9.2.2 Diffusion in the Pfirsch–Sclüter Regime 357 15.9.3 Plateau Regime 357 15.9.4 Diffusion in Tokamak Plasmas 358 Appendix 15.A Equilibrium Maintaining ‘Vertical’ Field 359 Appendix 15.B Perturbation Solution of the Grad–Shafranov Equation 360 Appendix 15.C Analytic Solutions of the Homogeneous Grad–Shafranov Equation 363 Appendix 15.D Guiding Centre Motion in a Twisted Circular Toroidal Plasma 364 Appendix 15.E The Pfirsch–Schlüter Regime 368 15.E.1 Diffusion in the Pfirsch–Schlüter Regime 369 16 Instability of an Equilibrium Confined Plasma 371 16.1 Introduction 371 16.2 Ideal MHD Instability 371 16.2.1 Linearised Stability Equations 371 16.2.2 Normal Mode Analysis – The Stability of a Cylindrical Plasma Column 375 16.2.3 m = 0 Sausage Instability 379 16.2.4 m = 1 Kink Instability 380 16.3 Potential Energy 381 16.4 Interchange Instabilities 382 Supplementary Material 387 M.1 Breakdown and Discharges in d.c. Electric Fields 387 M.1.1 Gas Breakdown and Paschen’s Law 387 M.1.2 Similarity and Proper Variables 388 M.1.3 Townsend’s First Coefficient 388 M.1.4 Townsend’s Breakdown Criterion 389 M.1.5 Paschen Curve and Paschen Minimum 389 M.1.6 Radial Profile of Glow Discharge 390 M.1.7 Collisional Ionisation Rate for Low Temperature Electrons 391 M.1.8 Radio Frequency and Microwave Discharges 392 M.2 Key Facts Governing Nuclear Fusion 393 M.2.1 Fusion Rate 393 M.2.2 Lawson’s Criterion 396 M.2.3 Triple Product 398 M.3 A Short Introduction to Functions of a Complex Variable 400 M.3.1 Cauchy–Riemann Relations 401 M.3.2 Harmonic Functions 402 M.3.3 Area Rule 402 M.3.4 Cauchy Integral Theorem 402 M.3.5 Morera’s Theorem 403 M.3.6 Analytic Continuation 403 M.3.7 Extension or Contraction of a Contour 404 M.3.8 Inclusion of Isolated Singularities 404 M.3.9 Cauchy Formula 404 M.3.9.1 Interior Domain 404 M.3.9.2 Exterior Domain 405 M.3.10 Treatment of Improper Integrals 405 M.3.11 Sokhotski–Plemelj Theorem 406 M.3.12 Improper Integral Along a Real Line 407 M.3.13 Taylor and Laurent Series 407 M.3.14 The Argument Principle 408 M.3.15 Estimation Lemma 408 M.3.16 Jordan’s Lemma 409 M.3.17 Conformal Mapping 409 M.4 Laplace Transform 410 M.4.1 Bromwich Contour 410 Problems 413 Bibliography 427 Index 437

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