Chemistry Books

Book SynopsisBasic Gas Chromatography, Third Edition provides a brief introduction to GC following the objectives for titles in this series. It should appeal to readers with varying levels of education and emphasizes a practical, applied approach to the subject. : This book provides a quick need-to-know introduction to gas chromatography; still the most widely used instrumental analysis technique, and is intended to assist new users in gaining understanding quickly and as a quick reference for experienced users. The new edition provides updated chapters that reflect changes in technology and methodology, especially sample preparation, detectors and multidimensional chromatography. The book also covers new detectors recently introduced and sample preparation methods that have become much more easily accessible since the previous edition.Table of ContentsPreface to the Third Edition xi Preface to the Second Edition xiii Preface to the First Edition xv Acknowledgments xvii 1 Introduction 1 A Brief History 1 Definitions 3 Overview: Advantages and Disadvantages 9 Instrumentation and Columns 12 References 14 2 Basic Concepts and Terms 15 Definitions, Terms, and Symbols 15 The Rate Theory 25 The Achievement of Separation 34 References 35 3 Instrument Overview 37 Carrier Gas 38 Flow Control and Measurement 39 Sample Inlets and Sampling Devices 42 Capillary Columns 46 Temperature Zones 47 Detectors 49 Data Systems 50 Reference 50 4 Capillary Columns 51 Types of Capillary Columns 51 Capillary Column Tubing 54 Advantages of Capillary Columns 55 Column Selection 57 Column Quality Testing: The Grob Test Mix 65 Special Troubleshooting Considerations for Capillary Columns 66 Guidelines for Selecting Capillary Columns 67 References 68 5 Stationary Phases 69 Selecting a Column 69 Common and Important Stationary Phases 81 Other Common Stationary Phases 83 References 86 6 Temperature Programming 87 Advantages and Disadvantages of TPGC 89 Requirements for TPGC 90 Example Temperature Programmed Chromatograms 91 Special Topics 96 References 98 7 Inlets 99 Inlet Fundamentals 99 Split Inlet 101 Splitless Inlet 104 On‐Column Inlet 106 Programmed Temperature Vaporizer (PTV) 107 Related Topics 108 References 111 8 Classical Detectors: FID, TCD, and ECD 113 Classification of Detectors 115 Common Detector Characteristics 117 Flame Ionization Detector (FID) 124 Thermal Conductivity Detector (TCD) 128 Electron Capture Detector (ECD) 131 Other Detectors 134 References 136 9 Qualitative and Quantitative Analysis 139 Qualitative Analysis 139 Quantitative Analysis 145 Statistics of Quantitative Calculations 145 Quantitative Analysis Methods 148 Summary 154 References 154 10 GC‐MS and Spectrometric Detectors 157 Gas Chromatography–Mass Spectrometry (GC‐MS) 158 Gas Chromatography–Mass Spectrometry–Mass Spectrometry (GC‐MS‐MS) 171 Gas Chromatography–Fourier Transform Infrared Spectrometry (GC‐FITR) 172 Gas Chromatography–Vacuum Ultraviolet (GC‐VUV) Spectrometry 172 References 174 11 Sampling Methods 177 Overview 177 Liquid–Liquid Extraction (LLE) 179 Solid–Liquid Extraction: Soxhlet Extraction and Accelerated Solvent Extraction (ASE) 182 Solid‐Phase Extraction 183 Liquid–Vapor or Solid–Vapor Extraction: Headspace Extraction 186 Solid-phase microextraction (SPME) 188 QuEChERS (Quick, Easy Cheap, Effective, Rugged, Safe) 192 Additional Techniques and Summary 193 References 194 12 Multidimensional Gas Chromatography 197 Overview 197 Fundamental Principles of Multidimensional Chromatography 198 Heart Cutting 202 Comprehensive Two‐Dimensional GC (GC×GC) 203 LC‐GC with Heart Cutting 206 Comprehensive LC×GC 206 References 208 13 Packed Column GC 211 Columns 211 Solid Supports and Stationary Phases 213 Liquid Stationary Phases 214 Solid Stationary Phases 215 Gas Analysis 218 Analysis of Other Inorganics 221 Inlets and Liquid Sampling for Packed Columns 221 Special Columns and Applications 222 References 224 14 Special Topics 225 Fast GC 225 Chiral Analysis by GC 228 Analysis of Nonvolatile Compounds 229 Pyrolysis 233 Inverse GC 233 Additional Theory 234 Activity Coefficients 236 References 238 15 Troubleshooting GC Systems 241 Preventing Problems 241 Troubleshooting Problems 243 Appendix A Acronyms, Symbols and Greek Symbols 251 Appendix B Some Internet Sites for Gas Chromatography 255 Appendix C Other Books On Gas Chromatography 257 Index 259

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Book SynopsisServes as a guide for seasoned researchers and students alike, who wish to learn about the cross-fertilization between biology and materials that is driving this emerging area of science This book covers the most relevant topics in basic research and those having potential technological applications for the field of biopolymer brushes. This area has experienced remarkable increase in development of practical applications in nanotechnology and biotechnology over the past decade. In view of the rapidly growing activity and interest in the field, this book covers the introductory features of polymer brushes and presents a unifying and stimulating overview of the theoretical aspects and emerging applications. It immerses readers in the historical perspective and the frontiers of research where our knowledge is increasing steadilyproviding them with a feeling of the enormous potential, the multiple applications, and the many up-and-coming trends behind the developmenTable of ContentsVolume 1 Preface xxi List of Contributors xxiii 1 Functionalization of Surfaces Using Polymer Brushes: An Overview of Techniques, Strategies, and Approaches 1Juan M. Giussi,M. Lorena Cortez,Waldemar A. Marmisoll´e, and Omar Azzaroni 1.1 Introduction: Fundamental Notions and Concepts 1 1.2 Preparation of Polymer Brushes on Solid Substrates 4 1.3 Preparation of Polymer Brushes by the “Grafting-To” Method 5 1.4 Polymer Brushes by the “Grafting-From” Method 9 1.4.1 Surface-Initiated Atom Transfer Radical Polymerization 9 1.4.2 Surface-Initiated Reversible-Addition Fragmentation Chain Transfer Polymerization 10 1.4.3 Surface-Initiated Nitroxide-Mediated Polymerization 13 1.4.4 Surface-Initiated Photoiniferter-Mediated Polymerization 13 1.4.5 Surface-Initiated Living Ring-Opening Polymerization 15 1.4.6 Surface-Initiated Ring-Opening Metathesis Polymerization 17 1.4.7 Surface-Initiated Anionic Polymerization 18 1.5 Conclusions 20 Acknowledgments 21 References 21 2 Polymer Brushes by AtomTransfer Radical Polymerization 29Guojun Xie, Amir Khabibullin, Joanna Pietrasik, Jiajun Yan, and KrzysztofMatyjaszewski 2.1 Structure of Brushes 29 2.2 Synthesis of Polymer Brushes 31 2.2.1 Grafting through 31 2.2.2 Grafting to 32 2.2.3 Grafting from 32 2.3 ATRP Fundamentals 33 2.4 Molecular Bottlebrushes by ATRP 38 2.4.1 Introduction 38 2.4.2 Star-Like Brushes 40 2.4.3 Blockwise Brushes 42 2.4.4 Brushes with Tunable Grafting Density 45 2.4.5 Brushes with Block Copolymer Side Chains 46 2.4.6 Functionalities and Properties of Brushes 50 2.5 ATRP and Flat Surfaces 55 2.5.1 Chemistry at Surface 55 2.5.2 Grafting Density 55 2.5.3 Architecture 56 2.5.4 Applications 57 2.6 ATRP and Nanoparticles 58 2.6.1 Chemistry 58 2.6.2 Architecture 59 2.6.3 Applications 61 2.7 ATRP and Concave Surfaces 63 2.8 ATRP and Templates 63 2.8.1 Templates from Networks 63 2.8.2 Templates from Brushes 64 2.9 Templates from Stars 65 2.10 Bio-Related Polymer Brushes 66 2.11 Stimuli-Responsive Polymer Brushes 74 2.11.1 Stimuli-Responsive Solutions 76 2.11.2 Stimuli-Responsive Surfaces 78 2.12 Conclusion 79 Acknowledgments 80 References 80 3 Polymer Brushes by Surface-Mediated RAFT Polymerization for Biological Functions 97Tuncer Caykara 3.1 Introduction 97 3.2 Polymer Brushes via the Surface-Initiated RAFT Polymerization Process 99 3.3 Polymer Brushes via the Interface-Mediated RAFT Polymerization Process 101 3.3.1 pH-Responsive Brushes 102 3.3.2 Temperature-Responsive Brushes 106 3.3.3 Polymer Brushes on Gold Surface 110 3.3.4 Polymer Brushes on Nanoparticles 114 3.3.5 Micropatterned Polymer Brushes 115 3.4 Summary 117 References 119 4 Electro-Induced Copper-Catalyzed Surface Modification with Monolayer and Polymer Brush 123Bin Li and Feng Zhou 4.1 Introduction 123 4.2 “Electro-Click” Chemistry 124 4.3 Electrochemically Induced Surface-Initiated Atom Transfer Radical Polymerization 129 4.4 Possible Combination of eATRP and “e-Click” Chemistry on Surface 136 4.5 Surface Functionality 136 4.6 Summary 137 Acknowledgments 138 References 138 5 Polymer Brushes on Flat and Curved Substrates:What Can be Learned fromMolecular Dynamics Simulations 141K. Binder, S.A. Egorov, and A.Milchev 5.1 Introduction 141 5.2 Molecular Dynamics Methods: A Short “Primer” 144 5.3 The Standard Bead Spring Model for Polymer Chains 148 5.4 Cylindrical and Spherical Polymer Brushes 150 5.5 Interaction of Brushes with Free Chains 152 5.6 Summary 153 Acknowledgments 156 References 157 6 Modeling of Chemical Equilibria in Polymer and Polyelectrolyte Brushes 161Rikkert J. Nap,Mario Tagliazucchi, Estefania Gonzalez Solveyra, Chun-lai Ren, Mark J. Uline, and Igal Szleifer 6.1 Introduction 161 6.2 Theoretical Approach 163 6.3 Applications of the Molecular Theory 177 6.3.1 Acid–Base Equilibrium in Polyelectrolyte Brushes 178 6.3.1.1 Effect of Salt Concentration and pH 178 6.3.1.2 Effect of Polymer Density and Geometry 184 6.3.2 Competition between Chemical Equilibria and Physical Interactions 186 6.3.2.1 Brushes of Strong Polyelectrolytes 186 6.3.2.2 Brushes ofWeak Polyelectrolytes: Self-Assembly in Charge-Regulating Systems 189 6.3.2.3 Redox-Active Polyelectrolyte Brushes 193 6.3.3 End-Tethered Single Stranded DNA in Aqueous Solutions 195 6.3.4 Ligand–Receptor Binding and Protein Adsorption to Polymer Brushes 201 6.3.5 Adsorption Equilibrium of Polymer Chains through Terminal Segments: Grafting-to Formation of Polymer Brushes 207 6.4 Summary and Conclusion 212 Acknowledgments 216 References 216 7 Brushes of Linear and Dendritically Branched Polyelectrolytes 223E. B. Zhulina, F. A. M. Leermakers, and O. V. Borisov 7.1 Introduction 223 7.2 Analytical SCF Theory of Brushes Formed by Linear and Branched Polyions 224 7.2.1 Dendron Architecture and System Parameters 225 7.2.2 Analytical SCF Formalism 226 7.3 Planar Brush of PE Dendrons with an Arbitrary Architecture 229 7.3.1 Asymptotic Dependences for Brush Thickness H 231 7.4 Planar Brush of Star-Like Polyelectrolytes 232 7.5 Threshold of Dendron Gaussian Elasticity 234 7.6 Scaling-Type Diagrams of States for Brushes of Linear and Branched Polyions 235 7.7 Numerical SF-SCF Model of Dendron Brush 236 7.8 Conclusions 238 References 239 8 Vapor Swelling of Hydrophilic Polymer Brushes 243Casey J. Galvin and Jan Genzer 8.1 Introduction 243 8.2 Experimental 245 8.2.1 General Methods 245 8.2.2 Synthesis of Poly((2-dimethylamino)ethyl methacrylate) Brushes with a Gradient in Grafting Density 245 8.2.3 Synthesis of Poly(2-(diethylamino)ethyl methacrylate) Brushes 245 8.2.4 Chemical Modification of Poly((2-dimethylamino)ethyl methacrylate) Brushes 246 8.2.5 Bulk Synthesis of PDMAEMA 246 8.2.6 Preparation of Spuncast PDMAEMA Films 246 8.2.7 Chemical Modification of Spuncast PDMAEMA Film 247 8.2.8 Spectroscopic EllipsometryMeasurements under Controlled Humidity Conditions 247 8.2.9 Spectroscopic EllipsometryMeasurements of Alcohol Exposure 247 8.2.10 Fitting Spectroscopic Ellipsometry Data 248 8.2.11 Infrared Variable Angle Spectroscopic Ellipsometry 248 8.3 Results and Discussion 248 8.3.1 Comparing Polymer Brush and Spuncast Polymer Film Swelling 250 8.3.2 Influence of Side Chain Chemistry on Polymer Brush Vapor Swelling 252 8.3.3 Influence of Solvent Vapor Chemistry on Polymer Brush Vapor Swelling 256 8.3.4 Influence of Grafting Density on Polymer Brush Vapor Swelling 259 8.4 Conclusion 262 8.A.1 Appendix 263 8.A.1.1 Mole Fraction Calculation 263 8.A.1.2 Water Cluster Number Calculation 264 Acknowledgments 265 References 265 9 Temperature Dependence of the Swelling and Surface Wettability of Dense Polymer Brushes 267Pengyu Zhuang, Ali Dirani, Karine Glinel, and AlainM. Jonas 9.1 Introduction 267 9.2 The Swelling Coefficient of a Polymer Brush Mirrors Its Volume Hydrophilicity 269 9.3 The Cosine of the Contact Angle ofWater on aWater-Equilibrated Polymer Brush Defines Its Surface Hydrophilicity 270 9.4 Case Study: Temperature-Dependent Surface hydrophilicity of Dense PNIPAM Brushes 272 9.5 Case Study: Temperature-Dependent Swelling and Volume Hydrophilicity of Dense PNIPAMBrushes 274 9.6 Thermoresponsive Poly(oligo(ethylene oxide)methacrylate) Copolymer Brushes: Versatile Functional Alternatives to PNIPAM 277 9.7 Surface and Volume Hydrophilicity of Nonthermoresponsive Poly(oligo(ethylene oxide)methacrylate) Copolymer Brushes 279 9.8 Conclusions 282 Acknowledgments 283 References 283 10 Functional Biointerfaces Tailored by “Grafting-To”Brushes 287Eva Bittrich, Manfred Stamm, and Petra Uhlmann 10.1 Introduction 287 10.2 Part I: Polymer Brush Architectures 288 10.2.1 Design of Physicochemical Interfaces by Polymer Brushes 288 10.2.1.1 Stimuli-Responsive Homopolymer Brushes 288 10.2.1.2 Combination of Responses Using Mixed Polymer Brushes 290 10.2.1.3 Stimuli-Responsive Gradient Brushes 293 10.2.2 Modification of Polymer Brushes by Click Chemistry 293 10.2.2.1 Definition of Click Chemistry 293 10.2.2.2 Modification of End Groups of Grafted PNIPAAm Chains 295 10.2.3 Hybrid Brush Nanostructures 297 10.2.3.1 Nanoparticles Immobilized at Polymer Brushes 298 10.2.3.2 Sculptured Thin Films Grafted with Polymer Brushes 300 10.3 Part II: Actuating Biomolecule Interactions with Surfaces 303 10.3.1 Adsorption of Proteins to Polymer Brush Surfaces 303 10.3.1.1 Calculation of the Adsorbed Amount of Protein from Ellipsometric Experiments 305 10.3.1.2 Preventing Protein Adsorption 306 10.3.1.3 Adsorption at Polyelectrolyte Brushes 310 10.3.2 Polymer Brushes as Interfaces for Cell Adhesion and Interaction 313 10.3.2.1 Cell Adhesion on Stimuli-Responsive Polymer Surfaces Based on PNIPAAm Brushes 315 10.3.2.2 Growth Factors on Polymer Brushes 318 10.4 Conclusion and Outlook 320 Acknowledgments 321 References 321 11 Glycopolymer Brushes Presenting Sugars in Their Natural Form: Synthesis and Applications 333Kai Yu and Jayachandran N. Kizhakkedathu 11.1 Introduction and Background 333 11.2 Results and Discussion 334 11.2.1 Synthesis of Glycopolymer Brushes 334 11.2.1.1 Synthesis of N-Substituted Acrylamide Derivatives of Glycomonomers 334 11.2.1.2 Synthesis and Characterization of Glycopolymer Brushes on Gold Chip and SiliconWafer 334 11.2.1.3 Synthesis and Characterization of Glycopolymer Brushes on Polystyrene Particles 335 11.2.1.4 Synthesis and Characterization of Glycopolymer Brushes with Variation in the Composition of Carbohydrate Residues on SPR Chip 338 11.2.1.5 Preparation of Glycopolymer Brushes-Modified Particles with Different Grafting Density (Conformation) 338 11.2.2 Applications of Glycopolymer Brushes 341 11.2.2.1 Antithrombotic Surfaces Based on Glycopolymer Brushes 341 11.2.2.2 Glycopolymer Brushes Based Carbohydrate Arrays to Modulate Multivalent Protein Binding on Surfaces 345 11.2.2.3 Modulation of Innate Immune Response by the Conformation and Chemistry of Glycopolymer Brushes 351 11.3 Conclusions 356 Acknowledgments 357 References 357 12 Thermoresponsive Polymer Brushes for Thermally Modulated Cell Adhesion and Detachment 361Kenichi Nagase and Teruo Okano 12.1 Introduction 361 12.2 Thermoresponsive Polymer Hydrogel-Modified Surfaces for Cell Adhesion and Detachment 362 12.3 Thermoresponsive Polymer Brushes Prepared Using ATRP 363 12.4 Thermoresponsive Polymer Brushes Prepared by RAFT Polymerization 368 12.5 Conclusions 372 Acknowledgments 372 References 372 Volume 2 Preface xxi List of Contributors xxiii 13 Biomimetic Anchors for Antifouling Polymer Brush Coatings 377Dicky Pranantyo, Li Qun Xu, En-Tang Kang, Koon-Gee Neoh, and Serena Lay-Ming Teo 13.1 Introduction to Biofouling Management 377 13.2 Polymer Brushes for Surface Functionalization 378 13.3 Biomimetic Anchors for Antifouling Polymer Brushes 379 13.3.1 Mussel Adhesive-Inspired Dopamine Anchors 379 13.3.1.1 Antifouling Polymer Brushes Prepared via the “Grafting-To” Approach on (poly)Dopamine Anchor 383 13.3.1.2 Antifouling Polymer Brushes Prepared via the “Grafting-From” Approach on (poly)Dopamine Anchor 386 13.3.1.3 Direct Grafting of Antifouling Polymer Brushes Containing Anchorable Dopamine-Derived Functionalities 389 13.3.2 (Poly)phenolic Anchors for Antifouling Polymer Brushes 391 13.3.3 Biomolecular Anchors for Antifouling Polymer Brushes 393 13.4 Barnacle Cement as Anchor for Antifouling Polymer Brushes 397 13.5 Conclusion and Outlooks 399 References 400 14 Protein Adsorption Process Based on Molecular Interactions at Well-Defined Polymer Brush Surfaces 405Sho Sakata, Yuuki Inoue, and Kazuhiko Ishihara 14.1 Introduction 405 14.2 Utility of Polymer Brush Layers as Highly Controllable Polymer Surfaces 406 14.3 Performance of Polymer Brush Surfaces as Antifouling Biointerfaces 408 14.4 Elucidation of Protein Adsorption Based on Molecular Interaction Forces 412 14.5 Concluding Remarks 416 References 417 15 Are Lubricious Polymer Brushes Antifouling? Are Antifouling Polymer Brushes Lubricious? 421Edmondo M. Benetti and Nicholas D. Spencer 15.1 Introduction 421 15.2 Poly(ethylene glycol) Brushes 422 15.3 Beyond Simple PEG Brushes 424 15.4 Conclusion 429 References 429 16 Biofunctionalized Brush Surfaces for Biomolecular Sensing 433Shuaidi Zhang and Vladimir V. Tsukruk 16.1 Introduction 433 16.2 Biorecognition Units 435 16.2.1 Antibodies 435 16.2.2 Antibody Fragments 435 16.2.3 Aptamers 437 16.2.4 Peptide Aptamers 438 16.2.5 Enzymes 438 16.2.6 Peptide Nucleic Acid, Lectin, and Molecular Imprinted Polymers 439 16.3 Immobilization Strategy 439 16.3.1 Through Direct Covalent Linkage 440 16.3.1.1 Thiolated Aptamers on Noble Metal 440 16.3.1.2 General Activated Surface Chemistry 442 16.3.1.3 Diels–Alder Cycloaddition 444 16.3.1.4 Staudinger Ligation 444 16.3.1.5 1,3-Dipolar Cycloaddition 446 16.3.2 Through Affinity Tags 447 16.3.2.1 Biotin–Avidin/Streptavidin Pairing 447 16.3.2.2 NTA–Ni2+–Histidine Pairing 448 16.3.2.3 Protein A/Protein G – Fc Pairing 449 16.3.2.4 Oligonucleotide Hybridization 450 16.4 Microstructure and Morphology of Biobrush Layers 451 16.4.1 Grafting Density Control 451 16.4.2 Conformation and Orientation of Recognition Units 453 16.5 Transduction Schemes Based upon Grafted Biomolecules 462 16.5.1 Electrochemical-Based Sensors 462 16.5.2 Field Effect Transistor Based Sensors 463 16.5.3 SPR-Based Sensors 465 16.5.4 Photoluminescence-Based Sensors 466 16.5.5 SERS Sensors 468 16.5.6 Microcantilever Sensors 469 16.6 Conclusions 471 Acknowledgments 472 References 472 17 Phenylboronic Acid and Polymer Brushes: An Attractive Combination with Many Possibilities 479Solmaz Hajizadeh and Bo Mattiasson 17.1 Introduction: Polymer Brushes and Synthesis 479 17.2 Boronic Acid Brushes 481 17.3 Affinity Separation 483 17.4 Sensors 487 17.5 Biomedical Applications 492 17.6 Conclusions 494 References 494 18 Smart Surfaces Modified with Phenylboronic Acid Containing Polymer Brushes 497Hongliang Liu, ShutaoWang, and Lei Jiang 18.1 Introduction 497 18.2 Molecular Mechanism of PBA-Based Smart Surfaces 498 18.3 pH-Responsive Surfaces Modified with PBA Polymer Brush and Their Applications 501 18.4 Sugar-Responsive SurfacesModified with PBA Polymer Brush and Their Applications 503 18.5 PBA Polymer Brush–Based pH/Sugar Dual-Responsive OR Logic Gates and Their Applications 504 18.6 PBA Polymer Brush-Based pH/Sugar Dual-Responsive AND Logic Gates and Their Applications 506 18.7 PBA-Based Smart Systems beyond Polymer Brush and Their Applications 509 18.8 Conclusion and Perspective 511 References 512 19 Polymer Brushes andMicroorganisms 515Madeleine Ramstedt 19.1 Introduction 515 19.1.1 Societal Relevance for Surfaces Interacting with Microbes 515 19.1.2 Microorganisms 516 19.2 Brushes and Microbes 519 19.2.1 Adhesive Surfaces 529 19.2.2 Antifouling Surfaces 530 19.2.2.1 PEG-Based Brushes 531 19.2.2.2 Zwitterionic Brushes 533 19.2.2.3 Brush Density 533 19.2.2.4 Interactive Forces 535 19.2.2.5 Mechanical Interactions 537 19.2.3 Killing Surfaces 537 19.2.3.1 Antimicrobial Peptides 540 19.2.4 Brushes and Fungi 543 19.2.5 Brushes and Algae 546 19.3 Conclusions and Future Perspectives 549 Acknowledgments 551 References 552 20 Design of Polymer Brushes for Cell Culture and Cellular Delivery 557Danyang Li and Julien E. Gautrot Abbreviations 557 20.1 Introduction 559 20.2 Protein-Resistant Polymer Brushes for Tissue Engineering and In Vitro Assays 561 20.2.1 Design of Protein-Resistant Polymer Brushes 561 20.2.2 Cell-Resistant Polymer Brushes 565 20.2.3 Patterned Antifouling Brushes for the Development of Cell-Based Assays 567 20.3 Designing Brush Chemistry to Control Cell Adhesion and Proliferation 570 20.3.1 Polyelectrolyte Brushes for Cell Adhesion and Culture 570 20.3.2 Control of Surface Hydrophilicity 573 20.3.3 Surfaces with Controlled Stereochemistry 574 20.3.4 Switchable Brushes Displaying Responsive Behavior for Cell Harvesting and Detachment 576 20.4 Biofunctionalized Polymer Brushes to Regulate Cell Phenotype 581 20.4.1 Protein Coupling to Polymer Brushes to Control Cell Adhesion 581 20.4.2 Peptide-Functionalized Polymer Brushes to Regulate Cell Adhesion, Proliferation, Differentiation, and Migration 583 20.5 Polymer Brushes for Drug and Gene Delivery Applications 586 20.5.1 Polymer Brushes in Drug Delivery 586 20.5.2 Polymer Brushes in Gene Delivery 590 20.6 Summary 593 Acknowledgments 593 References 593 21 DNA Brushes: Self-Assembly, Physicochemical Properties, and Applications 605Ursula Koniges, Sade Ruffin, and Rastislav Levicky 21.1 Introduction 605 21.2 Applications 605 21.3 Preparation 607 21.4 Physicochemical Properties of DNA Brushes 610 21.5 Hybridization in DNA Brushes 613 21.6 Other Bioprocesses in DNA Brushes 618 21.7 Perspective 619 Acknowledgments 620 References 621 22 DNA Brushes: Advances in Synthesis and Applications 627Renpeng Gu, Lei Tang, Isao Aritome, and Stefan Zauscher 22.1 Introduction 627 22.2 Synthesis of DNA Brushes 628 22.2.1 Grafting-to Approaches 628 22.2.1.1 Immobilization on Gold Thin Films 628 22.2.1.2 Immobilization on Silicon-Based Substrates 632 22.2.2 Grafting-from Approaches 634 22.2.2.1 Surface-Initiated Enzymatic Polymerization 634 22.2.2.2 Surface-Initiated Rolling Circle Amplification 634 22.2.2.3 Surface-Initiated Hybridization Chain Reaction 634 22.2.3 Synthesis of DNA Brushes on Curved Surfaces 637 22.3 Properties and Applications of DNA Brushes 637 22.3.1 The Effect of DNA-Modifying Enzymes on the DNA Brush Structure 637 22.3.2 Stimulus-Responsive Conformational Changes of DNA Brushes 639 22.3.3 DNA Brush for Cell-Free Surface Protein Expression 643 22.3.4 DNA Brush-Modified Nanoparticles for Biomedical Applications 645 22.4 Conclusion and Outlook 649 References 649 23 Membrane Materials Form Polymer Brush Nanoparticles 655Erica Green, Emily Fullwood, Julieann Selden, and Ilya Zharov 23.1 Introduction 655 23.2 Colloidal Membranes Pore-Filled with Polymer Brushes 657 23.2.1 Preparation of Silica Colloidal Membranes 657 23.2.2 PAAM Brush-Filled Silica Colloidal Membranes 658 23.2.3 PDMAEMA Brush-Filled Silica Colloidal Membranes 659 23.2.4 PNIPAAM brush-filled silica colloidal membranes 664 23.2.5 Polyalanine Brush-Filled Silica Colloidal Membranes 666 23.2.6 PMMA Brush-Filled SiO2@Au Colloidal Membranes 670 23.2.7 Colloidal Membranes Filled with Polymers Brushes Carrying Chiral Groups 672 23.2.8 pSPM and pSSA Brush-Filled Colloidal Nanopores 673 23.3 Self-Assembled PBNPs Membranes 676 23.3.1 PDMAEMA/PSPM Membranes 676 23.3.2 PHEMA Membranes 678 23.3.3 pSPM and pSSA Membranes 680 23.4 Summary 683 References 683 24 Responsive Polymer Networks and Brushes for Active Plasmonics 687Nestor Gisbert Quilis, Nityanand Sharma, Stefan Fossati,Wolfgang Knoll, and Jakub Dostalek 24.1 Introduction 687 24.2 Tuning Spectrum of Surface Plasmon Modes 688 24.3 Polymers Used for Actuating of Plasmonic Structures 692 24.3.1 Temperature-Responsive Polymers 692 24.3.2 Optical Stimulus 694 24.3.3 Electrochemical Stimulus 695 24.3.4 Chemical Stimulus 696 24.4 Imprinted Thermoresponsive Hydrogel Nanopillars 697 24.5 Thermoresponsive Hydrogel Nanogratings Fabricated by UV Laser Interference Lithography 699 24.6 Electrochemically Responsive Hydrogel Microgratings Prepared by UV Photolithography 702 24.7 Conclusions 705 Acknowledgments 706 References 706 25 Polymer Brushes as Interfacial Materials for Soft Metal Conductors and Electronics 709Casey Yan and Zijian Zheng 25.1 Introduction 709 25.2 Mechanisms of Polymer-Assisted Metal Deposition 712 25.3 Role of Polymer Brushes 716 25.4 Selection Criterion of Polymer Brushes Enabling PAMD 716 25.5 Strategies to Fabricate Patterned Metal Conductors 717 25.6 PAMD on Different Substrates and Their Applications in Soft Electronics 720 25.6.1 On Textiles 720 25.6.2 On Plastic Thin films 721 25.6.3 On Elastomers 724 25.6.4 On Sponges 728 25.7 Conclusion, Prospects, and Challenges 731 References 732 26 Nanoarchitectonic Design of Complex Materials Using Polymer Brushes as Structural and Functional Units 735M. Lorena Cortez, Gisela D´ýaz,Waldemar A. Marmisoll´e, Juan M. Giussi, and Omar Azzaroni 26.1 Introduction 735 26.2 Nanoparticles at Spherical Polymer Brushes: Hierarchical Nanoarchitectonic Construction of Complex Functional Materials 736 26.3 Nanotube and Nanowire Forests Bearing Polymer Brushes 737 26.3.1 Polymer Brushes on Surfaces DisplayingMicrotopographical Hierarchical Arrays 738 26.3.2 Environmentally Responsive Electrospun Nanofibers 740 26.4 Fabrication of Free-Standing “Soft” Micro- and Nanoobjects Using Polymer Brushes 741 26.5 Solid-State Polymer Electrolytes Based on Polymer Brush–Modified Colloidal Crystals 743 26.6 Proton-Conducting Membranes with Enhanced Properties Using Polymer Brushes 745 26.7 Hybrid Architectures Combining Mesoporous Materials and Responsive Polymer Brushes: Gated Molecular Transport Systems and Controlled Delivery Vehicles 747 26.8 Ensembles of Metal NanoparticlesModified with Polymer Brushes 750 26.9 Conclusions 754 Acknowledgments 755 References 755 Index 759

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Book SynopsisThe 98th 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. The Saegusa Oxidation and Related Procedures 1Jean Le Bras and Jacques Muzart 2. The Asymmetric Vinylogous Mukaiyama Aldol Reaction 173Martin H. C. Cordes and Markus Kalesse Cumulative Chapter Titles by Volume 775 Author Index, Volumes 1–98 793 Chapter and Topic Index, Volumes 1–98 799

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Book SynopsisThe 99th 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. Addition of Non-Stabilized Carbon-Based Nucleophilic Reagents to Chiral N-Sulfinyl Imines 1 Melissa A. Herbage, Jolaine Savoie, Joshua D. Sieber, Jean-Nicolas Desrosiers, Yongda Zhang, Maurice A. Marsini, Keith R. Fandrick, Daniel Rivalti, and Chris H. Senanayake 2. Iridium-Catalyzed, Enantioselective, Allylic Alkylations with Carbon Nucleophiles 423 Jian-Ping Qu, Günter Helmchen, Ze-Peng Yang, Wei Zhang, and Shu-Li You Cumulative Chapter Titles by Volume 633 Author Index, Volumes 1–99 651 Chapter and Topic Index, Volumes 1–99 657

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Book SynopsisWritten by a who is who of leading organic chemists, this anniversary volume represent the Organic Reactions editors'' choice of the most important, ground-breaking and versatile reactions in current organic synthesis. The 15 reaction types selected for this volume include reactions for carbon-carbon bond formation, cross-coupling reactions, hydro- and halofunctionalizations, among many others. In line with the successful recipe of the series, each chapter is focused on a single reaction, discussing its mechanism and stereochemistry, scope and limitations, applications to synthesis, comparison with other methods, and experimental procedures. Each chapter concludes with a tabular survey of selected key application examples, complete with reported reaction conditions and yields, to serve as a quick reference guide for synthesis planning.Table of Contents1. The Negishi Cross-Coupling Reaction 1 Colin Diner and Michael G. Organ 2. Generation and Trapping of Functionalized Aryl- and Heteroarylmagnesium and -Zinc Compounds 63 Ferdinand H. Lutter, Maximilian S. Hofmayer, Jeffrey M. Hammann, Vladimir Malakhov, and Paul Knochel 3. Copper-Catalyzed, Enantioselective Hydrofunctionalization of Alkenes 121 Haoxuan Wang and Stephen L. Buchwald 4. The Catalytic, Enantioselective Favorskii Reaction: in Situ Formation of Metal Alkynylides and Their Additions to Aldehydes 207 Yeshua Sempere and Erick M. Carreira 5. Enantioselective Lithiation–Substitution of Nitrogen-Containing Heterocycles 255 Kevin Kasten, Nico Seling, and Peter O’Brien 6. Catalytic, Enantioselective, Transfer Hydrogenation 329 Masahiro Yoshimura and Masato Kitamura 7. Hydrofunctionalization of Alkenes by Hydrogen-Atom Transfer 383 Ryan A. Shenvi, Jeishla L. M. Matos, and Samantha A. Green 8. Carbon–Carbon Bond Formation by Metallaphotoredox Catalysis 471 Eric D. Nacsa and David W. C. MacMillan 9. Suzuki–Miyaura Cross-Coupling 547 Alexander B. Pagett and Guy C. Lloyd-Jones 10. ortho-Directed C–H Alkylation of Substituted Benzenes 621 Yusuke Ano and Naoto Chatani 11. Catalytic, Enantioselective, C–H Functionalization to Form Carbon–Carbon Bonds 671 Qing-Feng Wu, Gang Chen, Jian He, and Jin-Quan Yu 12. Catalytic, Enantioselective Fluorination Reactions 749 Richard T. Thornbury and F. Dean Toste 13. Catalyst-Controlled Glycosylation 801 Samuel M. Levi and Eric N. Jacobsen 14. Palladium-Catalyzed Amination of Aryl Halides 853 John F. Hartwig, Kevin H. Shaughnessy, Shashank Shekhar, and Rebecca A. Green 15. Catalytic, Enantioselective, Copper–Boryl Additions to Alkenes 959 Amir H. Hoveyda, Ming Joo Koh, Kyunga Lee, and Jaehee Lee Cumulative Chapter Titles by Volume 1057 Author Index, Volumes 1–100 1075 Chapter and Topic Index, Volumes 1–100 1083

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Book SynopsisGreen technologies are no longer the future of science, but the present. With more and more mature industries, such as the process industries, making large strides seemingly every single day, and more consumers demanding products created from green technologies, it is essential for any business in any industry to be familiar with the latest processes and technologies. It is all part of a global effort to go greener, and this is nowhere more apparent than in fermentation technology. This book describes relevant aspects of industrial-scale fermentation, an expanding area of activity, which already generates commercial values of over one third of a trillion US dollars annually, and which will most likely radically change the way we produce chemicals in the long-term future. From biofuels and bulk amino acids to monoclonal antibodies and stem cells, they all rely on mass suspension cultivation of cells in stirred bioreactors, which is the most widely used and versatile way to proTable of ContentsForeword xvii About the Editors xix List of Contributors xxi Preface xxv Acknowledgement xxvii 1 Introduction, Scope and Significance of Fermentation Technology 1 Saurabh Saran, Alok Malaviya and Asha Chaubey 1.1 Introduction 1 1.2 Background of Fermentation Technology 2 1.3 Market of Fermentation Products 3 1.4 Types of Fermentation 4 1.4.1 Solid State Fermentation (SSF) 4 1.4.2 Submerged Fermentation (SmF) 7 1.4.3 Solid State (SSF) vs. Submerged (SmF) Fermentation 9 1.5 Classification of Fermentation 9 1.6 Design and Parts of Fermentors 10 1.7 Types of Fermentor 15 1.7.1 Stirred Tank Fermentor 15 1.7.2 Airlift Fermentor 16 1.7.3 Bubble Column Fermentor 17 1.7.4 Fluidized Bed Fermentor 18 1.7.5 Packed Bed Fermentor 19 1.7.6 Photo Bioreactor 19 1.8 Industrial Applications of Fermentation Technology 21 1.9 Scope and Global Market of Fermentation Technology 22 1.10 Conclusions 23 References 24 2 Extraction of Bioactive Molecules through Fermentation and Enzymatic Assisted Technologies 27 Ramón Larios-Cruz, Liliana Londoño-Hernández, Ricardo Gómez-García, Ivanoe García, Leonardo Sepulveda, Raúl Rodríguez-Herrera and Cristóbal N. Aguilar 2.1 Introduction 27 2.2 Definition of Bioactives Compounds 29 2.2.1 Polyphenols and Polypeptides 29 2.2.2 Importance and Applications of Bioactive Compounds 29 2.2.3 Bioactive Peptides 31 2.3 Traditional Processes for Obtaining Bioactive Compounds 33 2.3.1 Soxhlet Extraction 33 2.3.2 Liquid-Liquid and Solid-Liquid Extraction 34 2.3.3 Maceration Extraction 35 2.4 Fermentation and Enzymatic Technologies for Obtaining Bioactive Compounds 35 2.4.1 Soft Chemistry in Bioactive Compounds 35 2.4.2 Biotransformation of Bioactive Compounds 36 2.4.3 Enzymatic and Fermentation Technologies 39 2.5 Use of Agroindustrial Waste in the Fermentation Process 45 2.5.1 Cereal Wastes 46 2.5.2 Fruit and Plant Waste 46 2.6 General Parameters in the Optimization of Fermentation Processes 49 2.6.1 Response Surface Methodology 49 2.6.2 First-Order Model 49 2.6.3 Second-Order Model 49 2.7 Final Comments 52 Acknowledgements 52 References 52 3 Antibiotics Against Gram Positive Bacteria 61 Rahul Vikram Singh, Hitesh Sharma, Anshela Koul and Vikash Babu 3.1 Introduction 61 3.2 Target of Antibiotics Against Gram Positive Bacteria 64 3.2.1 Cell Wall Synthesis Inhibition 65 3.2.2 Protein Synthesis Inhibition 70 3.2.3 DNA Synthesis Inhibition 72 3.3 Antibiotics Production Processes 72 3.4 Conclusion 75 References 76 4 Antibiotic Against Gram-Negative Bacteria 79 Maryam Faiyaz, Shikha Gupta and Divya Gupta 4.1 Introduction 79 4.2 Gram-Negative Bacteria and Antibiotics 80 4.2.1 β-Lactam Drugs 81 4.2.2 Macrolide 82 4.2.3 Aminoglycosides 84 4.2.4 Fluoroquinolones 84 4.3 Production of Antibiotics 85 4.3.1 Strain Development 85 4.3.2 Media Formulation and Optimization 88 4.3.3 Fermentation 90 4.3.4 Downstream Processing and Purification 92 4.3.5 Quality Control 95 4.4 Conclusion 95 References 96 5 Role of Antifungal Drugs in Combating Invasive Fungal Diseases 103 Kakoli Dutt 5.1 Introduction 103 5.2 Antifungal Agents 105 5.2.1 Azoles 114 5.2.2 Polyenes 115 5.2.3 Allylamine/Thiocarbonates 116 5.2.4 Other Antifungal Agents 117 5.3 Targets of Antifungal Agents 120 5.3.1 Cell Wall Biosynthesis Inhibitors 120 5.3.2 Sphingolipid Synthesis Inhibitors 123 5.3.3 Ergosterol Synthesis Inhibitors 125 5.3.4 Protein Synthesis Inhibitors 126 5.3.5 Novel Targets 128 5.4 Development of Resistance towards Antifungal Agents 130 5.4.1 Minimum Inhibitory Concentration 130 5.4.2 Antifungal-Drug-Resistance Mechanisms 131 5.5 Market and Drug Development 134 5.6 Conclusions 136 Acknowledgement 137 References 137 6 Current Update on Rapamycin Production and Its Potential Clinical Implications 145 Girijesh K. Patel, Ruchika Goyal1 and Syed M. Waheed 6.1 Introduction 145 6.2 Biosynthesis of Rapamycin 146 6.2.1 Microbial Strain 147 6.2.2 Optimization of Carbon, Nitrogen Sources and Salts 147 6.2.3 Strain Manipulation to Improve Rapamycin Production 148 6.3 Organic Synthesis of Rapamycin 152 6.4 Extraction and Quantification of Rapamycin 152 6.5 Physiological Factors Affecting Rapamycin Biosynthesis 153 6.5.1 Effect of Media Components 153 6.5.2 Effect of pH on Rapamycin Production 153 6.5.3 Effect of Physical Gravity 154 6.5.4 Effect of Morphological Changes 154 6.5.5 Effect of Dissolved Oxygen (DO) and Carbon Dioxide (DCO2) 154 6.6 Production of Rapamycin Analogs 154 6.7 Mechanism of Action of Rapamycin 155 6.8 Use of Rapamycin in Medicine 157 6.8.1 Anti-Fungal Agent 157 6.8.2 Immunosuppression 158 6.8.3 Anti-Cancer Agent 158 6.8.4 Anti-Aging Agent 158 6.8.5 Role in HIV Treatment 158 6.8.6 Rheumatoid Arthritis 159 6.9 Side Effects of Long-term Use of Rapamycin 159 6.10 Conclusions 159 Acknowledgements 160 References 160 7 Advances in Production of Therapeutic Monoclonal Antibodies 165 Richi V Mahajan, Subhash Chand, Mahendra Pal Singh, Apurwa Kestwal and Surinder Singh 7.1 Introduction 165 7.2 Discovery and Clinical Development 166 7.3 Structure and Classification 167 7.4 Nomenclature of Monoclonal Antibodies 168 7.5 Production of Monoclonal Antibodies 170 7.5.1 Hybridoma Technology 170 7.5.2 Epstein-Barr Virus Technology 172 7.5.3 Phage Display Technology 172 7.5.4 Cell Line Based Production Techniques 173 7.5.5 Chemical Modifications of Monoclonal Antibodies 183 7.5.6 Advances in Antibody Technology 183 7.6 Conclusions 185 References 186 8 Antimicrobial Peptides from Bacterial Origin: Potential Alternative to Conventional Antibiotics 193 Lipsy Chopra, Gurdeep Singh, Ramita Taggar, Akanksha Dwivedi, Jitender Nandal, Pradeep Kumar and Debendra K. Sahoo 8.1 Introduction 193 8.2 Classification of Bacteriocins 194 8.2.1 Bacteriocins from Gram-Negative Bacteria 194 8.2.2 Bacteriocins from Gram-Positive Bacteria 194 8.3 Mode of Action 196 8.3.1 Pore-Forming Bacteriocins 196 8.3.2 Non-Pore-Forming Bacteriocins: Intracellular Targets 198 8.4 Applications 198 8.4.1 Food Bio Preservative 198 8.4.2 Food Packaging (In Packaging Films) 198 8.4.3 Hurdle Technology to Enhance Food Safety 199 8.4.4 Therapeutic Potential 200 8.4.5 Effect of Bacteriocins on Biofilms 200 8.5 Conclusions 202 Acknowledgments 202 Abbreviations 202 References 202 9 Non-Ribosomal Peptide Synthetases: Nature’s Indispensable Drug Factories 205 Richa Sharma, Ravi S. Manhas and Asha Chaubey 9.1 Introduction 205 9.1.1 Non-Ribosomal Peptides as Natural Products 205 9.1.2 Non-Ribosomal Peptides as Drugs 206 9.2 NRPS Machinery 208 9.3 Catalytic Domains of NRPSs 208 9.3.1 Adenylation (A) Domains 208 9.3.2 Thiolation (T) or PCP Domains 209 9.3.3 Condensation (C) Domains 209 9.3.4 Thioesterase (Te) Domains 209 9.4 Types of NRPS 210 9.4.1 Type A (Linear NRPS) 210 9.4.2 Type B (Iterative NRPS) 210 9.4.3 Type C (Non-linear NRPS) 210 9.5 Working of NRPSs 210 9.5.1 Priming Thiolation Domain of NRPS 211 9.5.2 Substrate Recognition and Activation 211 9.5.3 Peptide Bond Formation between NRP Monomers 211 9.5.4 Chain Termination of NRP Synthesis 212 9.5.5 NRP Tailoring 212 9.6 Sources of NRPs 213 9.7 Production of Non-Ribosomal Peptides 216 9.8 Future Scope 218 Acknowledgements 219 References 219 10 Enzymes as Therapeutic Agents in Human Disease Management 225 Babbal, Adivitiya, Shilpa Mohanty and Yogender Pal Khasa 10.1 Introduction 225 10.2 Pancreatic Enzymes 230 10.2.1 Trypsin (EC 3.4.21.4) 230 10.2.2 Pancreatic Lipase (EC 3.1.1.3) 231 10.2.3 Amylases (EC 3.2.1.1) 231 10.3 Oncolytic Enzymes 232 10.3.1 L-Asparaginase (EC 3.5.1.1) 232 10.3.2 L-Glutaminase (EC 3.5.1.2) 233 10.3.3 Arginine Deiminase (ADI) (EC 3.5.3.6) 233 10.4 Antidiabetic Enzymes 234 10.4.1 Glucokinase (EC2.7.1.1) 10.5 Liver Enzymes 235 10.5.1 Superoxide Dismutase (SOD) (EC 1.15.1.1) 235 10.5.2 Alkaline Phosphatase (ALP) (EC 3.1.3.1) 236 10.6 Kidney Disorder 237 10.6.1 Uricase (EC 1.7.3.3) 237 10.6.2 Urease (EC 3.5.1.5) 238 10.7 DNA- and RNA-Based Enzymes 238 10.7.1 Dornase 239 10.7.2 Adenosine Deaminase 240 10.7.3 Ribonuclease 240 10.8 Enzymes for the Treatment of Cardiovascular Disorders 241 10.8.1 The Hemostatic System 242 10.8.2 Enzymes of the Hemostatic System 244 10.9 Lysosomal Storage Disorders 251 10.9.1 α-Galactosidase A (EC 3.2.1.22) 251 10.9.2 Glucocerebrosidase (EC 3.2.1.45) 252 10.9.3 Acid Alpha-Glucosidase (GAA) (EC 3.2.1.20) 253 10.9.4 α-L-iduronidase (Laronidase) (EC 3.2.1.76) 253 10.10 Miscellaneous Enzymes 254 10.10.1 Phenylalanine Hydroxylase (EC 1.14.16.1) 254 10.10.2 Collagenase (EC 3.4.24.3) 255 10.10.3 Hyaluronidase 256 10.10.4 Bromelain 256 10.11 Conclusions 256 References 257 11 Erythritol: A Sugar Substitute 265 Kanti N. Mihooliya, Jitender Nandal, Himanshu Verma and Debendra K. Sahoo 11.1 Introduction 265 11.1.1 Background of Erythritol 265 11.1.2 History of Erythritol 268 11.1.3 Occurrence of Erythritol 268 11.1.4 General Characteristics 268 11.2 Chemical and Physical Properties of Erythritol 271 11.3 Estimation of Erythritol 271 11.3.1 Thin Layer Chromatography (TLC) 273 11.3.2 Colorimetric Assay for Detection of Polyols 273 11.3.3 High-Performance Liquid Chromatography (HPLC) 273 11.3.4 Capillary Electrophoresis (CE) 273 11.4 Production Methods for Erythritol 274 11.4.1 Chemical Methods for Erythritol Production 274 11.4.2 Fermentative Methods for Erythritol Production 274 11.5 Optimization of Erythritol Production 275 11.5.1 One Factor at a Time 276 11.5.2 Statistical Design Approaches 277 11.6 Toxicology of Erythritol 277 11.7 Applications of Erythritol 277 11.7.1 Confectioneries 278 11.7.2 Bakery 279 11.7.3 Pharmaceuticals 279 11.7.4 Cosmetics 279 11.7.5 Beverages 279 11.8 Precautions for Erythritol Usage 279 11.9 Global Market for Erythritol 280 11.10 Conclusions 280 References 281 12 Sugar and Sugar Alcohols: Xylitol 285 Bhumica Agarwal and Lalit Kumar Singh 12.1 Introduction 285 12.1.1 Lignocellulosic Biomass 286 12.1.2 Properties of Xylitol 287 12.1.3 Occurrence and Production of Xylitol 289 12.2 Biomass Conversion Process 289 12.2.1 Pretreatment Methodologies 289 12.2.2 Enzymatic Hydrolysis 292 12.2.3 Detoxification Techniques 293 12.3 Utilization of Xylose 296 12.3.1 Microorganisms Utilizing Xylose 296 12.3.2 Metabolism of Xylose 297 12.4 Process Variables 299 12.4.1 Temperature and pH 299 12.4.2 Substrate Concentration 300 12.4.3 Aeration 301 References 303 13 Trehalose: An Anonymity Turns Into Necessity 309 Manali Datta and Dignya Desai 13.1 Introduction 309 13.2 Trehalose Metabolism Pathways 310 13.3 Physicochemical Properties and its Biological Significance 311 13.4 Trehalose Production 312 13.4.1 Enzymatic Conversion to Trehalose 312 13.4.2 Microbe Mediated Fermentation 314 13.4.3 Purification and Detection of Trehalose in Fermentation Process 316 13.5 Application of Trehalose 317 13.5.1 Role of Trehalose in Food Industries 317 13.5.2 Role of Trehalose in Cosmetics and Pharmaceutics 318 13.6 Conclusions 319 References 320 14 Production of Yeast Derived Microsomal Human CYP450 Enzymes (Sacchrosomes) in High Yields, and Activities Superior to Commercially Available Microsomal Enzymes 323 Ibidapo Stephen Williams and Bhabatosh Chaudhuri 14.1 Introduction 323 14.1.1 Cytochrome P450 (CYP) Enzymes in Humans 323 14.1.2 Human Cytochrome P450 Enzymes and their Role in Drug Metabolism 324 14.1.3 Requirement of Activating Proteins to Form Functional Human CYP Enzymes 325 14.1.4 Use of Yeast Biased Codons for the Syntheses of Human Cytochrome P450 Genes 325 14.1.5 Expression of Human CYP Genes in Baker’s Yeast from an Episomal Plasmid 325 14.1.6 Expression of Human CYP Genes in Baker’s Yeast from Integrative Plasmids 327 14.1.7 The ADH2 Promoter for Production of Human CYP Enzymes in Baker’s Yeast 327 14.1.8 Growth of Yeast Cells Containing Integrated Copies of CYP Gene Expression Cassettes, Driven by the ADH2 Promoter, for Production of CYP Enzymes 328 14.2 Amounts of Microsomal CYP Enzyme Isolated from Yeast Strains Containing Chromosomally Integrated CYP Gene Expression Cassettes are far Higher than Strains Harbouring an Episomal Expression Plasmid Encoding a CYP Gene 328 14.2.1 Preparation of Microsomal CYP Enzymes 328 14.2.2 Measurement of the Amounts of Functional CYPs in Microsomes Isolated from Baker’s Yeast 329 14.2.3 Production of Functional Human CYP1A2 Microsomal Enzyme from Baker’s Yeast 330 14.2.4 Production of Functional Human CYP3A4 Microsomal Enzyme from Baker’s Yeast 330 14.2.5 Production of Functional Human CYP2D6 Microsomal Enzyme from Baker’s Yeast 331 14.2.6 Production of Functional Human CYP2C19 Microsomal Enzyme from Baker’s Yeast 332 14.2.7 Production of Functional Human CYP2C9 Microsomal Enzyme from Baker’s Yeast 333 14.2.8 Production of Functional Human CYP2E1 Microsomal Enzyme from Baker’s Yeast 333 14.2.9 Comments on the Production of Human CYP Enzymes from Baker’s Yeast 334 14.3 Comparison of CYP Enzyme Activity of Yeast-Derived Microsomes (Sacchrosomes) with Commercially Available Microsomes Isolated from Insect and Bacterial Cells 336 14.3.1 Fluorescence-based Assays for Determining CYP Enzyme Activities in Isolated Microsomes 336 14.3.2 Comparison of Enzyme Activity of CYP1A2 Sacchrosomes with Commercially Available CYP1A2 Microsomes Isolated from Insect and Bacterial Cells 336 14.3.3 Comparison of Enzyme Activity of CYP2C9 Sacchrosomes with Those of Commercially Available CYP2C9 Microsomes from Insect and Bacterial Cells 337 14.3.4 Comparison of Enzyme Activity of CYP2C19 Sacchrosomes with Those of Commercially Available CYP2C19 Microsomes from Insect and Bacterial Cells 337 14.3.5 Comparison of Enzyme Activity of CYP2D6 Sacchrosomes with Those of Commercially Available CYP2D6 Microsomes from Insect and Bacterial Cells 338 14.3.6 Comparison of Enzyme Activity of CYP3A4 Sacchrosomes with Those of Commercially Available CYP3A4 Microsomes from Insect and Bacterial Cells 338 14.3.7 Comparison of Enzyme Activity of CYP2E1 Sacchrosomes with One of the Commercial CYP2E1 Microsomes Available from Insect Cells 339 14.4 IC50 Values of Known CYP Inhibitors Using Sacchrosomes, Commercial Enzymes and HLMs 339 14.5 Stabilisation of Sacchrosomes through Freeze-drying 340 14.6 Conclusions 342 References 345 15 Artemisinin: A Potent Antimalarial Drug 347 Alok Malaviya, Karan Malhotra, Anil Agarwal and Katherine Saikia 15.1 Introduction 347 15.2 Biosynthesis of Artemisinin in Artemisia annua and Pathways Involved 348 15.3 Yield Enhancement Strategies in A. annua 351 15.4 Artemisinin Production Using Heterologous Hosts 352 15.4.1 Microbial Engineering 352 15.4.2 Plant Metabolic Engineering 353 15.5 Spread of Artemisinin Resistance 357 15.6 Challenges in Large-Scale Production 358 15.7 Future Prospects 360 References 360 16 Microbial Production of Flavonoids: Engineering Strategies for Improved Production 365 Aravind Madhavan, Raveendran Sindhu, KB Arun, Ashok Pandey, Parameswaran Binod and Edgard Gnansounou 16.1 Introduction 365 16.2 Flavonoids 366 16.3 Flavonoid Chemistry and Classes 366 16.4 Health Benefits of Flavonoids 367 16.5 Flavonoid Biosynthesis in Microorganism 368 16.6 Engineering of Flavonoid Biosynthesis Pathway 370 16.7 Metabolic Engineering Strategies 370 16.8 Applications of Synthetic Biology in Flavonoid Production 371 16.9 Post-modification of Flavonoids 374 16.10 Purification of Flavonoids 374 16.11 Conclusion 375 Acknowledgements 375 References 376 17 Astaxanthin: Current Advances in Metabolic Engineering of the Carotenoid 381 Manmeet Ahuja, Jayesh Varavadekar, Mansi Vora, Piyush Sethia, Harikrishna Reddy and Vidhya Rangaswamy 17.1 Introduction 381 17.1.1 Structure of Astaxanthin 382 17.1.2 Natural vs. Synthetic Astaxanthin 382 17.1.3 Uses and Market of Astaxanthin 383 17.2 Pathway of Astaxanthin 384 17.2.1 Bacteria 384 17.2.2 Algae 384 17.2.3 Yeast 385 17.2.4 Plants 386 17.3 Challenges/Current State of the Art in Fermentation/Commercial Production 386 17.4 Metabolic Engineering for Astaxanthin 388 17.4.1 Bacteria 388 17.4.2 Plants 390 17.4.3 Synechocystis 391 17.4.4 Algae 391 17.4.5 Yeast 392 17.5 Future Prospects 393 References 395 18 Exploitation of Fungal Endophytes as Bio-factories for Production of Functional Metabolites through Metabolic Engineering; Emphasizing on Taxol Production 401 Sanjog Garyali, Puja Tandon, M. Sudhakara Reddy and Yong Wang 18.1 Introduction 401 18.2 Taxol: History and Clinical Impact 403 18.3 Endophytes 403 18.3.1 Biodiversity of Endophytes 405 18.3.2 Endophyte vs. Host Plant: the Relationship 405 18.4 The Plausibility of Horizontal Gene Transfer (HGT) Hypothesis 407 18.5 Endophytes as Biological Factories of Functional Metabolites 409 18.6 Taxol Producing Endophytic Fungi 410 18.7 Molecular Basis of Taxol Production by Taxus Plants (Taxol Biosynthetic Pathway) 412 18.8 Metabolic Engineering for Synthesis of Taxol: Next Generation Tool 416 18.8.1 Plant Cell Culture 417 18.8.2 Microbial Metabolic Engineering for Synthesis of Taxol and Its Precursors 418 18.8.3 Metabolic Engineering in Heterologous Plant for Synthesis of Taxol and Its Precursors 420 18.9 Future Perspectives 421 Acknowledgements 423 References 423 Index 431

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Book SynopsisSmart Textiles: Wearable Nanotechnology provides a comprehensive presentation of recent advancements in the area of smart nanotextiles giving specific importance to materials and production processes. Different materials, production routes, performance characteristics, application areas and functionalization mechanisms are covered. The book provides a guideline to students, researchers, academicians and technologists who seek novel solutions in the related area by including groundbreaking advancements in different aspects of the diverse smart nanotextiles fields. This ground-breaking book is expected to spark an inspiration to allow future progress in smart nanotextiles research. The diversity of the topics, as well as the expert subject-matter contributors from all over the world representing various disciplines, ensure comprehensiveness and a broad understanding of smart nanotextiles.Table of ContentsPreface xv Acknowledgments xvii Section 1: Introduction 1 1 Introduction to Smart Nanotextiles 3Nazire Deniz Yilmaz 1.1 Introduction 3 1.1.1 Application Areas of Smart Nanotextiles 7 1.1.2 Incorporating Smartness into Textiles 8 1.1.3 Properties of Smart Nanotextiles 9 1.1.4 Nanotechnology 9 1.1.5 Nanomaterials 10 1.2 Nanofibers 11 1.2.1 Moisture Management 12 1.2.2 Thermoregulation 13 1.2.3 Personal Protection 13 1.2.4 Biomedicine 14 1.3 Nanosols 14 1.3.1 Applications of Nanosols 15 1.4 Responsive Polymers 16 1.5 Nanowires 18 1.6 Nanogenerators 19 1.7 Nanocomposites 21 1.8 Nanocoating 23 1.9 Nanofiber Formation 24 1.10 Nanotechnology Characterization Methods 26 1.11 Challenges and Future Studies 27 1.12 Conclusion 29 References 29 Section 2: Materials for Smart Nanotextiles 39 2 Nanofibers for Smart Textiles 41Lynn Yuqin Wan 2.1 Introduction 41 2.2 Nanofibers and Their Advantages 42 2.3 Nanofiber Fabrication Technologies and Electrospinning 46 2.4 Smart Nanofibers and Their Applications in Textiles 48 2.4.1 Moisture Management and Waterproof 49 2.4.2 Thermoregulation 52 2.4.3 Personal Protection 54 2.4.4 Wearables and Sensors 57 2.4.5 Medical Care 59 2.5 Challenges Facing Electrospinning 60 2.5.1 Enhancement of Mechanical Properties 60 2.5.2 Large-Scale Production 61 2.5.3 Formation of Nanofiber-Based Yarn and Fabric 63 2.5.2 Other Issues 64 2.6 Future Outlook 65 2.6.1 Fabrication Technology 65 2.6.2 Applications Meet the Needs 67 2.7 Conclusion 68 References 69 3 Nanosols for Smart Textiles 91Boris Mahltig 3.1 Introduction 91 3.2 Preparation of Nanosols as Coating Agents 93 3.3 Application on Textiles 95 3.4 Nanosols and Smart Textiles 96 3.4.1 Photocatalytic and Light Responsive Materials 96 3.4.2 Antimicrobial and Bioactive Systems 101 3.4.3 Controlled Release Systems 103 3.5 Summary 103 Acknowledgements 104 References 104 4 Responsive Polymers for Smart Textiles 111Eri Niiyama, Ailifeire Fulati and Mitsuhiro Ebara 4.1 Classification of Stimuli-Responsive Polymers 111 4.2 Fiber Fabrication 113 4.3 Biomedical Application 116 4.3.1 Sensors 116 4.3.2 Drug Delivery Systems (DDSs) 117 4.3.3 Cell Application 120 4.4 Filters 122 4.5 Conclusion 123 References 124 5 Nanowires for Smart Textiles 127Jizhong Song 5.1 Introduction 127 5.2 Advantages of Nanowires to Smart Textiles 130 5.2.1 Balance between Transparency and Conductivity 130 5.2.2 High Specific Surface Area 131 5.2.3 Direct Charge Transport Path 131 5.2.4 Oriented Assembly 132 5.3 Various Nanowires for Smart Textiles 132 5.3.1 Conductive Nanowires for Smart Textiles 132 5.3.1.1 Metal Nanowires for Smart Textiles 133 5.3.1.2 Polymer Nanowires for Smart Textiles 138 5.3.2 Semiconducting Nanowires for Smart Textiles 141 5.3.2.1 Oxide Nanowires for Smart Textiles 141 5.3.2.2 Sulfide Nanowires for Smart Textiles 147 5.3.2.3 Other Nanowires for Smart Textiles 150 5.4 Perspectives on Future Research 152 References 164 6 Nanogenerators for Smart Textiles 177Xiong Pu, Weiguo Hu and Zhong Lin Wang 6.1 Introduction 177 6.2 Working Mechanisms of Nanogenerators 179 6.2.1 Piezoelectric Nanogenerators 179 6.2.2 Triboelectric Nanogenerators 181 6.2.3 Theoretical Origin of Nanogenerators – Maxwell’s Displacement Current 184 6.3 Progresses of Nanogenerators for Smart Textiles 186 6.3.1 Piezoelectric Nanogenerators for Smart Textiles 187 6.3.1.1 Fiber-Based PENGs 187 6.3.1.2 Textile-Based PENGs 189 6.3.2 Triboelectric Nanogenerators for Smart Textiles 192 6.3.2.1 Fiber-Based TENGs 192 6.3.2.2 Textile-Based TENGs Starting from 1D Yarns/Fibers 194 6.3.2.3 Textile-Based TENGs Starting from 2D Fabrics 197 6.3.3 Hybrid Nanogenerators for Smart Textiles 200 6.3.3.1 Integrating with Energy-Storage Devices 200 6.3.3.2 Integrating with Energy-Harvesting Devices 201 6.4 Conclusions and Prospects 204 References 205 7 Nanocomposites for Smart Textiles 211Nazire Deniz Yilmaz 7.1 Introduction 211 7.2 Classification of Nanocomposites 213 7.2.1 Nanocomposites Based on Matrix Types 214 7.3 Structure and Properties of Nanocomposites 215 7.4 Production Methods of Nanocomposites 216 7.5 Nanocomposite Components 218 7.5.1 Carbon Nanotubes 218 7.5.2 Carbon Nanofiber 220 7.5.3 Nanocellulose 221 7.5.4 Conducting Polymers 223 7.5.5 Nanoparticles 224 7.5.6 Nanoclays 225 7.5.7 Nanowires 226 7.5.8 Others 227 7.6 Nanocomposite Forms 231 7.6.1 Laminated Nanocomposites 231 7.6.2 Nanocomposite Fibers 231 7.6.3 Nanocomposite Membranes 232 7.6.4 Nanocomposite Coatings 233 7.6.5 Nanocomposite Hydrogels 233 7.7 Functions of Nanocomposites in Smart Textiles 234 7.7.1 Sensors 234 7.7.2 Antibacterial Activity 236 7.7.3 Defense Applications 236 7.7.4 Fire Protection 236 7.7.5 Actuators 236 7.7.6 Self-Cleaning 237 7.7.7 Energy Harvesting 237 7.8 Future Outlook 238 7.9 Conclusion 239 References 239 8 Nanocoatings for Smart Textiles 247Esfandiar Pakdel, Jian Fang, Lu Sun and Xungai Wang 8.1 Introduction 247 8.2 Fabrication Methods of Nanocoatings 249 8.2.1 Sol–Gel 249 8.3 Sol–Gel Coatings on Textiles 252 8.3.1 Self-Cleaning Coatings 252 8.3.1.1 Photocatalytic Self-Cleaning Nanocoatings 252 8.3.1.2 Self-Cleaning Surface Based on Superhydrophobic Coatings 259 8.3.2 Antimicrobial Sol–Gel Nanocoatings 263 8.3.3 UV-Protective Nanocoatings 266 8.4 Impregnation and Cross-Linking Method 268 8.5 Plasma Surface Activation 271 8.6 Polymer Nanocomposite Coatings 274 8.6.1 Flame-Retardant Coatings 276 8.6.2 Thermal Regulating Coatings 279 8.6.2.1 Phase Change Materials (PCMs) 279 8.6.2.2 Nanowire Composite Coatings 282 8.6.3 Conductive Coatings 286 8.6.3.1 Carbon-Based Conductive Coating 287 8.6.3.2 Metal-Based Conductive Coating 288 8.7 Conclusion and Future Prospect 291 Acknowledgements 291 References 291 Section 3: Production Technologies for Smart Nanotextiles 301 9 Production Methods of Nanofibers for Smart Textiles 303Rajkishore Nayak 9.1 Introduction 303 9.2 Electrospinning 305 9.2.1 Types of Electrospinning 306 9.2.1.1 Solution Electrospinning 306 9.2.1.2 Melt Electrospinning 308 9.2.2 Use of Electrospinning for Smart Textiles 313 9.2.3 Multijets from Single Needle 317 9.2.4 Multijets from Multiple Needles 317 9.2.5 Multijets from Needleless Systems 318 9.2.6 Other Potential Approaches in Electrospinning 319 9.2.7 Bubble Electrospinning 319 9.2.8 Electroblowing 320 9.2.9 Electrospinning by Porous Hollow Tube 321 9.2.10 Electrospinning by Microfluidic Manifold 321 9.2.11 Roller Electrospinning 322 9.3 Other Techniques without Electrostatic Force 324 9.3.1 Melt Blowing 324 9.3.2 Wet Spinning 326 9.3.3 Melt Spinning 327 9.3.4 Template Melt Extrusion 328 9.3.5 Flash Spinning 328 9.3.6 Bicomponent Spinning 330 9.3.7 Other Approaches 331 9.4 Comparisons of Different Processes 333 9.5 Conclusions 337 References 337 10 Characterization Methods of Nanotechnology-Based Smart Textiles 347Mamatha M. Pillai, R. Senthilkumar, R. Selvakumar and Amitava Bhattacharyya 10.1 Introduction 348 10.2 Nanomaterial Characterization Using Spectroscopy 351 10.2.1 Raman Spectroscopy 351 10.2.1.1 Principle 351 10.2.1.2 Applications 352 10.2.2 Fourier Transform Infrared Spectroscopy 353 10.2.2.1 Principle 353 10.2.2.2 Applications 354 10.2.3 Ultraviolet UV–Vis Spectroscopy 356 10.2.3.1 Principle 356 10.2.3.2 Applications 357 10.3 Nanomaterial Characterization Using Microscopy 358 10.3.1 Scanning Electron Microscopy 358 10.3.1.1 Principle 359 10.3.1.2 Sample Preparation 359 10.3.1.3 Applications 360 10.3.2 Energy Dispersive X-Ray Analysis 361 10.3.2.1 Principle 361 10.3.2.2 Applications 361 10.3.3 Transmission Electron Microscopy (TEM) 362 10.3.3.1 Principle 362 10.3.3.2 Sample Preparation 362 10.3.3.3 Applications 363 10.3.4 Scanning Probe Microscopy (SPM) 364 10.3.4.1 Principle 365 10.3.4.2 Applications 366 10.4 Characterization Using X-Ray 367 10.4.1 X-Ray Diffraction 367 10.4.1.1 Principle 367 10.4.1.2 Applications 368 10.4.2 X-Ray Photoelectron Spectroscopy (XPS) 368 10.4.2.1 Principle 369 10.4.2.2 Applications 369 10.5 Particle Size and Zeta Potential Analysis 369 10.5.1 Principle 370 10.5.2 Applications 370 10.6 Biological Characterizations 371 10.7 Other Characterization Techniques 371 10.8 Conclusions 374 References 374 Index 379

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Book SynopsisA solid introduction to the field of surfactant science, this new edition provides updated information about surfactant uses, structures, and preparation, as well as seven new chapters expanding on technology applications. Offers a comprehensive introduction and reference of the science and technology of surface active materials Elaborates, more fully than prior editions, aspects of surfactant crystal structure as well as their effects on applications Adds more information on new classes and applications of natural surfactants in light of environmental consequences of surfactant use Table of ContentsPreface xv 1 An Overview of Surfactant Science and Technology 1 1.1 A Brief History of Surfactant Science and Technology 3 1.2 Surfactants in the Modern World 5 1.3 The Economics of Surfactant Science and Technology 8 1.4 The Near-Term Economic and Technological Future for Surfactants 10 1.5 Surfactantsin the Environment 11 1.6 A Surfactant Glossary 13 2 The Classification of Surfactants 17 2.1 The Basic Structure of Amphiphilic Molecules 17 2.2 A Systematic Classification of Surfactants 19 2.2.1 Surfactant Solubilizing Groups 19 2.2.2 Making a Choice 21 2.3 The Generic Anatomy of Surfactants 21 2.3.1 The Many Faces of Dodecane 22 2.3.2 Surfactant Solubilizing Groups 25 2.3.3 Common Surfactant Hydrophobic Groups 26 2.3.3.1 The Natural Fatty Acids 27 2.3.3.2 Saturated Hydrocarbons or Paraffins 28 2.3.3.3 Olefins 28 2.3.3.4 Alkyl Benzenes 29 2.3.3.5 Alcohols 29 2.3.3.6 Alkyl Phenols 30 2.3.3.7 Polyoxypropylenes 30 2.3.3.8 Fluorocarbons 31 2.3.3.9 Silicone Surfactants 32 2.3.3.10 Miscellaneous Biological Structures 32 2.4 The Systematic Classification of Surfactants 33 2.5 Anionic Surfactants 34 2.5.1 Sulfate Esters 35 2.5.1.1 Fatty Alcohol Sulfates 36 2.5.1.2 Sulfated Fatty Acid Condensation Products 36 2.5.1.3 Sulfated Ethers 37 2.5.1.4 Sulfated Fats and Oils 38 2.5.2 Sulfonic Acid Salts 39 2.5.2.1 Aliphatic Sulfonates 39 2.5.2.2 Alkyl Aryl Sulfonates 40 2.5.2.3 α-Sulfocarboxylic Acids and Their Derivatives 42 2.5.2.4 Miscellaneous Sulfo-Ester and Amide Surfactants 43 2.5.2.5 Alkyl Glyceryl Ether Sulfonates 46 2.5.2.6 Lignin Sulfonates 46 2.5.3 Carboxylate Soaps and Detergents 46 2.5.4 Phosphoric Acid Esters and Related Surfactants 48 2.6 Cationic Surfactants 49 2.7 Nonionic Surfactants 51 2.7.1 Polyoxyethylene-Based Surfactants 51 2.7.2 Derivatives of Polyglycerols and Other Polyols 52 2.7.3 Block Copolymer Nonionic Surfactants 54 2.7.4 Miscellaneous Nonionic Surfactants 54 2.8 Amphoteric Surfactants 55 2.8.1 Imidazoline Derivatives 56 2.8.2 Surface-Active Betaines and Sulfobetaines 57 2.8.3 Phosphatides and Related Amphoteric Surfactants 58 3 Surfactant Chemical Structures: Putting the Pieces Together 61 3.1 Surfactant Building Blocks 61 3.2 A Surfactant Family Tree 63 3.2.1 The Many Faces of Dodecane 63 3.3 Common Surfactant Hydrophobic Groups 66 3.3.1 The Natural Fatty Acids 67 3.3.2 Paraffins or Saturated Hydrocarbons 67 3.3.3 Olefins 67 3.3.4 Alkylbenzenes 68 3.3.5 Alcohols 69 3.3.6 Alkylphenols 70 3.3.7 Polyoxypropylene 70 3.3.8 Fluorocarbons 70 3.3.9 Silicone-Based Surfactants 72 3.3.10 Nonchemically Produced, a.k.a. “Natural” Surfactants 74 4 Natural Surfactants and Biosurfactants 75 4.1 What Makes a Surfactant “Natural”? 76 4.2 Surfactants Based on a Natural Sugar-Based Polar Head Groups 78 4.3 Biosurfactants 80 4.3.1 Biosurfactants as Nature Makes Them 80 4.3.2 Properties of Biosurfactants 81 4.3.3 Biosurfactant Classification 83 4.3.4 Some Aspects of Biosurfactant Production 84 4.3.5 Some Factors Affecting Biosurfactant Production 85 4.4 Biosurfactant Applications 87 4.5 Potential Limitations on the Commercial Use of Biosurfactants 90 4.6 Some Opportunities for Future Research and Development 90 4.7 Some Observations About the Future of Biosurfactants 90 5 Fluid Surfaces and Interfaces 93 5.1 Molecules at Interfaces 95 5.2 Interfaces and Adsorption Phenomena 97 5.2.1 A Thermodynamic Picture of Adsorption 97 5.2.2 Surface and Interfacial Tensions 99 5.2.3 The Effect of Surface Curvature 101 5.2.4 The Surface Tension of Solutions 102 5.2.5 Surfactants and the Reduction of Surface Tension 103 5.2.6 Efficiency, Effectiveness, and Surfactant Structure 105 6 Surfactants in Solution: Self-Assembly and Micelle Formation 115 6.1 Surfactant Solubility 116 6.2 The Phase Spectrum of Surfactants in Solution 119 6.3 The History and Development of Micellar Theory 123 6.3.1 Manifestations of Micelle Formations 124 6.3.2 Thermodynamics of Dilute Surfactant Solutions 127 6.3.3 Classical Theories of Micelle Formation 128 6.3.4 Free Energy of Micellization 129 6.4 Molecular Geometry and the Formation of Association Colloids 130 6.5 Experimental Observations of Micellar Systems 133 6.5.1 Micellar Aggregation Numbers 133 6.5.2 The Critical Micelle Concentration 135 6.5.3 The Hydrophobic Group 135 6.5.4 The Hydrophilic Group 143 6.5.5 Counterion Effects on Micellization 145 6.5.6 The Effects of Additives on the Micellization Process 146 6.5.6.1 Electrolyte Effects on Micelle Formation 147 6.5.6.2 The Effect of pH 148 6.5.6.3 The Effects of Added Organic Materials 149 6.5.7 The Effect of Temperature on Micellization 151 6.6 Micelle Formation in Mixed Surfactant Systems 153 6.7 Micelle Formation in Nonaqueous Media 154 6.7.1 Aggregation in Polar Organic Solvents 155 6.7.2 Micelles in Nonpolar Solvents 155 7 Beyond Micelles: Higher Level Self-Assembled Aggregate Structures 161 7.1 The Importance of Surfactant Phase Information 161 7.2 Amphiphilic Fluids 163 7.2.1 Liquid Crystalline, Bicontinuous, and Microemulsion Structures 163 7.2.2 “Classical” Liquid Crystals 165 7.2.3 Liquid Crystalline Phases in Simple Binary Systems 166 7.3 Temperature and Additive Effects on Phase Behavior 170 7.4 Some Current Theoretical Analyses of Novel Mesophases 171 7.5 Vesicles and Bilayer Membranes 171 7.5.1 Vesicles 173 7.5.2 Polymerized Vesicles 174 7.6 Biological Membranes 176 7.6.1 Some Biological Implications of Mesophases 176 7.6.2 Membrane Surfactants and Lipids 177 7.7 Microemulsions 179 7.7.1 Surfactants, Co-surfactants, and Microemulsion Formation 183 7.7.1.1 Ionic Surfactant Systems 183 7.7.1.2 Nonionic Surfactant Systems 184 7.7.2 Applications 185 8 Surfactant Self-Assembled Aggregates at Work 187 8.1 Solubilization in Surfactants Micelles 188 8.1.1 The “Geography” of Solubilization in Micelles 189 8.1.2 Surfactant Structure and the Solubilization Process 191 8.1.3 Solubilization and the Nature of the Additive 194 8.1.4 The Effect of Temperature on Solubilization Phenomena 196 8.1.5 The Effects of Nonelectrolyte Solutes 197 8.1.6 The Effects of Added Electrolyte 198 8.1.7 Miscellaneous Factors Affecting Micellar Solubilization 199 8.1.8 Hydrotropes 199 8.2 Micellar Catalysis 201 8.2.1 Micellar Catalysis in Aqueous Solution 201 8.2.2 Micellar Catalysis in Nonaqueous Solvents 203 9 Polymeric Surfactants and Surfactant–Polymer Interactions 205 9.1 Polymeric Surfactants and Amphiphiles 205 9.2 Some Basic Chemistry of Polymeric Surfactant Synthesis 207 9.2.1 The Modification of Natural Cellulosic Materials, Gums, and Proteins 207 9.2.2 Synthetic Polymeric Surfactants 208 9.3 Polymeric Surfactants at Interfaces: Structure and Methodology 213 9.4 The Interactions of “Normal” Surfactants with Polymers 214 9.4.1 Surfactant–Polymer Complex Formation 215 9.4.2 Nonionic Polymers 218 9.4.3 Ionic Polymers and Proteins 219 9.5 Polymers, Surfactants, and Solubilization 222 9.6 Surfactant–Polymer Interactions in Emulsion Polymerization 223 10 Emulsions 225 10.1 The Liquid–Liquid Interface 226 10.2 General Considerations of Emulsion Stability 227 10.2.1 The Lifetimes of Typical Emulsions 230 10.2.2 Theories of Emulsion Stability 232 10.3 Emulsion Type and the Nature of the Surfactant 233 10.4 Surface Activity and Emulsion Stability 235 10.5 Mixed Surfactant Systems and Interfacial Complexes 239 10.6 Amphiphile Mesophases and Emulsion Stability 242 10.7 Surfactant Structure and Emulsion Stability 245 10.7.1 The Hydrophile–Lipophile Balance (HLB) 245 10.7.2 Phase Inversion Temperature (PIT) 250 10.7.3 Application of HLB and PIT in Emulsion Formulation 251 10.7.4 The Effects of Additives on the “Effective” HLB of Surfactants 253 10.8 Multiple Emulsions 254 10.8.1 Nomenclature for Multiple Emulsions 254 10.8.2 Preparation and Stability of Multiple Emulsions 254 10.8.3 Pathways for Primary Emulsion Breakdown 255 10.8.4 The Surfactants and Phase Components 256 11 Foams and Liquid Aerosols 259 11.1 The Physical Basis for Foam Formation 260 11.2 The Role of Surfactant in Foams 263 11.2.1 Foam Formation and Surfactant Structure 266 11.2.2 Amphiphilic Mesophases and Foam Stability 268 11.2.3 The Effects of Additives on Surfactant Foaming Properties 269 11.3 Foam Inhibition 271 11.4 Chemical Structures of Antifoaming Agents 272 11.5 A Summary of the Foaming and Antifoaming Activity of Additives 273 11.6 The Spreading Coefficient 274 11.7 Liquid Aerosols 276 11.7.1 The Formation of Liquid Aerosols 276 11.7.1.1 Spraying and Related Mechanisms of Mist and Fog Formation 276 11.7.1.2 Nozzle Atomization 277 11.7.1.3 Rotary Atomization 278 11.7.2 Aerosol Formation by Condensation 279 11.7.3 Colloidal Properties of Aerosols 282 11.7.3.1 The Dynamics of Aerosol Movement 282 11.7.3.2 Colloidal Interactions in Aerosols 284 12 Solid Surfaces: Adsorption, Wetting, and Dispersions 287 12.1 The Nature of Solid Surfaces 287 12.2 Liquid Versus Solid Surfaces 290 12.3 Adsorption at the Solid–Liquid Interface 291 12.3.1 Adsorption Isotherms 292 12.3.2 Mechanisms of Surfactant Adsorption 293 12.3.2.1 Dispersion Forces 294 12.3.2.2 Polarization and Dipolar Interactions 295 12.3.2.3 Electrostatic Interactions 296 12.3.3 The Electrical Double Layer 297 12.4 The Mechanics of Surfactant Adsorption 298 12.4.1 Adsorption and the Nature of the Adsorbent Surface 299 12.4.2 Nonpolar, Hydrophobic Surfaces 299 12.4.3 Polar, Uncharged Surfaces 300 12.4.4 Surfaces Having Discrete Electrical Charges 301 12.5 Surfactant Structure and Adsorption from Solution 303 12.5.1 Surfaces Possessing Strong Charge Sites 303 12.5.2 Adsorption by Uncharged, Polar Surfaces 306 12.5.3 Surfactants at Nonpolar, Hydrophobic Surfaces 306 12.6 Surfactant Adsorption and the Character of Solid Surfaces 307 12.7 Wetting and Related Phenomena 308 12.7.1 Surfactant Manipulation of the Wetting Process 311 12.7.2 Some Practical Examples of Wetting Control By Surfactants 314 12.7.3 Detergency and Soil Removal 314 12.7.4 The Cleaning Process 314 12.7.5 Soil Types 315 12.7.6 Solid Soil Removal 316 12.7.7 Liquid Soil Removal 317 12.7.8 Soil Re-deposition 318 12.7.9 Correlations of Surfactant Structure and Detergency 319 12.7.10 Nonaqueous Cleaning Solutions 320 12.8 Suspensions and Dispersions 321 13 Special Topics in Surfactant Applications 323 13.1 Surfactants in Foods 323 13.1.1 The Legal Status of Surfactants in Food Products 324 13.1.2 Typical Food Emulsifier Sources 324 13.1.3 Chemical Structures of Some Important Food Emulsifiers 326 13.1.3.1 Monoglycerides 326 13.1.3.2 Derivatives of Monoglycerides 327 13.1.3.3 Derivatives of Sorbitol 329 13.1.3.4 Polyhydric Emulsifiers 330 13.1.3.5 Polyglycerol Esters 331 13.1.3.6 Sucrose Esters 331 13.1.3.7 Anionic Food Emulsifiers 332 13.1.3.8 Lecithin 333 13.2 Some Important Functions of Surfactants in Food Products 334 13.2.1 Emulsifiers as Crystal Modifiers in Food 335 13.2.2 Bakery Products 337 13.2.2.1 Anti-staling Agents 338 13.2.2.2 Starch–Emulsifier Complexation 339 13.2.2.3 Dough Strengtheners 340 13.2.2.4 Aerating Agents 341 13.2.3 Emulsifier Use in Dairy and Nondairy Substitutes 342 13.2.3.1 What Makes Milk “Milk”? 343 13.2.3.2 Surfactant Uses in Cheeses and Cheese Substitutes 344 13.2.3.3 Surfactant Use in Deserts and Yogurts 344 13.2.3.4 Butter and Margarine 344 13.2.3.5 Whipped Cream and Nondairy Whipped Toppings 345 13.2.3.6 Dairy Drinks 347 13.2.3.7 Ice Cream 347 13.2.3.8 Coffee Whiteners 348 13.2.4 Protein Emulsifiers in Foods 349 13.2.4.1 Proteins as Foam Stabilizers 351 13.2.4.2 Proteins as Emulsifying Agents 352 13.2.4.3 Protein–Low Molecular Weight Emulsifier Interactions 353 13.3 Pharmaceutical and Medicinal Applications 354 13.4 Petroleum and Natural Gas Extraction 355 13.4.1 Enhanced Oil Recovery 356 13.4.2 Hydraulic Fracturing or “Fracking” 358 13.5 Paints and Surface Coatings 359 13.5.1 Interfaces in Paints and Coatings 360 13.5.2 Wetting and Dispersing Additives 361 13.5.3 Wetting Agents 363 13.5.4 Dispersing Agents 363 13.5.5 Surface Wetting with Silicone Surfactants 366 14 “Multiheaded” Amphiphiles: Gemini and Bolaform Surfactants 369 14.1 Two (or More) Can Be Better Than One 369 14.1.1 Structural Characteristics of Gemini Surfactants 370 14.1.2 Some Synthetic Pathways to Gemini Structures 371 14.1.3 Important Surfactant Properties of Gemini Surfactants 372 14.1.4 Some “Outside the Box” Potential Applications of Gemini Surfactants 375 14.2 Bolaform Surfactants 377 14.3 Chemical Structures and Self-Assembly Patterns 380 Chapter Bibliographies 381 Index 389

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Book SynopsisThe newest volume in the authoritative Inorganic Syntheses book series provides users of inorganic substances with detailed and foolproof procedures for the preparation of important and timely inorganic and organometallic compounds that can be used in reactions to develop new materials, drug targets, and bio-inspired chemical entities.Table of ContentsNote to Contributors and Checkers xv Toxic Substances and Laboratory Hazards xvii Preface xix Chapter One DIVALENT MANGANESE, IRON, AND COBALT BIS(TRIMETHYLSILYL)AMIDO DERIVATIVES AND THEIR TETRAHYDROFURAN COMPLEXES 1 1. Introduction 1 2. Bis{bis(trimethylsilyl)amido}iron(II) dimer: [Fe{N(SiMe3)2}2]2 4 A. Bis{bis(trimethylsilyl)amido}iron(II) dimer: [Fe{N(SiMe3)2}2]2 5 3. Bis{bis(trimethylsilyl)amido}cobalt(II) dimer, [Co{N(SiMe3)2}2]2,and bis{bis(trimethylsilyl)amido}(tetrahydrofuran)cobalt(II),Co{N(SiMe3)2}2(THF) 7 A. Bis{bis(trimethylsilyl)amido}cobalt(II) dimer: [Co{N(SiMe3)2}2]2 . 8 B. Bis{bis(trimethylsilyl)amido}(tetrahydrofuran)cobalt(II): Co{N(SiMe3)2}2(THF) 9 4. Bis{bis(trimethylsilyl)amido}manganese(II) dimer, [Mn{N(SiMe3)2}2]2, and its THF complexes Mn{N(SiMe3)2}2(THF) and Mn{N(SiMe3)2}2(THF)2 10 A. Bis{bis(trimethylsilyl)amido}(tetrahydrofuran)manganese(II),Mn{N(SiMe3)2}2(THF), and bis{bis(trimethylsilyl)amido} manganese(II) dimer, [Mn{N(SiMe3)2}2]2 11 B. Bis{bis(trimethylsilyl)amido}bis(tetrahydrofuran)manganese(II) 12 C. An alternative synthesis of Mn{N(SiMe3)2}2(THF) and [Mn{N(SiMe3)2}2]2 12 Chapter Two CALCIUM, STRONTIUM, GERMANIUM, TIN, AND LEAD BIS(TRIMETHYLSILYL)AMIDO DERIVATIVES AND 2,2,6,6- TETRAMETHYLPIPERIDIDO AND N-ISOPROPYLPHENYLAMIDO DERVATIVES OF POTASSIUM AND CALCIUM 15 1. Introduction 15 2. Potassium (2,2,6,6-tetramethylpiperidide), bis(2,2,6,6- tetramethylpiperidido) (N,N,N’,N’ -tetramethylethylenediamine)calcium(II), potassium (N-isopropylanilido), and bis(N-isopropylanilido) Tris (tetrahydrofuran)calcium(II) 18 A. Potassium 2,2,6,6-tetramethylpiperidide 19 B. Diiodotetrakis(tetrahydrofuran)calcium(II) 20 C. Bis(2,2,6,6-tetramethylpiperidido)(N,N,N’,N’- tetramethylethylenediamine)calcium(II) 20 D. Potassium N-{isopropyl(phenyl)amide} (Potassium N-isopropylanilide) 21 E. Bis{N-isopropyl(phenyl)amido}tris(tetrahydrofuran)calcium(II) 22 F. Bis[{bis(tetrahydrofuran)potassium}bis{μ-N(isopropyl)(phenyl) amido}]calcium(II) 22 3. Bis{bis(trimethylsilyl)amido}calcium(II) dimer, [Ca{N(SiMe3)2}2]2, and bis {bis(trimethylsilyl)amido}strontium(II) dimer, [Sr{N(SiMe3)2}2]2 24 A. Bis{bis(trimethylsilyl)amido}calcium(II) dimer, [Ca{N(SiMe3)2}2]2,and bis{bis(trimethylsilyl)amido}strontium(II) dimer, [Sr{N(SiMe3)2}2]2 25 4. Divalent Group 14 metal bis(trimethylsilylamides), M{N(SiMe3)2}2 (M = Ge, Sn, Pb) 26 A. Bis{bis(trimethylsilyl)amido}germanium(II), Ge{N(SiMe3)2}2 27 B. Bis{bis(trimethylsilyl)amido}tin(II), Sn{N(SiMe3)2}2 28 C. Bis{bis(trimethylsilyl)amido}lead(II), Pb{N(SiMe3)2}2 29 Chapter Three COMPOUNDS WITH Zn–Zn AND Mg–Mg BONDS: DECAMETHYLDIZINCOCENE AND β-DIKETIMINATO COMPLEXES OF MAGNESIUM(I) AND (II) 33 1. Introduction 33 2. Pentamethylcyclopentadienyl zinc(I) dimer, {Zn(η5-C5Me5)}2 37 A. Pentamethylcyclopentadienyl potassium 38 B. Bis(pentamethylcyclopentadienyl)zinc(II) 38 C. Bis(pentamethylcyclopentadienyl)dizinc(I) 39 3. β-diketiminato complexes of magnesium(I)/(II) 40 A. {2,4-bis-(2,6-diisopropylphenylimido)pentyl}(diethylether) iodomagnesium(II), {HC(CMeNC6H3-2,6-Pri 2)2}MgI(OEt2) 41 B. {2,4-bis-(mesitylimido)pentyl}(diethylether) iodidomagnesium(II),{HC(CMeNC6H2-2,4,6-Me3)2}MgI(OEt2) 42 C. Bis{2,4-bis-(2,6-diisopropylphenylimido)pentyl}dimagnesium(I) [{HC(CMeNC6H3-2,6-Pri 2)2}2Mg]2 43 D. Bis{2,4-bis-(mesitylimido)pentyl}dimagnesium(I), [{HC(CMeN(C6H2-2,4,6-Me3)}Mg]2 44 Chapter Four STERICALLY CROWDED σ- AND π-BONDED METAL ARYL COMPLEXES 47 1. Introduction 47 2. Dimesityliron(II) dimer and dimesityldipyridineiron(II) (Mes = Mesityl = C6H2-2,4,6-Me3) 50 A. Tetramesityldiiron(II) dimer (FeMes2)2 (Mes = 2,4,6-trimethylphenyl) 51 B. Dimesityldi(pyridine)iron(II) FeMes2py2 (py = C5H5N) 54 3. Homoleptic, two-coordinate open-shell 2,6-dimesitylphenyl complexes of lithium, manganese, iron, and cobalt 56 A. 1-Iodo-2,6-bis(2,4,6-trimethylphenyl)benzene, 2,6-dimesitylphenyl iodide 57 B. Bis{μ-2,6-bis(2,4,6-trimethylphenyl)phenyl}dilithium, 2,6-dimesitylphenyllithium dimer 58 C. Bis{2,6-bis(2,4,6-trimethylphenyl)phenyl}manganese(II), (bis(2,6-dimesitylphenyl)manganese(II)) 59 D. Bis{2,6-bis(2,4,6-trimethylphenyl)phenyl}iron(II), bis(2,6-dimesitylphenyl)iron(II) 59 E. Bis{2,6-bis(2,4,6-trimethylphenyl)phenyl}cobalt(II),bis(2,6-dimesitylphenyl)cobalt(II) 60 4. Monomeric group 14 diaryls bis{2,6-bis(2,4,6-trimethylphenyl)phenyl} germanium(II), tin(II), or lead(II), M{C6H3-2,6-Mes2)2 and bis{2,6-bis(2,6- diisopropylphenyl)phenyl}germanium(II), tin(II), or lead(II), M{C6H3-2,6-Dipp2}2 (M = Ge, Sn, or Pb; Mes = C6H2-2,4,6-Me3;Dipp = C6H3-2,6-Pri2) 61 5. m-terphenylgallium chloride complexes 65 A. {Bis(diethylether)lithium}{trichlorido(2,6-diphenyl)phenylgallate}, {Li(Et2O)2}{(C6H3-2,6-Ph2)GaCl3} 66 B. Chlorido{bis(2,6-dimesitylphenyl)}gallium, (2,6-Mes2C6H3)2GaCl 67 6. {(18-crown-6)bis(tetrahydrofuran)potassium}{bis(1,2,3,4-η4-anthracene)metallates} of cobalt(-I) and iron(-I),{K(18-crown-6)(THF)2} {M(η4-C14H10)2}, M= Co, Fe 67 A. {(18-crown-6)bis(tetrahydrofuran)potassium}{bis(1,2,3,4-η4-anthracene)cobaltate}, {K(18-crown-6)(THF)2}{Co(C14H10)2} 69 B. {(18-crown-6)bis(tetrahydrofuran)potassium}{bis(1,2,3,4-η4-anthracene)ferrate}, {K(18-crown-6)(THF)2}{Fe(C14H10)2} 70 7. {Bis(1,2-dimethoxyethane)potassium}{bis(1,2,3,4-η4-anthracene) cobaltate}, {K(DME)2}{Co(η4-C14H10)2} 72 8. Cyclopentadienyl and pentamethylcyclopentadienyl naphthalene ferrates 76 A. Bis(tetrahydrofuran)lithium cyclopentadienyl(1,2,3,4-η4-napthalene) ferrate, [{Li(thf)2}{CpFe(η4-C10H8)}] 78 B. (18-crown-6)potassium pentamethylcyclopentadienyl(1,2,3,4-η4- napthalene)ferrate, [K(18-crown-6){Cp∗Fe(η4-C10H8)}] 79 Chapter Five TERPHENYL LIGANDS AND COMPLEXES 85 1. Introduction 85 2. m-Terphenyl iodo and lithium reagents featuring 2,6-bis-(2,6- diisopropylphenyl) substitution patterns and an m-terphenyl lithium etherate featuring the 2,6-bis-(2,4,6-triisopropylphenyl) substitution pattern 89 A. 1-bromo-2,6-diisopropylbenzene, 1-Br-2,6-Pri2C6H3;DippBr) 90 B. 1-iodo-2,6-bis(2,6-diisopropylphenyl)benzene (IC6H3-2,6-Dipp2) 92 C. Bis{2,6-bis(2,6-diisopropylphenyl)phenyl}dilithium,(LiC6H3-2,6-Dipp2)2 94 D. 2,6-bis(2,6-diisopropylphenyl)phenyllithiumetherate 95 E. 2,6-bis(2,4,6-triisopropylphenyl)phenyllithiumetherate{(Et2O)LiC6H3-2,6-Trip2} 96 3. 2,6-dimesitylaniline (H2NC6H3-2,6-Mes2) and 2,6-bis(2,4,6- triisopropylphenyl)aniline (H2NC6H3-2,6-Trip2) 98 A. 2,6-dimesitylphenylazide, 2,6-Mes2C6H3N 99 B. 2,6-dimesitylaniline, 2,6-Mes2C6H3NH2 100 C. 2,6-bis(2,4,6-triisopropylphenyl)iodobenzene, 2,6-Trip2C6H3I 101 D. 2,6-bis(2,4,6-triisopropylphenyl)azidobenzene,2,6-Trip2C6H3N3 102 E. 2,6-bis(2,4,6-triisopropylphenyl)aniline, 2,6-Trip2C6H3NH2 103 4. Bis-2,6-(2,6-diisopropylphenyl)aniline 105 A. 1-azido-bis-2,6-(2,6-diisopropylphenyl)benzene,2,6-Dipp2H3C6N3 106 B. Bis-2,6-(2,6-diisopropylphenyl)aniline, 2,6-Dipp2H3C6NH2 107 5. Bis-2,6-(2,4,6-trimethylphenyl)phenylformamide and isocyanide,Bis-2,6-(2,6-diisopropylphenyl)phenylformamide and isocyanide 109 A. 2,6-dimesitylphenyl formamide {2,6-Mes2H3C6N(H)C(O)H} 110 B. 2,6-dimesitylphenyl isocyanide (2,6-Mes2H3C6NC) 111 C. 2,6-bis-(diisopropylphenyl)phenyl formamide{2,6-Dipp2H3C6N(H)C(O)H} 112 D. 2,6-bis-(diisopropylphenyl)phenyl isocyanide (2,6-Dipp2H3C6NC) 113 6. Synthesis of the terphenylthiols: 2,6-bis(2,6-diisopropylphenyl)phenylthiol,2,6-bis(2,4,6-triisopropylphenyl)phenylthiol, and bis{2,6-bis(2,4,6-triisopropylphenyl)phenylthiolato}dilithium 116 A. 2,6-bis(2,6-diisopropylphenyl)phenylthiol 117 B. 2,6-bis(2,4,6-triisopropylphenyl)phenylthiol 118 C. Bis{2,6-bis(2,4,6-triisopropylphenyl)phenylthiolato}dilithium 119 7. Sterically encumbered terphenols: 2,6-bis(2,4,6-trimethylphenyl)phenol and 2,6-bis(2,6-diisopropylphenyl)phenol 120 A. 2,6-bis(2,6-diisopropylphenyl)phenol 121 B. Bis(2,4,6-trimethylphenyl)phenol 121 Chapter Six SYNTHETIC ROUTES TO WHITE PHOSPHORUS (P4) AND ARSENIC TRIPHOSPHIDE (AsP3) 123 1. Introduction 123 2. Facile preparation of white phosphorus from red phosphorus:Preparation A 125 3. Synthesis of white phosphorus (P4) from red phosphorus:Preparation B 127 4. Arsenic triphosphide, AsP3 130 A. Tris(2,6-diisopropylphenoxy)niobiumdichloride {Cl2Nb(ODipp)3} and Tris(2,6-diisopropylphenoxy)niobiumdichloride(tetrahydrofuran) {Cl2Nb(ODipp)3(THF)} 131 B. {Na(THF)3}{P3Nb(ODipp)3} 132 C. Arsenic Triphosphide AsP3 133 Chapter Seven SYNTHETIC ROUTES TO PHOSPHIDO AND ARSENIDO DERIVATIVES OF THE GROUP 13 METALS ALUMINUM, GALLIUM, AND INDIUM, TRIS(TERT-BUTYL)GALLIUM AND ITS REACTIONS WITH AMMONIA, AND THE ALUMINUM(I) SPECIES PENTAMETHYLCYCLOPENTADIENYL ALUMINUM TETRAMER 135 1. Introduction 135 2. Dinuclear phosphido and arsenido derivatives of aluminum, gallium, and indium {Me2M(μ-EBut2)}2, M= Al, Ga, In; E = P, As 137 A. Preparation of {Me2M(μ-EBut2)}2 Complexes: M= Al,Ga, In; E = P, As 138 3. Tris(tert-butyl)gallane, its ammonia complex, and the amidobis(tert-butyl)gallane trimer tris(μ-amido)hexa(tert-butyl)trigallium 140 A. Tri-tert-butylgallane 141 B. Ammonia complex of tri-tert-butylgallane 142 C. Tris(μ-amido)hexa-tert-butyltrigallium: The trimer {But2Ga (μ-NH2)}3 143 4. Reductive elimination as a convenient pathway to tetrameric (η5-pentamethylcyclopentadienyl)aluminum(I) {(AlCp∗)4} (Cp∗ = η5-C5Me5) 144 A. Potassium pentamethylcyclopentadienide KCp∗ 146 B. Bis(pentamethylcyclopentadienyl)aluminumhydride (Cp∗2AlH) 146 C. Tetrameric (η5-pentamethylcyclopentadienyl)aluminum(I){(AlCp∗)4} 147 5. A facile synthesis of tetrameric (ƞ5-pentamethylycycloclopentadienyl) aluminum(I) {Al(ƞ5-C5Me5)}4 147 A. (ƞ5-pentamethylcyclopentadienyl)aluminumdichloride 149 B. Tetrameric (ƞ5-pentamethylcyclopentadienyl)aluminum(I) (AlCp∗)4 149 6. Tris(pentafluorophenyl)aluminum(toluene): Al(C6F5)3(C7H8) 150 A. Tris(pentafluorophenyl)aluminum(toluene) 151 Chapter Eight SYNTHESIS OF SELECTED TRANSITION METAL AND MAIN GROUP COMPOUNDS WITH SYNTHETIC APPLICATIONS 155 1. Introduction 155 2. Synthesis of gold(I) and gold(II) amidinate complexes 157 A. Synthesis of gold(I) amidinate complexes 158 B. Synthesis of gold(II) amidinate complexes 161 3. A nickel–iron thiolate and its hydride 166 A. (1,2-bis(diphenylphosphino)ethane)(1,3-propanedithiolato) nickel(II) 167 B. (1,2-bis(diphenylphosphino)ethane)nickel(I)(μ-1,3- propanedithiolato)tricarbonyliron(I) 168 C. (1,2-bis(diphenylphosphino)ethane)nickel(II)(μ-hydrido)(μ-1,3-propanedithiolato)tricarbonyliron(II) tetrafluoroborate 169 4. Dimethyl sulfoxide and organophosphine complexes of ruthenium(II) halides 171 A. cis-tetrakis(dimethylsulfoxide)ruthenium(II)dichloride 172 B. cis-bis{1,2-bis(diphenylphosphino)ethane}ruthenium(II) dichloride 174 C. Bis{1,2-bis(diphenylphosphino)ethane}chlororuthenium(II) hexafluorophosphate 174 D. trans-bis{1,2-bis(diphenylphosphino)ethane}ruthenium(II) dichloride 176 5. Synthesis of {CrIII(NCMe)6}(BF4)3 and {CrIII(NCMe)5F} (BF4)2•MeCN 177 A. Hexakis(acetonitrile)chromium(III) tetrafluoroborate, {CrIII(NCMe)6}(BF4)3 177 B. Pentakis(acetonitrile)fluorido chromium(III) tetrafluoroborate, {CrIIIF(NCMe)5}(BF4)2 178 6. (1R,2R-diaminocyclohexane)oxalatoplatinum(II), oxaliplatin 179 7. Tris(dibenzylideneacetone)dipalladium(0) 183 A. Synthesis of Pd2dba3·CHCl3 185 B. Purity determination and repurification of Pd2dba3 186 C. Stability 187 8. Tetraalkylammonium salts of tetra(fluoroaryl)borate anions 188 A. Tetraalkylammonium salts of [B(C6F5)4]− 189 B. Tetraalkylammonium salts of [B{C6H3-3,5-(CF3)2}4]− 191 9. Titanium tris(N-tert-butyl, 3,5-dimethylanilide) 193 10. Tetrachlorido(tetramethylethylenediamine)tantalum(IV),TaCl4(TMEDA) 196 A. Tetrachlorido(tetramethylethyenediamine)tantalum(IV),TaCl4(TMEDA) 197 11. Synthesis of 1,3,5-tri-tert-butylcyclopenta-1,3-diene and its metal complexes Na{1,2,4-(Me3C)3C5H2} and Mg{η5-1,2,4-(Me3C)3C5H2}2 199 A. Method A (Phase Transfer) 199 B. Method B (Grignard Procedure) 201 C. Sodium(1,2,4-tri-tert-butyl)cyclopentadienide 203 D. Magnesium(II)bis(1,2,4-tri-tert-butyl)cyclopentadienide 203 Cumulative Contributor Index 205 Cumulative Subject Index 215 Cumulative Formula Index 245

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Book SynopsisProvides clear and comprehensive coverage of recently developed applied biocatalysis for synthetic organic chemists with an emphasis to promote green chemistry in pharmaceutical and process chemistry This book aims to make biocatalysis more accessible to both academic and industrial synthetic organic chemists. It focuses on current topics within the applied industrial biocatalysis field and includes short but detailed experimental methods on timely novel biocatalytic transformations using new enzymes or new methodologies using known enzymes. The book also features reactions that are expanding and making the enzyme toolbox available to chemistsproviding readers with comprehensive methodology and detailed key sourcing information of a wide range of enzymes. Chapters in Applied Biocatalysis: The Chemist's Enzyme Toolkit are organized by reaction type and feature a short introductory section describing the current state of the art for each example. Much of thTable of ContentsAbbreviations xi 1 Directed Evolution of Enzymes Driving Innovation in API Manufacturing at GSK 1 1.1 Introduction 1 1.2 Drug Development Stages 3 1.3 Enzyme Panels 6 1.4 Enzyme Engineering 10 1.5 Case Studies 18 1.6 Outlook 22 2 Survey of Current Commercial Enzyme and Bioprocess Service Providers 27 2.1 Commercial Enzyme Suppliers/Distributors 28 2.2 Bioprocess Service Providers 92 2.3 Chemical Transformations of Selected Commercially Available Enzymes 103 3 Imine Reductases 135 3.1 Imine Reductase-Catalysed Enantioselective Reductive Amination for the Preparation of a Key Intermediate to Lysine-Specific Histone Demethylase 1 (LSD1) Inhibitor GSK2879552 135 3.2 Expanding the Collection of Immine Reductases Towards a Stereoselective Reductive Amination 138 3.3 Asymmetric Synthesis of the Key Intermediate of Dextromethorphan Catalysed by an Imine Reductase 143 3.4 Identification of Imine Reductases for Asymmetric Synthesis of 1-Aryl-Tetrahydroisoquinolines 148 3.5 Preparation of Imine Reductases at 15 L Scale and Their Application in Asymmetric Piperazine Synthesis 156 3.6 Screening of Imine Reductases and Scale-Up of an Oxidative Deamination of an Amine for Ketone Synthesis 162 4 Transaminases 165 4.1 A Practical Dynamic Kinetic Transamination for the Asymmetric Synthesis of the CGRP Receptor Antagonist Ubrogepant 165 4.2 Asymmetric Biosynthesis of L-Phosphinothricin by Transaminase 168 4.3 Application of In Situ Product Crystallisation in the Amine Transaminase from Silicibacter pomeroyi-Catalysed Synthesis of (S)-1-(3-Methoxyphenyl)ethylamine 173 4.4 Enantioselective Synthesis of Industrially Relevant Amines Using an Immobilised ω-Transaminase 178 4.5 Amination of Sugars Using Transaminases 182 4.6 Converting Aldoses into Valuable ω-Amino Alcohols Using Amine Transaminases 187 5 Other Carbon–Nitrogen Bond-Forming Biotransformations 193 5.1 Biocatalytic N-Acylation of Anilines in Aqueous Media 193 5.2 Enantioselective Enzymatic Hydroaminations for the Production of Functionalised Aspartic Acids 196 5.3 Biocatalytic Asymmetric Aza-Michael Addition Reactions and Synthesis of L-Argininosuccinate by Argininosuccinate Lyase ARG4-Catalysed Aza-Michael Addition of L-Arginine to Fumarate 204 5.4 Convenient Approach to the Biosynthesis of C2,C6-Disubstituted Purine Nucleosides Using E. coli Purine Nucleoside Phosphorylase and Arsenolysis 211 5.5 Production of L- and D-Phenylalanine Analogues Using Tailored Phenylalanine Ammonia-Lyases 215 5.6 Asymmetric Reductive Amination of Ketones Catalysed by Amine Dehydrogenases 221 5.7 Utilisation of Adenylating Enzymes for the Formation of N-Acyl Amides 231 6 Carbon–Carbon Bond Formation or Cleavage 237 6.1 Improved Enzymatic Method for the Synthesis of (R)-Phenylacetyl Carbinol 237 6.2 Tertiary Alcohol Formation Catalysed by a Rhamnulose-1-Phosphate Aldolase : Dendroketose-1-Phosphate Synthesis 241 6.3 Easy and Robust Synthesis of Substituted L-Tryptophans with Tryptophan Synthase from Salmonella enterica 247 6.4 Biocatalytic Friedel–Crafts-Type C-Acylation 250 6.5 MenD-Catalysed Synthesis of 6-Cyano-4-Oxohexanoic Acid 256 6.6 Production of (R)-2-(3,5-Dimethoxyphenyl)propanoic Acid Using an Aryl Malonate Decarboxylase from Bordetella bronchiseptica 259 7 Reductive Methods 263 7.1 Synthesis of Vibegron Enabled by a Ketoreductase Rationally Designed for High-pH Dynamic Kinetic Reduction 263 7.2 Synthesis of a GPR40 Partial Agonist Through a Kinetically Controlled Dynamic Enzymatic Ketone Reduction 265 7.3 Lab-Scale Synthesis of Eslicarbazepine 267 7.4 Direct Access to Aldehydes Using Commercially Available Carboxylic Acid Reductases 270 7.5 Preparation of Methyl (S)-3-Oxocyclohexanecarboxylate Using an Enoate Reductase 277 8 Oxidative Methods 281 8.1 Macrocyclic Baeyer–Villiger Monooxygenase Oxidation of Cyclopentadecanone on 1 L Scale 281 8.2 Regioselective Lactol Oxidation with O2 as Oxidant on 1 L Scale Using Alcohol Dehydrogenase and NAD(P)H Oxidase 286 8.3 Synthesis of (3R)-4-[2-Chloro-6-[[(R)-Methylsulphinyl]methyl]-Pyrimidin-4-yl]-3-Methyl-Morpholine Using BVMO-P1-D08 291 8.4 Oxidation of Vanillyl Alcohol to Vanillin with Molecular Oxygen Catalysed by Eugenol Oxidase on 1 L Scale 295 8.5 Synthesis of Syringaresinol from 2,6-Dimethoxy-4-Allylphenol Using an Oxidase/Peroxidase Enzyme System 301 8.6 Biocatalytic Preparation of Vanillin Catalysed by Eugenol Oxidase 308 8.7 Vanillyl Alcohol Oxidase-Catalysed Production of (R)-1-(4′-Hydroxyphenyl) Ethanol 312 8.8 Enzymatic Synthesis of Pinene-Derived Lactones 319 8.9 Enzymatic Preparation of Halogenated Hydroxyquinolines 326 9 Hydrolytic and Dehydratase Enzymes 333 9.1 Synthesis of (S)-3-(4-Chlorophenyl)-4-Cyanobutanoic Acid by a Mutant Nitrilase 333 9.2 Nitrilase-Mediated Synthesis of a Hydroxyphenylacetic Acid Substrate via a Cyanohydrin Intermediate 337 9.3 Production of (R)-2-Butyl-2-Ethyloxirane Using an Epoxide Hydrolase from Agromyces mediolanus 339 9.4 Preparation of (S)-1,2-Dodecanediol by Lipase-Catalysed Methanolysis of Racemic Bisbutyrate Followed by Selective Crystallisation 344 9.5 Biocatalytic Synthesis of n-Octanenitrile Using an Aldoxime Dehydratase from Bacillus sp. OxB-1 349 9.6 Access to (S)-4-Bromobutan-2-ol through Selective Dehalogenation of rac-1,3-Dibromobutane by Haloalkane Dehalogenase 354 10 Glycosylation, Sulphation and Phosphorylation 363 10.1 Rutinosidase Synthesis of Glycosyl Esters of Aromatic Acids 363 10.2 Biocatalytic Synthesis of Kojibiose Using a Mutant Transglycosylase 369 10.3 Biocatalytic Synthesis of Nigerose Using a Mutant Transglycosylase 377 10.4 Easy Sulphation of Phenols by a Bacterial Arylsulphotransferase 381 10.5 Shikimate Kinase-Catalysed Phosphorylations and Synthesis of Shikimic Acid 3-Phosphate by AroL-Catalysed Phosphorylation of Shikimic Acid 386 10.6 Kinase-Catalysed Phosphorylations of Ketohexose Phosphates and LacC-Catalysed Synthesis of D-Tagatose 1,6-Diphosphate Lithium Salt 393 10.7 Kinase-Catalysed Phosphorylations of Xylulose Substrates and Synthesis of Xylulose-5-Phosphate Enantiomers 397 10.8 Phosphoramidates by Kinase-Catalysed Phosphorylation and Arginine Kinase-Catalysed Synthesis of Nω-Phospho-L-Arginine 401 11 Enzymatic Cascades 409 11.1 Redox-Neutral Ketoreductase and Imine Reductase Enzymatic Cascade for the Preparation of a Key Intermediate of the Lysine-Specific Histone Demethylase 1 (LSD1) Inhibitor GSK2879552 409 11.2 Asymmetric Synthesis of α-Amino Acids through Formal Enantioselective Biocatalytic Amination of Carboxylic Acids 413 11.3 Enantioselective, Catalytic One-Pot Synthesis of γ-Butyrolactone-Based Fragrances 420 11.4 Synthesis of Six out of Eight Carvo-Lactone Stereoisomers via a Novel Concurrent Redox Cascade Starting from (R)-and (S)-Carvones 426 11.5 One-Pot Biocatalytic Synthesis of D-Tryptophan Derivatives from Substituted Indoles and L-Serine 435 11.6 Escherichia coli Lysate Multienzyme Biocatalyst for the Synthesis of Uridine-5’-Triphosphate from Orotic Acid 4 and Ribose 1 441 11.7 Aerobic Synthesis of Aromatic Nitriles from Alcohols and Ammonia Using Galactose Oxidase 449 11.8 Hydrogen-Borrowing Conversion of Alcohols into Optically Active Primary Amines by Combination of Alcohol Dehydrogenases and Amine Dehydrogenases 455 11.9 Ene-Reductase-Mediated Reduction of C=C Double Bonds in the Presence of Conjugated C≡C Triple Bonds: Synthesis of (S)-2-Methyl-5-Phenylpent-4-Yn-1-Ol 468 12 Chemo-Enzymatic Cascades 475 12.1 Synergistic Nitroreductase/Vanadium Catalysis for Chemoselective Nitroreductions 475 12.2 Chemo-Enzymatic Synthesis of (S)-1,2,3,4-Tetrahydroisoquinoline Carboxylic Acids Using D-Amino Acid Oxidase 482 12.3 Amine Oxidase-Catalysed Deracemisation of (R,S)-4-Cl-Benzhydrylamine into the (R)-Enantiomer in the Presence of a Chemical Reductant 488 12.4 Asymmetric Synthesis of 1-Phenylpropan-2-Amine from Allylbenzene through a Sequential Strategy Involving a Wacker–Tsuji Oxidation and a Stereoselective Biotransamination 497 12.5 Chemoenzymatic Synthesis of (2S,3S)-2-Methylpyrrolidin-3-Ol 504 13 Whole-Cell Procedures 509 13.1 Semipreparative Biocatalytic Synthesis of (S)-1-Amino-1-(3’-Pyridyl)methylphosphonic Acid 509 13.2 Practical and User-Friendly Procedure for the Regio- and Stereoselective Hydration of Oleic, Linoleic and Linolenic Acids, Using Probiotic Lactobacillus Strains as Whole-Cell Biocatalysts 515 13.3 Clean Enzymatic Oxidation of 12α-Hydroxysteroids to 12-Oxo-Derivatives Catalysed by Hydroxysteroid Dehydrogenase 521 13.4 Whole-Cell Biocatalysis Using PmlABCDEF Monooxygenase and Its Mutants: A Versatile Toolkit for Selective Synthesis of Aromatic N-Oxides 528 Index 535

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Book SynopsisAlginate is a hydrophilic, biocompatible, biodegradable, and relatively economical polymer generally found in marine brown algae. The modification in the alginate molecule after polymerization has shown strong potential in biomedical, pharmaceutical and biotechnology applications such as wound dressing, drug delivery, dental treatment, in cell culture and tissue engineering. Besides this, alginates have industrial applications too in the paper and food industries as plasticizers and additives. The few books that have been published on alginates focus more on their biology. This current book focuses on the exploration of alginates and their modification, characterization, derivatives, composites, hydrogels as well as the new and emerging applications.Table of ContentsPreface xv Part 1: Alginates—Introduction, Characterization and Properties 1 1 Alginates: General Introduction and Properties 3Rutika Sehgal, Akshita Mehta and Reena Gupta 1.1 Introduction 4 1.2 History 4 1.3 Structure 4 1.4 Alginates and Their Properties 6 1.4.1 Gel Formation 6 1.4.1.1 Ionic Alginate Gels 6 1.4.1.2 Alginic Acid Gels 8 1.4.2 Molecular Weight 8 1.4.3 Solubility and Viscosity 8 1.4.4 Ionic Cross-Linking 9 1.4.5 Chemical Properties 9 1.5 Sources 11 1.6 Biosynthesis of Bacterial Alginate 11 1.6.1 Precursor Synthesis 12 1.6.2 Polymerization and Cytoplasmic Membrane Transfer 13 1.6.3 Periplasmic Transfer and Modification 15 1.6.3.1 Transacetylases 15 1.6.3.2 Mannuronan C 5-Epimerases 16 1.6.3.3 Lyases 16 1.6.5 Export through the Outer Membrane 16 1.7 Conclusion 16 Acknowledgment 17 Conflict of Interests 17 References 17 2 Alginates Production, Characterization and Modification 21Pintu Pandit, T. N. Gayatri and Baburaj Regubalan 2.1 Introduction 22 2.2 Alginate: Production 24 2.2.1 Screening of Alginate-Producing Microbes 24 2.2.2 Production of Alginate by Bacteria 25 2.2.3 Production of Alginate by Pseudomonas 26 2.2.4 Production of Alginate by Azotobacter spp. 26 2.2.5 Influence of Medium Components 26 2.2.5.1 Effect of Nutrients on Bacterial Alginate Production 26 2.2.5.2 Effect of Phosphate on Bacterial Alginate Production 27 2.2.5.3 Effect of Dissolved Oxygen on Bacterial Alginate Production 27 2.2.5.4 Effect of Agitation in the Medium for the Production of Alginate 27 2.2.6 Commercial Production of Alginate 28 2.3 Characterization of Physicochemical Properties of Alginate 28 2.3.1 Composition of Alginate Polymer Chains 29 2.3.2 XRD, FTIR, and NMR Spectroscopy for Alginate Structure Analysis 31 2.3.3 Rheology and Mechanical Characterization of Alginate Gels and Solutions 32 2.4 Modification of Alginates 33 2.4.1 Chemical Modification 33 2.4.2 Oxidation 34 2.4.3 Sulfation 34 2.4.4 Phosphorylation 35 2.4.5 Graft Copolymerization 35 2.4.6 Esterification 35 2.4.7 Carbodiimide Coupling 36 2.4.8 Covalent Cross-Linking 36 2.5 Future Perspectives 38 2.6 Conclusions 39 References 39 3 Alginate: Recent Progress and Technological Prospects 45Tanvir Arfin and Kamini Sonawane 3.1 Introduction 45 3.2 Structure 46 3.3 Sources 47 3.4 Characteristics of Alginate Salts 48 3.5 Properties 48 3.6 Applications 50 3.7 Future Perspectives 53 3.8 Advantages 54 3.9 Disadvantages 54 3.10 Conclusion 54 Acknowledgments 55 References 55 4 Alginate Hydrogel and Aerogel 59Ajith James Jose, Kavya Mohan and Alice Vavachan 4.1 Introduction 59 4.2 Alginate Hydrogel 60 4.2.1 Preparation of Alginate Hydrogels 61 4.2.1.1 Ionic Cross-Linking 62 4.2.1.2 Covalent Cross-Linking 62 4.2.1.3 Thermal Gelation 62 4.2.1.4 Cell Cross-Linking 63 4.2.2 Biomedical Applications 63 4.2.2.1 Pharmaceutical Applications 63 4.2.3 Tissue Regeneration with Protein and Cell Delivery 68 4.2.3.1 Blood Vessels 68 4.2.3.2 Bones 69 4.2.3.3 Cartilage 69 4.2.3.4 Muscle, Nerve, Pancreas, and Liver 70 4.3 Alginate Aerogel 70 4.3.1 Properties of Alginate Aerogels 71 4.3.1.1 Bulk Density and Pore Volume 71 4.3.1.2 Specific Surface Area 71 4.3.1.3 Compressibility 71 4.3.1.4 Thermal Conductivity and Absorption 72 4.3.2 Preparative Methods 72 4.4 Future Perspectives 73 References 73 Part 2: Alginates in Biomedical Applications 79 5 Alginate in Biomedical Applications 81Luiz Pereira da Costa 5.1 Introduction 81 5.2 Chemical Structure and Properties of Alginate 83 5.3 Types of Interaction of Alginate 84 5.4 Biomedical Application of Alginates 87 5.5 Future Perspective of the Use and Biomedical Applications 90 References 90 6 Alginates in Pharmaceutical and Biomedical Application: A Critique 95Vivek Dave, Kajal Tak, Chavi Gupta, Kanika Verma and Swapnil Sharma 6.1 Introduction 95 6.2 Structure of Alginate 96 6.3 Different Types of Alginates Used in Pharmaceutical Industries 97 6.4 Properties of Alginate 98 6.5 Pathway for the Biosynthesis of Alginate 98 6.6 Regulatory Consideration of Alginate 100 6.7 Applications 100 6.7.1 Other Applications 113 6.8 Conclusion 114 References 115 7 Alginates in Evolution of Restorative Dentistry 125S.C. Onwubu, P.S. Mdluli, S. Singh and Y. Ngombane 7.1 Introduction 125 7.2 Method of Alginate Extraction 126 7.3 Evolution of Alginate in Restorative Dentistry 128 7.3.1 Problems with Conventional Alginate 129 7.3.2 Current Trends and Modification of Alginate 129 7.3.2.1 Extended Pour Time Alginate 130 7.3.2.2 Dust-Free Alginates 130 7.3.2.3 Infection-Free Alginates 132 7.3.2.4 High Viscosity Alginates 132 7.3.2.5 Alginates in Two Pastes Form 133 7.3.2.6 Tray Adhesive Alginates 133 7.4 The Art of Impression Taking Using Alginates 133 7.4.1 Selection of Impression Trays 134 7.4.2 Mixing and Loading Alginates 135 7.4.3 Preparation of the Oral Cavity before Impression Taking 135 7.4.4 Impression Taking Using Alginate Material 136 7.4.5 Removal and Inspection of Alginate Material 137 7.4.6 Effects of Cast Production Techniques 137 7.5 Conclusions 138 References 138 8 Alginates in Drug Delivery 141Srijita Basumallick 8.1 Introduction 141 8.2 Chemistry of Alginates 142 8.2.1 Hydrogel Formation by Alginates 143 8.2.1.1 Preparation of Hydrogel 143 8.3 Pharmaceutical and Biomedical Chemistry of Alginates 144 8.3.1 Factors Governing Drug Encapsulation and Drug Delivery Processes 145 8.3.1.1 Delivery and Encapsulation of Small Drugs 145 8.3.1.2 Macromolecular Drug Delivery by Alginates 148 8.4 Conclusions 149 Acknowledgments 149 References 149 9 Alginate in Wound Care 153Satyaranjan Bairagi and S. Wazed Ali 9.1 Introduction 154 9.2 Sources and Synthesis of Alginate 154 9.3 Physicochemical Properties of the Alginate Biopolymer 156 9.4 Biomedical Applications of Alginate 157 9.4.1 Alginate in Wound Care 158 9.4.1.1 Pure Alginate Polymer-Based Wound Dressing 160 9.4.1.2 Intercellular Mediators Incorporated Alginate Polymer-Based Wound Dressing 160 9.4.1.3 Zinc/Alginate- and Silver/Alginate-Based Wound Dressing 161 9.4.1.4 Chitosan/Alginate- and Collagen/Alginate-Based Wound Dressing 163 9.4.1.5 Alginate Fiber-Based Wound Dressing 163 9.4.1.6 Alginate Hydrogel-Based Wound Dressing 167 9.5 Opportunities and Future Thrust 172 References 173 10 Alginate-Based Biomaterials for Bio-Medical Applications 179Reena Antil, Ritu Hooda, Minakshi Sharm and Pushpa Dahiya 10.1 Introduction 180 10.2 Alginate: General Properties 180 10.2.1 Chemical Properties, Structure, and Characterization 181 10.3 Extraction and Preparation 182 10.3.1 Gelation and Cross-Linking of Alginate 183 10.3.2 Ionic Cross-Linking 184 10.3.3 External Gelation 184 10.3.4 Internal Gelation 185 10.3.5 Covalent Cross-Linking 185 10.3.6 Large Bead Preparation 186 10.3.7 Microbead Preparation 186 10.4 Alginate Hydrogels 187 10.5 Photocross-Linking 188 10.6 Shape-Memory Alginate Scaffolds 188 10.7 Biodegradation of Alginate 189 10.8 Biomedical Application of Alginates 190 10.8.1 Controlled Chemical and Protein Drug Delivery 190 10.8.2 Wound/Injury Dressings 193 10.8.3 Cell Culture 194 10.8.4 Tissue Regeneration 195 References 196 Part 3: Alginates in Food Industry 205 11 Alginates for Food Packaging Applications 207Radhika Theagarajan, Sayantani Dutta, J.A. Moses and C. Anandharamakrishnan 11.1 Introduction 207 11.2 Biopolymer in Food Industry 208 11.3 Alginates in Food Packaging 209 11.4 Biosynthesis of Alginate 213 11.5 Application of Alginate in Formation of Biofilm 215 11.5.1 Preparation of Packaging Films 215 11.5.2 Role of Alginate in Biofilm Formation 215 11.6 Packaging Properties of Alginate 217 11.6.1 Thermostability of Alginate Packaging 218 11.6.2 Water Solubility 218 11.6.3 Water Vapor Permeability 218 11.6.4 Tensile Strength 218 11.6.5 Oxygen Permeability 219 11.6.6 Barrier Property 219 11.6.7 Antimicrobial Activity 219 11.7 Effect of Alginate on the Quality of Food 222 11.8 Interaction between Food and Alginates 223 11.9 Environmental Effects on Alginate Packaging 224 11.10 Market Outlook 224 11.11 Conclusion 225 References 226 12 Potential Application of Alginates in the Beverage Industry 233S. Vijayalakshmi, S.K. Sivakamasundari, J.A. Moses and C. Anandharamakrishnan 12.1 Introduction 233 12.2 Alginate Source 234 12.3 Extraction of Alginates 235 12.4 Physical, Chemical and Functional Properties of Alginate 236 12.5 Uses as a Food Additive/Ingredient 241 12.6 Alginate as Stabilizer 245 12.7 As Encapsulating Wall Material 247 12.7.1 Immobilization of Biocatalysts 249 12.7.2 Probiotics 250 12.7.3 Improvement of the Alginate Encapsulation: Prebiotics Addition 253 12.8 Conclusion 254 References 254 13 Alginates in Comestibles 263Ashwini Ravi, S. Vijayanand, Velu Rajeshkannan, S. Aisverya, K. Sangeetha, P.N. Sudha and J. Hemapriya 13.1 Introduction 264 13.2 Alginates in Agricultural Marketing 265 13.3 Use of Alginates in Food Industry 266 13.3.1 Thickeners and Gelling Agents 267 13.3.2 Stabilizers and Emulsifiers 268 13.3.3 Texturizers 269 13.3.4 Encapsulation 269 13.3.5 Food Coating 270 13.4 Use of Alginates for Pets 271 13.5 Effect of Dietary Alginates 271 13.6 Alginate Safety 272 13.7 Conclusion 272 References 272 Part 4: Alginates Future Prospects 281 14 Alginates: Current Uses and Future Perspective 283Ashwini Ravi, S. Vijayanand, G. Ramya, A. Shyamala, Velu Rajeshkannan, S. Aisverya, P.N. Sudha and J. Hemapriya 14.1 Introduction 284 14.2 Sources of Alginate Synthesis 285 14.2.1 Brown Seaweeds 285 14.2.2 Bacteria 287 14.3 Synthesis of Alginate 288 14.3.1 Alginate Biosynthesis Gene 289 14.4 Properties of Alginates 290 14.4.1 Molecular Weight 290 14.4.2 Solubility 291 14.4.3 Stability 291 14.4.4 Ionic Binding Property 292 14.4.5 Gel Formation Ability 293 14.4.6 Biological Properties 293 14.5 Application of Alginates 294 14.6 Future Perspectives of Alginates 295 14.6.1 3D-Based Cell Culture Systems 295 14.6.2 Impressions 296 14.6.3 Cell-Based Microparticles 296 14.6.4 Alginate Oligosaccharides 298 14.6.5 Drug Targeting 299 14.6.6 Nanoparticulate Systems 300 14.7 Conclusion 300 References 300 Index 313

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Book SynopsisMathematics for Enzyme Reaction Kinetics and Reactor Performance is the first set in a unique 11 volume-collection on Enzyme Reactor Engineering. This two volume-set relates specifically to the wide mathematical background required for systematic and rational simulation of both reaction kinetics and reactor performance; and to fully understand and capitalize on the modelling concepts developed. It accordingly reviews basic and useful concepts of Algebra (first volume), and Calculus and Statistics (second volume). A brief overview of such native algebraic entities as scalars, vectors, matrices and determinants constitutes the starting point of the first volume; the major features of germane functions are then addressed. Vector operations ensue, followed by calculation of determinants. Finally, exact methods for solution of selected algebraic equations including sets of linear equations, are considered, as well as numerical methods for utilization at large. The sTable of ContentsAbout the Author xv Series Preface xix Preface xxiii Volume 1 Part 1 Basic Concepts of Algebra 1 1 Scalars, Vectors, Matrices, and Determinants 3 2 Function Features 7 2.1 Series 17 2.1.1 Arithmetic Series 17 2.1.2 Geometric Series 19 2.1.3 Arithmetic/Geometric Series 22 2.2 Multiplication and Division of Polynomials 26 2.2.1 Product 27 2.2.2 Quotient 28 2.2.3 Factorization 31 2.2.4 Splitting 35 2.2.5 Power 43 2.3 Trigonometric Functions 52 2.3.1 Definition and Major Features 52 2.3.2 Angle Transformation Formulae 57 2.3.3 Fundamental Theorem of Trigonometry 73 2.3.4 Inverse Functions 79 2.4 Hyperbolic Functions 80 2.4.1 Definition and Major Features 80 2.4.2 Argument Transformation Formulae 85 2.4.3 Euler’s Form of Complex Numbers 89 2.4.4 Inverse Functions 90 3 Vector Operations 97 3.1 Addition of Vectors 99 3.2 Multiplication of Scalar by Vector 101 3.3 Scalar Multiplication of Vectors 103 3.4 Vector Multiplication of Vectors 111 4 Matrix Operations 119 4.1 Addition of Matrices 120 4.2 Multiplication of Scalar by Matrix 121 4.3 Multiplication of Matrices 124 4.4 Transposal of Matrices 131 4.5 Inversion of Matrices 133 4.5.1 Full Matrix 134 4.5.2 Block Matrix 138 4.6 Combined Features 140 4.6.1 Symmetric Matrix 141 4.6.2 Positive Semidefinite Matrix 142 5 Tensor Operations 145 6 Determinants 151 6.1 Definition 152 6.2 Calculation 157 6.2.1 Laplace’s Theorem 159 6.2.2 Major Features 161 6.2.3 Tridiagonal Matrix 177 6.2.4 Block Matrix 179 6.2.5 Matrix Inversion 181 6.3 Eigenvalues and Eigenvectors 185 6.3.1 Characteristic Polynomial 186 6.3.2 Cayley–Hamilton’s Theorem 190 7 Solution of Algebraic Equations 199 7.1 Linear Systems of Equations 199 7.1.1 Jacobi’s Method 203 7.1.2 Explicitation 212 7.1.3 Cramer’s Rule 213 7.1.4 Matrix Inversion 216 7.2 Quadratic Equation 220 7.3 Lambert’s W Function 224 7.4 Numerical Approaches 228 7.4.1 Double-initial Estimate Methods 229 7.4.1.1 Bisection 229 7.4.1.2 Linear Interpolation 232 7.4.2 Single-initial Estimate Methods 242 7.4.2.1 Newton and Raphson’s Method 242 7.4.2.2 Direct Iteration 250 Further Reading 255 Volume 2 Part 2 Basic Concepts of Calculus 259 8 Limits, Derivatives, Integrals, and Differential Equations 261 9 Limits and Continuity 263 9.1 Univariate Limit 263 9.1.1 Definition 263 9.1.2 Basic Calculation 267 9.2 Multivariate Limit 271 9.3 Basic Theorems on Limits 272 9.4 Definition of Continuity 280 9.5 Basic Theorems on Continuity 282 9.5.1 Bolzano’s Theorem 282 9.5.2 Weierstrass’ Theorem 286 10 Differentials, Derivatives, and Partial Derivatives 291 10.1 Differential 291 10.2 Derivative 294 10.2.1 Definition 294 10.2.1.1 Total Derivative 295 10.2.1.2 Partial Derivatives 300 10.2.1.3 Directional Derivatives 307 10.2.2 Rules of Differentiation of Univariate Functions 308 10.2.3 Rules of Differentiation of Multivariate Functions 325 10.2.4 Implicit Differentiation 325 10.2.5 Parametric Differentiation 327 10.2.6 Basic Theorems of Differential Calculus 331 10.2.6.1 Rolle’s Theorem 331 10.2.6.2 Lagrange’s Theorem 332 10.2.6.3 Cauchy’s Theorem 334 10.2.6.4 L’Hôpital’s Rule 337 10.2.7 Derivative of Matrix 349 10.2.8 Derivative of Determinant 356 10.3 Dependence Between Functions 358 10.4 Optimization of Univariate Continuous Functions 362 10.4.1 Constraint-free 362 10.4.2 Subjected to Constraints 364 10.5 Optimization of Multivariate Continuous Functions 367 10.5.1 Constraint-free 367 10.5.2 Subjected to Constraints 371 11 Integrals 373 11.1 Univariate Integral 374 11.1.1 Indefinite Integral 374 11.1.1.1 Definition 374 11.1.1.2 Rules of Integration 377 11.1.2 Definite Integral 386 11.1.2.1 Definition 386 11.1.2.2 Basic Theorems of Integral Calculus 393 11.1.2.3 Reduction Formulae 396 11.2 Multivariate Integral 400 11.2.1 Definition 400 11.2.1.1 Line Integral 400 11.2.1.2 Double Integral 403 11.2.2 Basic Theorems 404 11.2.2.1 Fubini’s Theorem 404 11.2.2.2 Green’s Theorem 409 11.2.3 Change of Variables 411 11.2.4 Differentiation of Integral 414 11.3 Optimization of Single Integral 416 11.4 Optimization of Set of Derivatives 424 12 Infinite Series and Integrals 429 12.1 Definition and Criteria of Convergence 429 12.1.1 Comparison Test 430 12.1.2 Ratio Test 431 12.1.3 D’Alembert’s Test 432 12.1.4 Cauchy’s Integral Test 434 12.1.5 Leibnitz’s Test 436 12.2 Taylor’s Series 437 12.2.1 Analytical Functions 451 12.2.1.1 Exponential Function 451 12.2.1.2 Hyperbolic Functions 458 12.2.1.3 Logarithmic Function 459 12.2.1.4 Trigonometric Functions 463 12.2.1.5 Inverse Trigonometric Functions 466 12.2.1.6 Powers of Binomials 476 12.2.2 Euler’s Infinite Product 479 12.3 Gamma Function and Factorial 488 12.3.1 Integral Definition and Major Features 489 12.3.2 Euler’s Definition 494 12.3.3 Stirling’s Approximation 499 13 Analytical Geometry 505 13.1 Straight Line 505 13.2 Simple Polygons 508 13.3 Conical Curves 510 13.4 Length of Line 516 13.5 Curvature of Line 525 13.6 Area of Plane Surface 530 13.7 Outer Area of Revolution Solid 536 13.8 Volume of Revolution Solid 552 14 Transforms 559 14.1 Laplace’s Transform 559 14.1.1 Definition 559 14.1.2 Major Features 571 14.1.3 Inversion 583 14.2 Legendre’s Transform 590 15 Solution of Differential Equations 597 15.1 Ordinary Differential Equations 597 15.1.1 First Order 598 15.1.1.1 Nonlinear 598 15.1.1.2 Linear 600 15.1.2 Second Order 602 15.1.2.1 Nonlinear 603 15.1.2.2 Linear 613 15.1.3 Linear Higher Order 650 15.2 Partial Differential Equations 660 16 Vector Calculus 667 16.1 Rectangular Coordinates 667 16.1.1 Definition and Representation 667 16.1.2 Definition of Nabla Operator, ∇ 668 16.1.3 Algebraic Properties of ∇ 673 16.1.4 Multiple Products Involving ∇ 676 16.1.4.1 Calculation of (∇.∇)ϕ 676 16.1.4.2 Calculation of (∇.∇)u 676 16.1.4.3 Calculation of ∇.(ϕu) 677 16.1.4.4 Calculation of ∇.(∇ × u) 679 16.1.4.5 Calculation of ∇.(ϕ∇ψ) 680 16.1.4.6 Calculation of ∇.(uu) 682 16.1.4.7 Calculation of ∇ × (∇ ϕ) 684 16.1.4.8 Calculation of ∇(∇.u) 685 16.1.4.9 Calculation of (u.∇)u 690 16.1.4.10 Calculation of ∇.(τ.u) 693 16.2 Cylindrical Coordinates 695 16.2.1 Definition and Representation 695 16.2.2 Redefinition of Nabla Operator, ∇ 700 16.3 Spherical Coordinates 705 16.3.1 Definition and Representation 705 16.3.2 Redefinition of Nabla Operator, ∇ 715 16.4 Curvature of Three-dimensional Surfaces 729 16.5 Three-dimensional Integration 737 17 Numerical Approaches to Integration 741 17.1 Calculation of Definite Integrals 741 17.1.1 Zeroth Order Interpolation 743 17.1.2 First- and Second-Order Interpolation 750 17.1.2.1 Trapezoidal Rule 751 17.1.2.2 Simpson’s Rule 754 17.1.2.3 Higher Order Interpolation 768 17.1.3 Composite Methods 771 17.1.4 Infinite and Multidimensional Integrals 775 17.2 Integration of Differential Equations 777 17.2.1 Single-step Methods 779 17.2.2 Multistep Methods 782 17.2.3 Multistage Methods 790 17.2.3.1 First Order 790 17.2.3.2 Second Order 790 17.2.3.3 General Order 793 17.2.4 Integral Versus Differential Equation 801 Part 3 Basic Concepts of Statistics 807 18 Continuous Probability Functions 809 18.1 Basic Statistical Descriptors 810 18.2 Normal Distribution 815 18.2.1 Derivation 816 18.2.2 Justification 821 18.2.3 Operational Features 826 18.2.4 Moment-generating Function 829 18.2.4.1 Single Variable 829 18.2.4.2 Multiple Variables 835 18.2.5 Standard Probability Density Function 842 18.2.6 Central Limit Theorem 845 18.2.7 Standard Probability Cumulative Function 855 18.3 Other Relevant Distributions 858 18.3.1 Lognormal Distribution 858 18.3.1.1 Probability Density Function 858 18.3.1.2 Mean and Variance 859 18.3.1.3 Probability Cumulative Function 862 18.3.1.4 Mode and Median 863 18.3.2 Chi-square Distribution 865 18.3.2.1 Probability Density Function 865 18.3.2.2 Mean and Variance 869 18.3.2.3 Asymptotic Behavior 870 18.3.2.4 Probability Cumulative Function 872 18.3.2.5 Mode and Median 873 18.3.2.6 Other Features 874 18.3.3 Student’s t-distribution 876 18.3.3.1 Probability Density Function 876 18.3.3.2 Mean and Variance 879 18.3.3.3 Asymptotic Behavior 883 18.3.3.4 Probability Cumulative Function 886 18.3.3.5 Mode and Median 887 18.3.4 Fisher’s F-distribution 888 18.3.4.1 Probability Density Function 888 18.3.4.2 Mean and Variance 893 18.3.4.3 Asymptotic Behavior 896 18.3.4.4 Probability Cumulative Function 899 18.3.4.5 Mode and Median 902 18.3.4.6 Other Features 903 19 Statistical Hypothesis Testing 915 20 Linear Regression 923 20.1 Parameter Fitting 924 20.2 Residual Characterization 927 20.3 Parameter Inference 931 20.3.1 Multivariate Models 931 20.3.2 Univariate Models 934 20.4 Unbiased Estimation 937 20.4.1 Multivariate Models 937 20.4.2 Univariate Models 940 20.5 Prediction Inference 949 20.6 Multivariate Correction 951 Further Reading 963

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Book SynopsisCeramic Transactions, Volume 264, Proceedings of the 12th Pacific Rim Conference on Ceramic and Glass Technology Dileep Singh, Manabu Fukushima, Young-Wook Kim, Kiyoshi Shimamura, Nobuhito Imanaka, Tatsuki Ohji, Jake Amoroso, and Michael Lanagan; Editors This proceedings contains a collection of 32 papers presented at the 12th Pacific Rim Conference on Ceramic and Glass Technology (PacRim12), May 21-26, 2017 in Waikoloa, Hawaii. PacRim is a bi-annual conference held in collaboration with the ceramic societies of the Pacific Rim countries - The American Ceramic Society, The Chinese Ceramic Society, The Korean Ceramic Society, and the Australian Ceramic Society. Topics included in this collection include multiscale modeling and simulation, processing and manufacturing, nanotechnology, multifunctional materials, ceramics for energy and the environment, biomedical materials, and moreTable of ContentsPreface xi MULTISCALE MODELING AND SIMULATION SYMPOSIUM 2: VIRTUAL MATERIALS DESIGN AND CERAMIC GENOME D° Ferromagnetism of SiC Ceramics 3Y. Huang, D. Jiang, and Z. Huang INOVATIVE PROCESSING AND MANUFACTURING SYMPOSIUM 3: NOVEL, GREEN, AND STRATEGIC PROCESSING AND MANUFACTURING TECHNOLOGIES Controlling Factors for Creating Dense SiC-Polycrystalline Fiber 11Ryutaro Usukawa and Toshihiro Ishikawa Eco-Friendly Synthesis of Graphene using High Pressure Airless Spray System 23Karanveer S. Aneja and Anand Khanna SYMPOSIUM 4: POLYMER DERIVED CERAMICS (PDCS) AND COMPOSITES Effect of Ion Implantation on a Precursor Polymer for Synthesis of Carbon Material with Catalytic Performance 33A. Idesaki, M. Sugimoto, S. Yamamoto, and T. Yamaki SYMPOSIUM 6: SYNTHESIS AND PROCESSING OF MATERIALS USING ELECTRIC CURRENTS AND PRESSURES Microstructure and Grain Size Distributions in Magnesia-Alumina Spinel Ceramics Prepared by Spark Plasma Sintering 41T. Uhlíová, V. Neina, Willi Pabst, and P. Diblíková SYMPOSIUM 7: POROUS CERAMICS Microstructure Characterization of Porous Ceramics via Minkowski Functionals 53W. Pabst, T. Uhlíová, and E. Gregorová Numerical Modeling of Elastic Modulus and Conductivity of Porous Alumina—Effects of Pore Shape, Pore Size Distribution and Pore Distance 65W. Pabst, E. Gregorová, and T. Uhlí ová Experimental Investigation and Analysis of Mechanical Properties of Three-Dimensionally Networked Porous Carbon Material 77Ryo Inoue, Geng Li, Eisuke Kojo, Miki Nakajima, Yuki Kubota, and Yasuo Kogo NANOTECHNOLOGY AND STRUCTURAL CERAMICS SYMPOSIUM 10: MULTIFUNCTIONAL NANOMATERIALS AND THEIR HETEROSTRUCTURES FOR ENERGY AND SENSING DEVICES Development of Miniature Generator Combined with Magnetic Ceramic Material and Silicon Micro Air TurbineK. Mishima, K. Kudo, M. Takato, K. Saito, and F. Uchikoba SYMPOSIUM 11: ENGINEERING CERAMICS: PROCESSING AND CHARACTERIZATIONS Temperature Dependence of Young’s Modulus of Silicate Ceramics from the Magnesia–Alumina–Silica System 99E. Gregorová, T. Smolíková, and W. Pabst Sintering, Structure and Properties of AlB12–Based Ceramics 111Prikhna, P. P. Barvitskiy, S. N. Dub, V. B. Sverdun, R. A. Haber, V. Domnich, . V. Karpets, S. S. Ponomaryov, V. E. Moshchil, and V. B. Muratov High Dielectric Strength Ceramic for Power Tubes 121D. Hodgeman, M. Habermann, C. T. Lee, and A.K. Bakshi SYMPOSIUM 12: DESIGN, DEVELOPMENT AND APPLICATIONS OF CERAMIC MATRIX COMPOSITES Microstructural and Mechanical Characterization of Damage Tolerant SiC/SiCN Ceramic Matrix Composites Manufactured via Pip Process 129B. Mainzer, R. Jemmali, M. Friess, and D. Koch SYMPOSIUM 13: ADVANCED STRUCTURAL CERAMICS FOR EXTREME ENVIRONMENTS Crystal Structure of the Defect Pyrochlore Potassium Tantalate on Ion-Exchanging Dipping in Sodium Aqueous Solution by Rietveld AnalysisTakashi Hashizume, Atsushi Saiki, and Shogo Miwa SYMPOSIUM 16: GEOPOLYMERS: LOW-ENERGY AND ENVIRONMENTAL-FRIENDLY CERAMICS Preparation and Structure of Geopolymer-Based Alkali-Activated CFB Ash Composite For Removing Ni2+ from Wastewater 147M. Król, P. Ro ek, and W. Mozgawa MULTIFUNCTIONAL MATERIALS AND SYSTEMS SYMPOSIUM 17: ADVANCED FUNCTIONAL CERAMICS AND CRITICAL MATERIALS PERSPECTIVE Dielectric Properties and Resource Criticality Aspects of Hexagonal Manganite 157Alexander Ruff, Ziyu Li, Mario Schafnitzel, and Stephan Krohns Catalytic Activity of Liquid-Phase Reaction over Perovskite-Type Oxide Catalyst Synthesized From Heteronuclear Metal Cyano Complex Precursor 165Syuhei Yamaguchi, Daniel Sánchez-Rodríguez, and Hidenori Yahiro Development of Tunable Devices Using Barium Strontium Titanate Thin Films 179K. Morito, M. Natsume, and S. Sekiguchi Proceedings of the 12th Pacific Rim Conference on Ceramic and Glass Technology Dielectric Properties of Confined Ionic Liquids 191Pit Sippel, Stephan Krohns, Dmytro Denysenko, and Dirk Volkmer SYMPOSIUM 20: CRYSTALLINE MATERIALS FOR ELECTRICAL, OPTICAL AND MEDICAL APPLICATIONS Large Format Li Co-Doped Nai:Tl (NailTM) Scintillation Detector for Gamma-Ray and Neutron Dual Detection 201P.R. Menge, K. Yang, and V. Ouspenski Annealing Induced Structural Phase Change of Hexagonal- LuFeO3 Thin Films 209R. C. Rai, D. Mckenna, C. Horvatits, and J. Du Hart Processing and Characterization of Zinc Sulfide and Calcium Fluoride Composite Ceramics 217N. Ku, V. L. Blair, and K. D. Behler CERAMICS FOR ENERGY AND ENVIRONMENT SYMPOSIUM 22: DIRECT THERMAL TO ELECTRICAL ENERGY CONVERSION MATERIALS AND APPLICATIONS Thermoelectrochemical Cells with Molten Carbonate Electrolytes and Gas Electrodes 227Geir Martin Haarberg, Sathiyaraj Kandhasamy, Signe Kjelstrup, Marit T. Børset, Odne Burheim, and Xue Kang SYMPOSIUM 23: MATERIALS FOR SOLAR THERMAL ENERGY CONVERSION AND STORAGE Catalytic SO3 Decomposition Activity and Stability of Supported Molten Vanadate Catalysts For Solar Thermochemical Water Splitting Cycles 235Alam S. M. Nur, A. Yamashita, T. Matsukawa, T. Kawada, and M. Machida SYMPOSIUM 25: CERAMICS FOR NEXT GENERATION NUCLEAR ENERGY Recent Developments on ISOL Targets for the SPES Project for Nuclear Physics and Applications 245S. Corradetti, F. Borgna, M. Ballan, L. Biasetto, S. Carturan, M. Manzolaro, M.D.M. Innocentini, P. Colombo, and A. Andrighetto Nuclear Fuel Modelling and Perspectives on Canadian Efforts in Fuel Development 253M.H.A. Piro, A. Prudil, M.J. Welland, W. Richmond, A. Bergeron, E. Torres, C. Maxwell, J. Pencer, N. Harrison, and M. Floyd SYMPOSIUM 27: CERAMICS FOR ENABLING ENVIRONMENTAL PROTECTION: CLEAN AIR AND WATER Low-Cost Preparation Method for Anti-Dirt Coating on Concrete Block Using Titanium Oxide Photocatalytic Powder 267S. Ono, N. Kishikawa, S. Kawase, T. Hayashi, and N. Asano SYMPOSIUM 29: ADVANCES IN POLAR, MAGNETIC AND SEMICONDUCTOR MATERIALS: EXTENDING TEMPERATURE LIMITS Development of Dielectric Materials Based on Multilayer Ceramic Capacitors for High Temperature Applications 279Jun Ikeda, Shoichiro Suzuki, Toshikazu Takeda, Atsushi Honda, Hiroaki Kawano, Seiji Katsuta, and Harunobu Sano Towards High Energy Density Glass Capacitors 291Rudeger H.T. Wilke, Adrian Casias, Carl Fitzgerald, Amanda Gomez, and Robert Timon CERAMICS IN BIOLOGY, MEDICINE AND HUMAN HEALTH SYMPOSIUM 32: NANOSTRUCTURED BIOCERAMICS AND CERAMICS FOR BIOMEDICAL APPLICATIONS Design of Experiment Optimization of Artificial Bone Construct Fabrication via Direct Ink Writing of Hydroxyapatite 301C. M. Gigliotti, R. W. Marks, Z. R. Wilczynski, G. S. Lewis, H. J. Donahue, and J. H. Adair 3rd INTERNATIONAL RICHARD M. FULRATH SYMPOSIUM ON DISCONTINUOUS PROGRESS FOR CERAMIC INNOVATIONS Recent Topics in the Field of Ferroelectric Materials for BME-MLCCs 315Takeshi Nomura, Yukari Sasaki, Atsushi Nemoto, and Yuji Akimoto YOUNG INVESTIGATOR FORUM: DESIGN AND APPLICATION OF NEXT GENERATION MULTIFUNCTIONAL MATERIALS High Temperature Durability of Oxide-Oxide Ceramic Matrix Composites Exposed to Engine Relevant Conditions 331M.J. Walock, V. Heng, A. Nieto, A. Ghoshal, D. Driemeyer, and M. Murugan

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Book SynopsisA guide to the wide-variety of waste valorisation techniques related to various biomass, waste materials and by products Waste Valorisation provides a comprehensive review of waste chemistry and its application to the generation of value-added products. The authors noted experts on the topic offer a clear understanding of waste diversity, drivers and policies governing its valorisation based on the location. The book provides information on the principles behind various valorisation schemes and offers a description of general treatment options with their evaluation guidelines in terms of cost, energy consumption and waste generation. Each of the book''s chapters contain an introduction which summarises the current production and processing methods, yields, energy sources and other pertinent information for each specific type of waste. The authors focus on the most relevant novel technologies for value-added processing of waste streams or industrial by-pTrade Review"The book meets its objective, describing in compact format many methods of waste management available across a wide range of industries, well supported by comprehensive references." (Chromatographia, January 2021 https://doi.org/10.1007/s10337-020-03998-6)Table of ContentsList of Contributors xiii Series Preface xvii Preface xix 1 Overview ofWaste Valorisation Concepts from a Circular Economy Perspective 1Jinhua Mou, Chong Li, Xiaofeng Yang, Guneet Kaur and Carol Sze Ki Lin 1.1 Introduction 1 1.2 Development of (Bio)Chemical Process for Utilization of Waste as a Bioresource 4 1.2.1 Mechanical Pretreatment 5 1.2.2 Physical Pretreatment 5 1.2.3 Chemical Pretreatment 5 1.2.4 Biological Pretreatment 6 1.3 Process Integration for Waste-Based Biorefinery 6 1.3.1 Food Waste Biorefinery 7 1.3.2 Agricultural Waste Biorefinery 7 1.3.3 Industrial Waste Biorefinery 8 1.3.4 Wastewater Biorefinery 8 1.4 Closed Loop Recirculation in a Bio-based Economy 8 1.5 Conclusions and Future Trends 9 References 10 2 Waste as a Bioresource 13Gayatri Suresh, Joseph Sebastian and Satinder Kaur Brar 2.1 Introduction 13 2.2 Waste Streams and Their Suitability as Feedstock for Valorisation: Is All Waste a Resource? 14 2.3 (Bio)diversity and Variability of Waste Feedstock 16 2.3.1 Agro-industrial Wastes 16 2.3.2 Municipal Solid Wastes 18 2.3.3 Livestock Wastes 19 2.3.4 Industrial Wastes 21 2.4 Drivers, Policies, and Markets for Value-added Waste-derived Products 23 2.5 Conclusions and Future Trends 25 Acknowledgements 26 References 26 3 Treatment of Waste 33Ravindran Balasubramani, Vasanthy Muthunarayanan, Karthika Arumugam, Rajiv Periakaruppan, Archana Singh, Soon Woong Chang, Thamaraiselvi Chandran, Gopal Shankar Singh and Selvakumar Muniraj 3.1 Introduction 33 3.2 Solid Waste Management 34 3.2.1 E-waste Management 34 3.2.2 Hazardous Waste Management 35 3.2.3 Biomedical Waste Management 35 3.2.4 Plastic Waste Management 35 3.2.5 Solid Waste Management Options 35 3.3 General Approach for Waste Treatment and Conversion to Value-added Products: Biochemical, Mechanical, and Thermochemical 36 3.3.1 Conventional Treatment 36 3.3.2 Biological/Biochemical Treatment 37 3.3.3 Thermal Methods 40 3.3.4 Open Burning 40 3.3.5 Mechanical Treatment 40 3.4 Factors Influencing Selection of an Appropriate Valorisation Technique for Specific Waste Types 42 3.4.1 Case Study of Paper Waste Recycling 42 3.4.2 Deinking Process 42 3.4.3 Paper Deinking Residue 43 3.5 Conventional and Novel Techniques: Overall Comparison in Terms of Energy Consumption, Waste Stream Generation and Cost 44 3.5.1 Pyrolysis 44 3.5.2 Gasification 44 3.5.3 Incineration 44 3.6 Energy Consumption, Waste Stream Generation, and Costs of Conventional and Novel Waste Treatment Technologies 45 3.7 Conclusions and Future Trends 45 Acknowledgement 46 References 46 4 Valorisation of Agricultural Waste Residues 51Srinivas Mettu, Pobitra Halder, Savankumar Patel, Sazal Kundu, Kalpit Shah, Shunyu Yao, Zubeen Hathi, Khai Lun Ong, Sandya Athukoralalage, Namita Roy Choudhury, Naba Kumar Dutta and Carol Sze Ki Lin 4.1 Introduction 51 4.2 Agricultural Waste Definition, Composition, Variability, and Associated Policies and Regulations 53 4.2.1 Agricultural Waste from Farming 55 4.2.2 Agricultural Wastes from Livestock 56 4.2.3 Agricultural Waste Availability 57 4.3 Conventional Techniques – Anaerobic Digestion, Pyrolysis, Gasification, and Solvent Treatment/Extraction 58 4.3.1 Anaerobic Digestion 58 4.3.2 Solvent Treatment 63 4.3.3 Gasification 65 4.3.4 Pyrolysis 67 4.4 Novel Techniques and Envisioned Product Streams: A New Perspective 71 4.5 Case Study: Yard Waste Management 74 4.5.1 Background of Yard Waste in Hong Kong 74 4.5.2 Conventional Yard Waste Reduction and Treatment Strategy 75 4.5.3 Novel Techniques and Strategies for Yard Waste Treatment 76 4.6 Conclusions and Future Trends 76 Acknowledgements 77 References 77 5 Valorisation of Woody Biomass 87Md Khairul Islam, Chengyu Dong, Hsien-Yi Hsu, Carol Sze Ki Lin and Shao-Yuan Leu 5.1 Generation of Woody Biomass 87 5.2 General Classification and Properties of Woods 88 5.3 Wood Chemistry 89 5.3.1 Cellulose 89 5.3.2 Hemicelluloses 90 5.3.3 Lignin 91 5.3.4 Extractives 92 5.4 Chemical Composition Analysis 93 5.4.1 Structural Carbohydrates and Lignin 93 5.4.2 Extractives 94 5.5 Pretreatment 94 5.6 Saccharification and Fermentation 97 5.7 New Functions of Wood Residues 100 5.7.1 Wood–Plastic Composite for Construction Purposes 100 5.7.2 Cellulose Nanomaterials 100 5.7.3 Wood Extractives 102 5.8 Conclusions and Future Trends 102 Acknowledgement 102 References 103 6 Recovery of Nutrients and Transformations of Municipal/Domestic Food Waste 109Divyani Panwar, Parmjit S. Panesar, Gisha Singla, Meena Krishania and Avinash Thakur 6.1 Introduction 109 6.2 Characteristics of Food Waste and its Supply Chain 111 6.2.1 Characteristics of Waste Generated from Food Industries 113 6.2.2 Food Waste Supply Chain 114 6.3 Recovery of Valuable Products from Anaerobic Digestion of Food Waste 116 6.3.1 Biogas 118 6.3.2 Digestate 119 6.4 Novel Approaches and Obtainable Products: Biotechnological Processes and Chemical Transformations 124 6.4.1 Chemical Transformations 125 6.4.2 Biotechnological Approaches 130 6.5 Case Study: Production of Methane via Anaerobic Digestion of Food Waste 139 6.5.1 Anaerobic Digestion 140 6.5.2 TEAM Digester for Domestic Food Waste Digestion 143 6.6 Conclusions and Future Trends 144 References 145 7 Bioconversion of Processing Waste from Agro-Food Industries to Bioethanol: Creating a Sustainable and Circular Economy 161Deepak Kumar and Vijay Singh 7.1 Introduction 161 7.2 Bioconversion Technologies for Bioethanol Production 164 7.2.1 Ethanol Production from Starchy Feedstock (First-Generation Bioethanol) 164 7.2.2 Ethanol from Lignocellulosic Biomass (Second-Generation Bioethanol) 167 7.3 Use of Processing Waste to Produce Ethanol 170 7.3.1 Citrus Peel Waste (CPW) 170 7.3.2 Peel Residue Waste from Other Food Industries 171 7.3.3 Waste from the Brewing Industry 172 7.3.4 Other Processing Wastes 173 7.4 Use of Processing Waste to Enhance Ethanol Yields 174 7.4.1 Improving Fermentation of Dry Fractionated Corn 174 7.4.2 Processing of DDGS to Enhance Ethanol Yields 177 7.5 Conclusions and Future Trends 178 References 179 8 Challenges with Biomass Waste Valorisation 183Guihua Yan, Yunchao Feng, Sishi Long, Xianhai Zeng, Yong Sun, Xing Tang and Lu Lin 8.1 Introduction 183 8.2 The Pre-Preparation Technologies of Biomass Waste 184 8.2.1 “Cellulose-First” Biorefinery Technologies 185 8.2.2 “Lignin-First” Biorefinery Technologies 185 8.2.3 “Lignin and Hemicellulose-First” Biorefinery Technologies 186 8.2.4 “Cellulose and Hemicellulose-First” Biorefinery Technologies 186 8.3 Handling of Emerging Biomass Wastes by Newly Developed Techniques 188 8.3.1 Catalytic Chemistry Technologies 188 8.3.2 Thermochemical Conversion Technologies 189 8.3.3 Biochemical Technologies 190 8.3.4 Integration with Existing Technologies and Economic Viability 190 8.4 Transforming Biomass Waste to Cellulose by New Techniques 191 8.4.1 Cellulose Extraction or Purification Techniques from Biomass Waste 192 8.4.2 Cellulose Micro/Nanomerization Technologies 192 8.5 Transforming Biomass Waste to Lignin by New Technologies 197 8.6 Conclusions and Future Trends 198 Acknowledgements 199 References 199 9 Lifecycle Approaches for Evaluating Textile Biovalorisation Processes: Sustainable Decision-making in a Circular Economy 203Karpagam Subramanian, Shauhrat S. Chopra, Cakin Ezgi, Xiaotong Li and Carol Sze Ki Lin 9.1 Introduction 203 9.2 Literature Review 206 9.2.1 Circular Economy and Sustainable Development 206 9.2.2 Textile Industry – Sustainability Issues and Recycling 206 9.3 Methods 208 9.3.1 Description of Environmental Assessment 208 9.3.2 Description of Social Assessment 209 9.4 Case Study 211 9.4.1 Recovery of PET Fiber from Cotton–Polyester Blended Textile Waste 211 9.4.2 System Description of the Biorecycling Method 212 9.4.3 Life Cycle Inventory 214 9.5 Results and Discussion 215 9.5.1 Environmental Sustainability of Bio-based PET Fiber 215 9.5.2 Social and Economic Sustainability of Bio-based PET Fiber 217 9.6 Conclusions and Future Trends 218 Acknowledgement 219 References 219 10 Circular Waste-Based Biorefinery Development 223Raffel Dharma Patria, Xiaotong Li, Huaimin Wang, Chenyu Du, Carol Sze Ki Lin and Guneet Kaur 10.1 Introduction 223 10.2 Transitioning from Current Linear to Stronger Circular Economy Models 226 10.2.1 Integration of Circular Economy and Sustainable Development 226 10.2.2 Requirements for Transition to a Circular Economy 227 10.3 Case Study 1: Circular Textile Waste-based Biorefinery for Production of Chemicals, Materials, and Fuels 229 10.3.1 Need for a Circular Textile Waste-based Biorefinery 229 10.3.2 Circular Textile Biorefinery 230 10.4 Case Study 2: Circular Food Waste-based Biorefinery for Production of Chemicals, Materials, and Fuels 233 10.4.1 Circular Bioconversion of Food Waste into Polyethylene Furanoate (PEF) 235 10.4.2 Circular Bioconversion of Food Waste into Biosurfactant 240 10.5 Conclusions and Future Trends 246 Acknowledgements 246 References 247 Index 253

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Book SynopsisProvides an in-depth study of organic compounds that bridges the gap between general and organic chemistry Organic Chemistry: Concepts and Applications presents a comprehensive review of organic compounds that is appropriate for a two-semester sophomore organic chemistry course. The text covers the fundamental concepts needed to understand organic chemistry and clearly shows how to apply the concepts of organic chemistry to problem-solving. In addition, the book highlights the relevance of organic chemistry to the environment, industry, and biological and medical sciences. The author includes multiple-choice questions similar to aptitude exams for professional schools, including the Medical College Admissions Test (MCAT) and Dental Aptitude Test (DAT) to help in the preparation for these important exams. Rather than categorize content information by functional groups, which often stresses memorization, this textbook instead divides the information into rTable of ContentsPreface xvii About the Campanion Website xxiii 1 Bonding and Structure of Organic Compounds 1 1.1 Introduction 1 1.2 Electronic Structure of Atoms 4 1.3 Chemical Bonds 9 1.4 Chemical Formulas 18 1.5 The Covalent Bond 20 1.6 Bonding– Concept Summary and Applications 28 1.7 Intermolecular Attractions 29 1.8 Intermolecular Molecular Interactions – Concept Summary and Applications 31 End of Chapter Problems 34 2 Carbon Functional Groups and Organic Nomenclature 39 2.1 Introduction 39 2.2 Functional Groups 39 2.3 Saturated Hydrocarbons 41 2.4 Organic Nomenclature 45 2.5 Structure and Nomenclature of Alkanes 45 2.6 Unsaturated Hydrocarbons 54 2.7 Structure and Nomenclature of Alkenes 56 2.8 Structure and Nomenclature of Substituted Benzenes 58 2.9 Structure and Nomenclature of Alkynes 60 End of Chapter Problems 61 3 Heteroatomic Functional Groups and Organic Nomenclature 63 3.1 Properties and Structure of Alcohols, Phenols, and Thiols 63 3.2 Nomenclature of Alcohols 66 3.3 Nomenclature of Thiols 68 3.4 Structure and Properties of Aldehydes and Ketones 69 3.5 Nomenclature of Aldehydes 70 3.6 Nomenclature of Ketones 71 3.7 Structure and Properties of Carboxylic Acids 73 3.8 Nomenclature of Carboxylic Acids 75 3.9 Structure and Properties of Esters 78 3.10 Structure and Properties of Acid Chlorides 82 3.11 Structure and Properties of Anhydrides 83 3.12 Structure and Properties of Amines 84 3.13 Structure and Properties of Amides 88 3.14 Structure and Properties of Nitriles 90 3.15 Structure and Properties of Ethers 91 3.16 An Overview of Spectroscopy and the Relationship to Functional Groups 94 4 Alkanes, Cycloalkanes, and Alkenes: Isomers, Conformations, and Stabilities 103 4.1 Introduction 103 4.2 Structural Isomers 103 4.3 Conformational Isomers of Alkanes 104 4.4 Conformational Isomers of Cycloalkanes 108 4.5 Geometric Isomers 114 4.6 Stability of Alkanes 119 4.7 Stability of Alkenes 121 4.8 Stability of Alkynes 122 End of Chapter Problems 123 5 Stereochemistry 125 5.1 Introduction 125 5.2 Chiral Stereoisomers 126 5.3 Significance of Chirality 129 5.4 Nomenclature of the Absolute Configuration of Chiral Molecules 131 5.5 Properties of Stereogenic Compounds 133 5.6 Compounds with More Than One Stereogenic Carbon 134 5.7 Resolution of Enantiomers 137 End of Chapter Problems 140 6 An Overview of the Reactions of Organic Chemistry 145 6.1 Introduction 145 6.2 Acid–Base Reactions 145 6.3 Addition Reactions 149 6.4 Reduction Reactions 150 6.5 Oxidation Reactions 153 6.6 Elimination Reactions 154 6.7 Substitution Reactions 156 6.8 Pericyclic Reactions 158 6.9 Catalytic Coupling Reactions 158 End of Chapter Problems 159 7 Acid–Base Reactions in Organic Chemistry 165 7.1 Introduction 165 7.2 Lewis Acids and Bases 165 7.3 Relative Strengths of Acids and Conjugate Bases 166 7.4 Predicting the Relative Strengths of Acids and Bases 169 7.5 Factors That Affect Acid and Base Strengths 170 7.6 Applications of Acid–Bases Reactions in Organic Chemistry 176 End of Chapter Problems 180 8 Addition Reactions Involving Alkenes and Alkynes 183 8.1 Introduction 183 8.2 The Mechanism for Addition Reactions Involving Alkenes 183 8.3 Addition of Hydrogen Halide to Alkenes (Hydrohalogenation of Alkenes) 185 8.4 Addition of Halogens to Alkenes (Halogenation of Alkenes) 196 8.5 Addition of Halogens and Water to Alkenes (Halohydrin Formation) 198 8.6 Addition of Water to Alkenes (Hydration of Alkenes) 199 8.7 Addition of Carbenes to Alkenes 207 8.8 The Mechanism for Addition Reactions Involving Alkynes 209 8.9 Applications of Addition Reactions to Synthesis 213 End of Chapter Problems 214 9 Addition Reactions Involving Carbonyls and Nitriles 223 9.1 Introduction 223 9.2 Mechanism for Addition Reactions Involving Carbonyl Compounds 223 9.3 Addition of HCN to Carbonyl Compounds 224 9.4 Addition of Water to Carbonyl Compounds 226 9.5 Addition of Alcohols to Carbonyl Compounds 230 9.6 Addition of Ylides to Carbonyl Compounds (The Wittig Reaction) 235 9.7 Addition of Enolates to Carbonyl Compounds 237 9.8 Addition of Amines to Carbonyl Compounds 240 9.9 Mechanism for Addition Reactions Involving Imines 241 9.10 Mechanism for Addition Reactions Involving Nitriles 242 9.11 Applications of Addition Reactions to Synthesis 244 End of Chapter Problems 246 10 Reduction Reactions in Organic Chemistry 251 10.1 Introduction 251 10.2 Reducing Agents of Organic Chemistry 252 10.3 Reduction of C=O and C=S Containing Compounds 255 10.4 Reduction of Imines 263 10.5 Reduction of Oxiranes 266 10.6 Reduction of Aromatic Compounds, Alkynes, and Alkenes 268 End of Chapter Problems 272 11 Oxidation Reactions in Organic Chemistry 275 11.1 Introduction 275 11.2 Oxidation 275 11.3 Oxidation of Alcohols and Aldehydes 279 11.4 Oxidation of Alkenes Without Bond Cleavage 288 11.5 Oxidation of Alkenes with Bond Cleavage 293 11.6 Applications of Oxidation Reactions of Alkenes 296 11.7 Oxidation of Alkynes 299 11.8 Oxidation of Aromatic Compounds 300 11.9 Autooxidation of Ethers and Alkenes 301 11.10 Applications of Oxidation Reactions to Synthesis 302 End of Chapter Problems 304 12 Elimination Reactions of Organic Chemistry 309 12.1 Introduction 309 12.2 Mechanisms of Elimination Reactions 309 12.3 Elimination of Hydrogen and Halide (Dehydrohalogenation) 316 12.4 Elimination of Water (Dehydration) 319 12.5 Applications of Elimination Reactions to Synthesis 323 End of Chapter Problems 326 13 Spectroscopy Revisited, A More Detailed Examination 331 13.1 Introduction 331 13.2 The Electromagnetic Spectrum 331 13.3 UV‐Vis Spectroscopy and Conjugated Systems 334 13.4 Infrared Spectroscopy 337 13.5 Mass Spectrometry 343 13.6 Nuclear Magnetic Resonance (NMR) Spectroscopy 346 End of Chapter Problems 367 14 Free Radical Substitution Reactions Involving Alkanes 369 14.1 Introduction 369 14.2 Types of Alkanes and Alkyl Halides 371 14.3 Chlorination of Alkanes 376 14.4 Bromination of Alkanes 380 14.5 Applications of Free Radical Substitution Reactions 386 14.6 Free Radical Inhibitors 388 14.7 Environmental Impact of Organohalides and Free Radicals 389 End of Chapter Problems 391 15 Nucleophilic Substitution Reactions at sp3 Carbons 393 15.1 Introduction 393 15.2 The Electrophile 393 15.3 The Leaving Group 394 15.4 The Nucleophile 397 15.5 Nucleophilic Substitution Reactions 397 15.6 Bimolecular Substitution Reaction Mechanism (SN2 Mechanism) 400 15.7 Unimolecular Substitution Reaction Mechanism (SN1 Mechanism) 406 15.8 Applications of Nucleophilic Substitution Reactions – Synthesis 414 End of Chapter Problems 420 16 Nucleophilic Substitution Reactions at Acyl Carbons 425 16.1 Introduction 425 16.2 Mechanism for Acyl Substitution 426 16.3 Substitution Reactions Involving Acid Chlorides 428 16.4 Substitution Reactions Involving Anhydrides 436 16.5 Substitution Reactions Involving Esters 442 16.6 Substitution Reactions Involving Amides 451 16.7 Substitution Reactions Involving Carboxylic Acids 454 16.8 Substitution Reactions Involving Oxalyl Chloride 458 16.9 Substitution Reactions Involving Sulfur Containing Compounds 458 16.10 Applications of Acyl Substitution Reactions 460 End of Chapter Problems 462 17 Aromaticity and Aromatic Substitution Reactions 467 17.1 Introduction 467 17.2 Structure and Properties of Benzene 468 17.3 Nomenclature of Substituted Benzene 470 17.4 Stability of Benzene 473 17.5 Characteristics of Aromatic Compounds 475 17.6 Electrophilic Aromatic Substitution Reactions of Benzene 478 17.7 Electrophilic Aromatic Substitution Reactions of Substituted Benzene 484 17.8 Applications– Synthesis of Substituted Benzene Compounds 491 17.9 Electrophilic Substitution Reactions of Polycyclic Aromatic Compounds 494 17.10 Electrophilic Substitution Reactions of Pyrrole 496 17.11 Electrophilic Substitution Reactions of Pyridine 497 17.12 Nucleophilic Aromatic Substitution 499 End of Chapter Problems 504 18 Conjugated Systems and Pericyclic Reactions 511 18.1 Conjugated Systems 511 18.2 Pericyclic Reactions 513 End of Chapter Problems 522 19 Catalytic Carbon–Carbon Coupling Reactions 525 19.1 Introduction 525 19.2 Reactions of Transition Metal Complexes 525 19.3 Palladium‐ Catalyzed Coupling Reactions 528 End of Chapter Problems 535 20 Synthetic Polymers and Biopolymers 537 20.1 Introduction 537 20.2 Cationic Polymerization of Alkenes 537 20.3 Anionic Polymerization of Alkenes 540 20.4 Free Radical Polymerization of Alkenes 540 20.5 Copolymerization of Alkenes 542 20.6 Properties of Polymers 543 20.7 Biopolymers 544 20.8 Amino Acids, Monomers of Peptides and Proteins 545 20.9 Acid–Base Properties of Amino Acids 547 20.10 Synthesis of α‐Amino Acids 547 20.11 Reactions of α‐Amino Acids 550 20.12 Primary Structure and Properties of Peptides 556 20.13 Secondary Structure of Proteins 558 20.14 Monosaccharides, Monomers of Carbohydrates 559 20.15 Reactions of Monosaccharides 560 20.16 Disaccharides and Polysaccharides 566 20.17 N‐Glycosides and Amino Sugars 567 20.18 Lipids 568 20.19 Properties and Reactions of Waxes 569 20.20 Properties and Reactions of Triglycerides 569 20.21 Properties and Reactions of Phospholipids 572 20.22 Structure and Properties of Steroids, Prostaglandins, and Terpenes 572 End of Chapter Problems 573 Index 577

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Book SynopsisAn essential guide for recognizing and responding to normalization of deviance to help organizations improve their process safety performance This book provides an introduction and offers approaches for finding and addressing normalization of deviation both in operational and organizational activities. It addresses the initial and long-term effects of normalization of deviations as seen in reduced efficiencies, reduced product quality, extended batch run time, and near miss process safety incidents which can lead to loss of containment of hazardous materials and energies. Recognizing and Responding to Normalization of Deviance addresses how to recognize and respond to the normalization of deviation that can, and almost certainly will, occur in any ongoing operations that involves humans. The book's primary focus is on reducing the incidence of normalization of deviation and the associated increased risk exposure due to its effects when operating chemical or petrochemical manufacturiTable of ContentsList of Tables xi List of Figures xiii Glossary xv Acronyms and Abbreviations xxi Files on the Web xiii Acknowledgements xxv Preface xxvii Executive Summary xxix 1. Introduction 1 1.1 The Definition of Normalization of Deviance 5 1.2 The Motivation for Writing This Book 7 1.3 Our Audience and How to Use This Book 8 1.4 How Our Worldview Affects Us When Recognizing Normalized Deviance 8 1.5 Work Process Knowledge is Essential in Determining the Existence of Deviation 11 1.6 Normalized Deviation and Traditional Process Safety Concepts 12 2. Why Examine the Phenomenon of Normalization of Deviation? 25 2.1 Introduction 25 2.2 Past Incidents Related to Normalized Deviance 27 2.3 How The Concept Of Normalization of Deviance Affects Overall Process Safety Performance 35 2.5 Can Normalized Deviation in Your Business Work Processes Affect Risk? 38 2.6 Normalization of Deviation and Management of Change 39 3. The Roots of Deviation 43 3.1 Lack of Operational Discipline 43 3.2 Insufficient Knowledge, Procedures, Training and Resources 50 3.3 Risk Versus Reward Perception 58 3.4 Overconfidence 64 3.5 Human Nature 69 4. Identifying Normalized Deviation 73 4.1 Find Trigger Words and Phrases 73 4.2 Use Your HIRA Process 74 4.3 Determine Which Engineering Activities Reveal Deviation 75 4.4 Use Behavioral Safety Techniques 76 4.5 Review Your Work Processes 77 4.6 Use Walkthroughs and Routine Inspections 84 4.7 Use Your Process Risk Audits 84 4.8 Pay Attention to Near Misses 86 4.9 Use Your Incident Investigation System 87 4.10 Evaluate Management of Temporary Changes 88 5. Techniques to Reduce Operational Normalization of Deviance 91 5.1 Reward Rigor in Your Management of Change Process 91 5.2 Leverage Your Near Miss Reports 92 5.3 Use Behavioral Safety Observation Data 93 5.4 Use Crew Discussion Sessions and Training 94 5.5 Emphasize Employee Participation 94 5.6 Encourage Open Dialogue Supporting All Workers Who Raise Normalization of Deviation Issues 98 5.7 Leverage Learning from Your PHA Process 98 5.8 Perform a Job Task Analysis for Every Job Position 99 5.9 Recognize All Who Combat Normalization of Deviation 101 6. Techniques to Reduce Organizational Normalization of Deviance 104 6.1 Troubleshooting 105 6.2 Consistently Anticipate the Human Tendency Toward Normalization of Deviation 106 6.3 Address the Systemic Issues Within the Organization 107 6.4 When to Stand Down – Halting Operations to Fight Deviation 110 6.5 Promote Transparency and Accountability 112 6.6 Adhere to Good Engineering Practices 112 6.7 Encourage Management To Use Technical Expertise 113 6.8 Executives Set the Tone 114 6.9 Summary 114 Appendix A – A Survey to Help Identify Warning Signs of Deviations 117 A.1 Leadership and Culture 117 A.2 Training and Competency 118 A.3 Process Safety Information 119 A.4 Procedures 119 A.5 Asset Integrity 119 A.6 Analyzing Risk and Managing Change 120 A.7 Audits 121 A.8 Learning From Experience 121 A.9 Physical Warning Signs 121 Appendix B – Job and Task Analysis 123 B.1 Job and Task Analysis and the Instructional Systems Design Model 123 B.2 Basic Steps for a Job and Task Analysis 123 References 127 Index 135

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Book SynopsisThis groundbreaking book covers the recent advances in sustainable technologies and developments, and describes how green chemistry and engineering practices are being applied and integrated in various industrial sectors. Over the past decade, the population explosion, rise in global warming, depletion of fossil fuel resources and environmental pollution have been the major driving force for promoting and implementing the principles of green chemistry and sustainable engineering in all sectors ranging from chemical to environmental sciences. It plays a growing role in the chemical processing industries. Green chemistry and engineering are relatively new areas focused on minimizing generations of pollution by utilizing alternative feedstocks, developing, selecting, and using less environmentally harmful solvents, finding new synthesis pathways, improving selectivity in reactions, generating less waste, avoiding the use of highly toxic compounds, and much more. In

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Book SynopsisBurgeoning world population, decreased water supply and land resources, coupled with climate change, result in severe stress conditions and a great threat to the global food supply. To meet these challenges, exploring Omics Technologies could lead to improved yields of cereals, tubers and grasses that may ensure food security. Improvement of yields through crop improvement and biotechnological means are the need-of-the-hour, and the current book OMICS-Based Approaches in Plant Biotechnology, reviews the advanced concepts on breeding strategies, OMICS technologies (genomics, transcriptomics and metabolomics) and bioinformatics that help to glean the potential candidate genes/molecules to address unsolved problems related to plant and agricultural crops. The first six chapters of the book are focused on genomics and cover sequencing, functional genomics with examples on insecticide resistant genes, mutation breeding and miRNA technologies. Recent advances in metabolomics studies are elucTable of ContentsIntroduction xiii Part 1: Genomics 1 1 Exploring Genomics Research in the Context of Some Underutilized Legumes—A Review 3Patrush Lepcha, Pittala Ranjith Kumar and N. Sathyanarayana 1.1 Introduction 3 1.2 Velvet Bean [Mucuna pruriens (L.) DC. var. utilis (Wall. ex Wight)] Baker ex Burck 4 1.3 Psophocarpus tetragonolobus (L.) DC. 7 1.4 Vigna umbellata (Thunb.) Ohwiet. Ohashi 8 1.5 Lablab purpureus (L.) Sweet 9 1.6 Avenues for Future Research 10 1.7 Conclusions 12 Acknowledgments 12 References 12 2 Overview of Insecticidal Genes Used in Crop Improvement Program 19Neeraj Kumar Dubey, Prashant Kumar Singh, Satyendra Kumar Yadav and Kunwar Deelip Singh 2.1 Introduction 19 2.2 Insect-Resistant Transgenic Model Plant 21 2.3 Insect-Resistant Transgenic Dicot Plants 27 2.4 Insect-Resistant Transgenic Monocot Plants 34 2.5 Working Principle of Insecticidal Genes Used in Transgenic Plant Preparation 39 2.6 Discussion 41 References 42 3 Advances in Crop Improvement: Use of miRNA Technologies for Crop Improvement 55Clarissa Challam, N. Nandhakumar and Hemant Balasaheb Kardile 3.1 Introduction 56 3.2 Discovery of miRNAs 56 3.3 Evolution and Organization of Plant miRNAs 57 3.4 Identification of Plant miRNAs 58 3.5 miRNA vs. siRNA 59 3.6 Biogenesis of miRNAs and Their Regulatory Action in Plants 60 3.7 Application of miRNA for Crop Improvement 61 3.8 Concluding Remarks 62 References 70 4 Gene Discovery by Forward Genetic Approach in the Era of High-Throughput Sequencing 75Vivek Thakur and Samart Wanchana 4.1 Introduction 75 4.2 Mutagens Differ for Type and Density of Induced Mutations 76 4.3 High-Throughput Sequencing is Getting Better and Cheaper 77 4.4 Mapping-by-Sequencing 77 4.5 Different Mapping Populations for Specific Need 81 4.6 Effect of Mutagen Type on Mapping 83 4.7 Effect of Bulk Size and Sequencing Coverage on Mapping 83 4.8 Challenges in Variant Calling 85 4.9 Cases Where Genome Sequence is either Unavailable or Highly Diverged 85 4.10 Bioinformatics Tools for Mapping-by-Sequencing Analysis 86 Acknowledgments 87 References 87 5 Functional Genomics of Thermotolerant Plants 91Nagendra Nath Das 5.1 Introduction 91 5.2 Functional Genomics in Plants 93 5.3 Thermotolerant Plants 94 5.4 Studies on Functional Genomics of Thermotolerant Plants 98 5.5 Concluding Remarks 99 Abbreviations 100 References 100 Part 2: Metabolomics 105 6 A Workflow in Single Cell-Type Metabolomics: From Data Pre-Processing and Statistical Analysis to Biological Insights 107Biswapriya B. Misra 6.1 Introduction 108 6.2 Methods and Data 109 6.2.1 Source of Data 109 6.2.2 Processing of Raw Mass Spectrometry Data 109 6.2.3 Statistical Analyses 109 6.2.4 Pathway Enrichment and Clustering Analysis 110 6.3 Results 110 6.3.1 Design of the Study and Data Analysis 110 6.3.2 The Guard Cell Metabolomics Dataset 110 6.3.3 Multivariate Analysis for Insights into Data Pre-Processing 113 6.3.4 Effect of Data Normalization Methods 119 6.4 Discussion 122 6.5 Conclusion 124 Conflicts of Interest 124 Acknowledgment 125 References 125 7 Metabolite Profiling and Metabolomics of Plant Systems Using 1H NMR and GC-MS 129Manu Shree, Maneesh Lingwan and Shyam K. Masakapalli 7.1 Introduction 129 7.2 Materials and Methods 131 7.2.1 1H NMR-Based Metabolite Profiling of Plant Samples 132 7.2.1.1 Metabolite Extraction 132 7.2.1.2 1H NMR Spectroscopy 132 7.2.1.3 Qualitative and Quantitative Analysis of NMR Signals 134 7.2.2 Gas Chromatography–Mass Spectroscopy (GC-MS) Based Metabolite Profiling 134 7.2.2.1 Sample Preparation 134 7.2.2.2 GC-MS Data Acquisition 135 7.2.2.3 GC-MS Data Pretreatment and Metabolite Profiling 136 7.2.2.4 Validation of Identified Metabolites 136 7.2.3 Multivariate Data Analysis 137 7.3 Selected Applications of Metabolomics and Metabolite Profiling 139 Acknowledgments 140 Competing Interests 140 References 140 8 OMICS-Based Approaches for Elucidation of Picrosides Biosynthesis in Picrorhiza kurroa 145Varun Kumar 8.1 Introduction 146 8.2 Cross-Talk of Picrosides Biosynthesis Among Different Tissues of P. kurroa 148 8.3 Strategies Used for the Elucidation of Picrosides Biosynthetic Route in P. kurroa 148 8.3.1 Retro-Biosynthetic Approach 149 8.3.2 In Vitro Feeding of Different Precursors and Inhibitors 149 8.3.3 Metabolomics of Natural Variant Chemotypes of P. kurroa 150 8.4 Strategies Used for Shortlisting Key/Candidate Genes Involved in Picrosides Biosynthesis 151 8.4.1 Comparative Genomics 151 8.4.2 Differential Next-Generation Sequencing (NGS) Transcriptomes and Expression Levels of Pathway Genes Vis-à-Vis Picrosides Content 152 8.5 Complete Architecture of Picrosides Biosynthetic Pathway 153 8.6 Challenges and Future Perspectives 161 Abbreviations 162 References 163 9 Relevance of Poly-Omics in System Biology Studies of Industrial Crops 167Nagendra Nath Das 9.1 Introduction 167 9.2 System Biology of Crops 169 9.3 Industrial Crops 171 9.4 Poly-Omics Application in System Biology Studies of Industrial Crops 176 9.5 Concluding Remarks 177 Abbreviations 177 References 178 Part 3: Bioinformatics 183 10 Emerging Advances in Computational Omics Tools for Systems Analysis of Gramineae Family Grass Species and Their Abiotic Stress Responsive Functions 185Pandiyan Muthuramalingam, Rajendran Jeyasri, Dhamodharan Kalaiyarasi, Subramani Pandian, Subramanian Radhesh Krishnan, Lakkakula Satish, Shunmugiah Karutha Pandian and Manikandan Ramesh 10.1 Introduction 186 10.2 Gramineae Family Grass Species 187 10.2.1 Oryza sativa 187 10.2.2 Setaria italica 187 10.2.3 Sorghum bicolor 188 10.2.4 Zea mays 188 10.3 Abiotic Stress 188 10.4 Emerging Sequencing Technologies 198 10.4.1 NGS-Based Genomic and RNA Sequencing 199 10.4.2 Tanscriptome Analysis Based on NGS 200 10.4.3 High-Throughput Omics Layers 201 10.5 Omics Resource in Poaceae Species 202 10.6 Role of Functional Omics in Dissecting the Stress Physiology of Gramineae Members 203 10.7 Systems Analysis in Gramineae Plant Species 204 10.8 Nutritional Omics of Gramineae Species 205 10.9 Future Prospects 205 10.10 Conclusion 206 Acknowledgments 207 References 207 11 OMIC Technologies in Bioethanol Production: An Indian Context 217Pulkit A. Srivastava and Ragothaman M. Yennamalli 11.1 Introduction 217 11.2 Indian Scenario 219 11.3 Cellulolytic Enzymes Producing Bacterial Strains Isolated from India 220 11.3.1 Bacillus Genus of Lignocellulolytic Degrading Enzymes 222 11.3.2 Bhargavaea cecembensis 222 11.3.3 Streptomyces Genus for Hydrolytic Enzymes 230 11.4 Biomass Sources Native to India 230 11.4.1 Albizia lucida (Moj) 230 11.4.2 Areca catechu (Betel Nut) 231 11.4.3 Arundo donax (Giant Reed) 231 11.4.4 Pennisetum purpureum (Napier Grass) 231 11.4.5 Brassica Family of Biomass Crops 231 11.4.6 Cajanus cajan (Pigeon Pea)/Cenchrus americanus (Pearl Millet)/Corchorus capsularis (Jute)/ Lens culinaris (Lentil)/Saccharum officinarum (Sugarcane)/Triticum sp. (Wheat)/Zea mays (Maize) 232 11.4.7 Medicago sativa (Alfalfa) 232 11.4.8 Manihot esculenta (Cassava)/Salix viminalis (Basket Willow)/Setaria italica (Foxtail Millet)/ Setaria viridis (Green Foxtail) 232 11.4.9 Vetiveria zizanioides (Vetiver or Khas) 232 11.4.10 Millets and Sorghum bicolor (Sorghum) 233 11.5 Omics Data and Its Application to Bioethanol Production 233 11.6 Conclusion 239 References 239 Part 4: Advances in Crop Improvement: Emerging Technologies 245 12 Genome Editing: New Breeding Technologies in Plants 247Kalyani M. Barbadikar, Supriya B. Aglawe, Satendra K. Mangrauthia, M. Sheshu Madhav and S.P. Jeevan Kumar 12.1 Introduction: Genome Editing 248 12.2 GE: The Basics 249 12.2.1 Nonhomologous End-Joining (NHEJ) 250 12.2.2 Homology Directed Repair (HR) 251 12.3 Engineered Nucleases: The Key Players in GE 251 12.3.1 Meganucleases 251 12.3.2 Zinc-Finger Nucleases 256 12.3.3 Transcription Activator-Like Effector Nucleases 257 12.3.4 CRISPR/Cas System: The Forerunner 258 12.4 Targeted Mutations and Practical Considerations 259 12.4.1 Targeted Mutations 259 12.4.2 Steps Involved 260 12.4.2.1 Selection of Target Sequence 261 12.4.2.2 Designing Nucleases 262 12.4.2.3 Transformation 263 12.4.2.4 Screening for Mutation 264 12.5 New Era: CRISPR/Cas9 264 12.5.1 Vector Construction 264 12.5.2 Delivery Methods 266 12.5.3 CRISPR/Cas Variants 266 12.5.3.1 SpCas9 Nickases (nSpCas9) 266 12.5.3.2 Cas9 Variant without Endonuclease Activity 266 12.5.3.3 FokI Fused Catalytically Inactive Cas9 267 12.5.3.4 Naturally Available and Engineered Cas9 Variants with Altered PAM 268 12.5.3.5 Cas9 Variants for Increased On-Target Effect 268 12.5.3.6 CRISPR/Cpf1 268 12.6 GE for Improving Economic Traits 269 12.6.1 Development of Next-Generation Smart Climate Resilient Crops 271 12.6.2 Breaking Yield Incompatibility Barriers and Hybrid Breeding 271 12.6.3 Creating New Variation through Engineered QTLs 271 12.6.4 Transcriptional Regulation 272 12.6.5 GE for Noncoding RNA, microRNA 272 12.6.6 Epigenetic Modifications 273 12.6.7 Gene Dosage Effect 273 12.7 Biosafety of GE Plants 273 12.8 What’s Next: Prospects 276 References 276 13 Regulation of Gene Expression by Global Methylation Pattern in Plants Development 287Vrijesh Kumar Yadav, Krishan Mohan Rai, Nishant Kumar and Vikash Kumar Yadav 13.1 Introduction 288 13.2 Nucleic Acid Methylation Targets in the Genome 289 13.3 Nucleic Acid Methyl Transferase (DNMtase) 290 13.4 Genomic DNA Methylation and Expression Pattern 291 13.5 Pattern of DNA Methylation in Early Plant Life 292 13.6 DNA Methylation Pattern in Mushroom 293 13.7 Methylation Pattern in Tumor 294 13.8 DNA Methylation Analysis Approaches 294 13.8.1 Locus-Specific DNA Methylation 295 13.8.2 Genome-Wide and Global DNA Methylation 295 13.8.3 Whole Genome Sequence Analysis by Bioinformatics Analysis 296 References 297 14 High-Throughput Phenotyping: Potential Tool for Genomics 303Kalyani M. Barbadikar, Divya Balakrishnan, C. Gireesh, Hemant Kardile, Tejas C. Bosamia and Ankita Mishra 14.1 Introduction 304 14.2 Relation of Phenotype, Genotype, and Environment 304 14.3 Features of HTP 306 14.4 HTP Pipeline and Platforms 310 14.5 Controlled Environment-Based Phenotyping 311 14.6 Field-Based High-Throughput Plant Phenotyping (Fb-HTPP) 311 14.7 Applications of HTP 313 14.7.1 Marker-Assisted Selection and QTL Detection 314 14.7.2 Forward and Reverse Genetics 315 14.7.3 New Breeding Techniques 315 14.7.3.1 Envirotyping 315 14.8 Conclusion and Future Thrust 316 References 316 Index 323

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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 ContentsPreparation of Aryl Alkyl Ketenes 1Nicholas D. Staudaher, Joseph Lovelace, Michael P. Johnson, and Janis Louie Preparation of Diisopropylammonium Bis(catecholato)cyclohexylsilicate 16Kingson Lin, Christopher B. Kelly, Matthieu Jouffroy, and Gary A.Molander Continuous Flow Hydration of Pyrazine-2-carbonitrile in a Manganese Dioxide Column Reactor 34Claudio Battilocchio, Shing-Hing Lau, Joel M. Hawkins, and Steven V. Ley Site-Selective C-H Fluorination of Pyridines and Diazines with AgF2 46Patrick S. Fier and John F. Hartwig Site-Selective C-H Fluorination of Pyridines and Diazines with AgF2 46Patrick S. Fier and John F. Hartwig Ugi Multicomponent Reaction 54André Boltjes, Haixia Liu, Haiping Liu, and Alexander Dömling Palladium-catalyzed External-CO-Free Reductive Carbonylation of Bromoarenes 66Hideyuki Konishi, Masataka Fukuda, Tsuyoshi Ueda, and Kei Manabe Practical Syntheses of [2,2′-bipyridine]bis[3,5-difluoro-2- [5-(trifluoromethyl)-2 pyridinyl]phenyl]iridium(III) hexafluorophosphate, [Ir{dF(CF3)ppy}2(bpy)]PF6 and [4,4′-bis (tert-butyl) 2,2′-bipyridine]bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]iridium(III) hexafluorophosphate, [Ir{dF(CF3)ppy}2 (dbbpy)]PF6 77Martins S. Oderinde and Jeffrey W. Johannes (Z)-Enol p-Tosylate Derived from Methyl Acetoacetate: A Useful Cross-coupling Partner for the Synthesis of Methyl (Z)-3-Phenyl (or Aryl)-2-butenoate 93Yuichiro Ashida, Hidefumi Nakatsuji, and Yoo Tanabe Synthesis of Allenyl Mesylate by a Johnson-Claisen Rearrangement. Preparation of 3-(((tert-butyldiphenyl- silyl)oxy)methyl)penta-3,4-dien-1-yl methanesulfonate 109Joseph E. Burchick. Jr., Sarah M. Wells, and Kay M. Brummond Rhodium(I)-catalyzed Allenic Pauson–Khand Reaction 123Joseph E. Burchick. Jr., Sarah M. Wells, and Kay M. Brummond Dirhodium (II) tetrakis[N-4-bromo-1,8-naphthoyl-(S)-tert-leucinate] 136Hélène Lebel, Henri Piras, and Johan Bartholoméüs Buta-2,3-dien-1-ol 153Hongwen Luo, Dengke Ma, and Shengming Ma Fragment Coupling and Formation of Quaternary Carbons by Visible-Light Photoredox Catalyzed Reaction of tert-Alkyl Hemioxalate Salts and Michael Acceptors 167Christopher R. Jamison, Yuriy Slutskyy, and Larry E. Overman N-Methoxy-N-methylcyanoformamide 184Jeremy Nugent and Brett D. Schwartz 4-Cyano-2-methoxybenzenesulfonyl Chloride 198Elliott D. Bayle, Niall Igoe, and Paul V. Fish Preparation of N-Trifluoromethylthiosaccharin: A Shelf-Stable Electrophilic Reagent for Trifluoromethylthiolation 217Jiansheng Zhu, Chunhui Xu, Chunfa Xu, and Qilong Shen Homologation of Boronic Esters with Lithiated Epoxides 234Roly J. Armstrong and Varinder K. Aggarwal Asymmetric Michael Reaction of Aldehydes and Nitroalkenes 252Yujiro Hayashi and Shin Ogasawara Preparation of anti-1,3-Amino Alcohol Derivatives Through an Asymmetric Aldol-Tishchenko Reaction of Sulfinimines 259Pamela Mackey, Rafael Cano, Vera M. Foley, and Gerard P. McGlacken Rhenium-Catalyzed ortho-Alkylation of Phenols 280Yoichiro Kuninobu, Masaki, Yamamoto, Mitsumi Nishi, Tomoyuki Yamamoto, Takashi Matsuki, Masahito Murai, and Kazuhiko Takai Enantioselective Preparation of 5-Oxo-5,6-dihydro-2H-pyran-2-yl phenylacetate via organocatalytic Dynamic Kinetic Asymmetric Transformation (DyKAT) 292Tamas Benkovics, Adrian Ortiz, Gregory L. Beutner, and Chris Sfouggatakis Preparation of Sodium Heptadecyl Sulfate (Tergitol-7i) 303Brent A. Banasik and Mansour Samadpour Catalytic Enantioselective Addition of Diethyl Phosphite to N-Thiophosphinoyl Ketimines: Preparation of (R)-Diethyl (1-Amino-1-phenylethyl)phosphonate 313Shaoquan Lin, Yasunari Otsuka, Liang Yin, Naoya Kumagai, and Masakatsu Shibasaki Water-promoted, Open-flask Synthesis of Amine-boranes: 2-Methylpyridine-borane (2-Picoline-borane) 332Ameya S. Kulkarni and P. Veeraraghavan Ramachandran Preparation of N-Sulfinyl Aldimines using Pyrrolidine as Catalyst via Iminium Ion Activation 346Sara Morales, Alfonso García Rubia, Eduardo Rodrigo, José Luis Aceña, José Luis García Ruano, and M. Belén Cid Synthesis of N-Boc-N-Hydroxymethyl-L-phenylalaninal 358Jae Won Yoo, Youngran Seo, Dongwon Yoo, and Young Gyu Kim Synthesis of Methyl trans-Oxazolidine-5-carboxylate, a Chiral Synthon for threo-β-Amino-α-hydroxy Acid 372Youngran Seo, Jae Won Yoo, Yoonjae Lee, Boram Lee, Bonghyun Kim, and Young Gyu Kim Preparation of Benzyl((R)-2-(4-(benzyloxy)phenyl)-2-((tert- butoxycarbonyl)amino)acetyl)-D-phenylalaninate using Umpolung Amide Synthesis 388Matthew T. Knowe, Sergey V. Tsukanov, and Jeffrey N. Johnston

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Book SynopsisFinalist for the 2021 PROSE Award for Environmental Science! An integrated approach to understanding and mitigating the problem of excess nitrogen Human activities generate large amounts of excess nitrogen, which has dramatically altered the nitrogen cycle. Reactive forms of nitrogen, especially nitrate and ammonia, are particularly detrimental. Given the magnitude of the problem, there is an urgent need for information on reactive nitrogen and its effective management. Nitrogen Overload: Environmental Degradation, Ramifications, and Economic Costs presents an integrated, multidisciplinary review of alterations to the nitrogen cycle over the past century and the wide-ranging consequences of nitrogen-based pollution, especially to aquatic ecosystems and human health. Volume highlights include: Comprehensive background information on the nitrogen cycle Detailed description of anthropogenic nitrogen sources Table of ContentsPreface ix Acknowledgments xi 1. Introduction 1 2. The Nitrogen Cycle 15 3. Sources of Reactive Nitrogen and Transport Processes 29 4. Methods to Identify Sources of Reactive Nitrogen Contamination 49 5. Adverse Human Health Effects of Reactive Nitrogen 71 6. Terrestrial Biodiversity and Surface Water Impacts from Reactive Nitrogen 91 7. Groundwater Contamination from Reactive Nitrogen 119 8. Nitrate Contamination in Springs 155 9. Co‐occurrence of Nitrate with Other Contaminants in the Environment 175 10. Economic Costs and Consequences of Excess Reactive Nitrogen 197 11. Strategies for Reducing Excess Reactive Nitrogen to the Environment 221 Index 243

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Book Synopsis

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Book SynopsisPresents detailed information and study cases on experiments on hydrotreating catalysts for the petroleum industry Catalytic hydrotreating (HDT) is a process used in the petroleum refining industry for upgrading hydrocarbon streamsremoving impurities, eliminating metals, converting asphaltene molecules, and hydrocracking heavy fractions. The major applications of HDT in refinery operations include feed pretreatment for conversion processes, post-hydrotreating distillates, and upgrading heavy crude oils. Designing HDT processes and catalysts for successful commercial application requires experimental studies based on appropriate methodologies. Experimental Methods for Evaluation of Hydrotreating Catalysts provides detailed descriptions of experiments in different reaction scales for studying the hydrotreating of various petroleum distillates. Emphasizing step-by-step methodologies in each level of experimentation, this comprehensive volume presents numerous examples of evaluation methods, operating conditions, reactor and catalyst types, and process configurations. In-depth chapters describe experimental setup and procedure, analytical methods, calculations, testing and characterization of catalyst and liquid products, and interpretation of experiment data and results. The text describes experimental procedure at different levels of experimentationglass reactor, batch reactor, continuous stirred tank reactor, and multiple scales of tubular reactorsusing model compounds, middle distillates and heavy oil. This authoritative volume: Introduces experimental setups used for conducting research studies, such as type of operation, selection of reactor, and analysis of productsFeatures examples focused on the evaluation of different reaction parameters and catalysts with a variety of petroleum feedstocksProvides experimental data collected from different reaction scalesIncludes experiments for determining mass transfer limitations and deviation from ideality of flow patternPresents contributions from leading scientists and researchers in the field of petroleum refining Experimental Methods for Evaluation of Hydrotreating Catalysts is an indispensable reference for researchers and professionals working in the area of catalytic hydrotreating, as well as an ideal textbook for courses in fields such as chemical engineering, petrochemical engineering, and biotechnology.Table of ContentsAbout the Editor xi Notes on Contributors xiii Preface xvii 1 Experimental Setups for Hydrotreating of Petroleum Fractions 1Jorge Ancheyta 1.1 Introduction 1 1.2 Type of Operation 2 1.3 Selection of the Reactor 2 1.4 Experimental Considerations for the Operation of the Laboratory Reactor 3 1.5 Considerations for Experimental Reactor Configuration 5 1.5.1 Configuration for Batch and Semi-batch Operation Modes 5 1.5.2 Configuration for Continuous Operation 6 1.6 Analysis of Products 7 1.6.1 Gases 7 1.6.2 Liquids 7 1.7 Conclusions 9 References 9 2 Experimentation in Glass Reactors with Model Compounds 11Mohan S. Rana, Pablo Torres-Mancera, and Jorge Ancheyta 2.1 Introduction 11 2.2 Glass Microreactor Design and Experimentation 14 2.2.1 Experimental Setup for Catalyst Evaluation 15 2.2.2 Measurement of Gas Flow 17 2.2.3 Control of Gas Flow 17 2.2.4 Determination of the Molar Concentration of Model Molecules Before Reaction 17 2.2.5 Calculation of Partial Pressure of Thiophene under Given Conditions 18 2.2.6 Reactor and Furnace Section 19 2.2.7 Heating Lines (After the Reactor) 19 2.2.8 Analysis (FID and TCD) 19 2.3 Basic Concepts of the Reactor 20 2.3.1 Reactor Model Considerations 20 2.3.2 Diffusion Limitations (Heat and Mass Transfer) 22 2.3.3 Experimental Procedure for HDS Thiophene Testing at Atmospheric Pressure 26 2.4 Model Compound Testing Focused on Support Properties 28 2.5 Model Compounds Hydrotreating Setup 28 2.5.1 Catalyst Activation 28 2.5.2 Thiophene HDS 29 2.6 Catalyst Composition and its Role in Catalytic Activity 31 2.7 Chemisorption and Measurement of Catalytic Site Experiments 33 2.7.1 Experimental Technology 34 2.7.2 LTOC Experiments 34 2.8 Relation Between Activity and Characterization 37 2.9 Calculation of the Kinetics Rate and Intrinsic Activity 38 2.10 Additional Data for Catalytic Activity in a Glass Reactor 39 2.11 Conclusions 41 References 42 3 Experimentation with Model Molecules in Batch Reactors 47Pablo Torres-Mancera, Patricia Rayo, and Jorge Ancheyta 3.1 Introduction 47 3.2 Considerations in Heterogeneous Catalytic Reactions 47 3.2.1 Integral Method 49 3.2.2 Differential Method 50 3.2.3 Effect of Temperature 52 3.2.4 Mass Transfer Effects 52 3.3 Catalytic Reaction Running Methodology 53 3.3.1 Catalyst Particle Size 54 3.3.2 Sulfiding Step 54 3.3.3 Reaction Test 55 3.3.4 Analysis of the Reaction Samples 55 3.4 Example of HDS of a Model Compound 56 3.4.1 Reaction 56 3.4.2 Analysis of Reaction Samples 56 3.4.3 Catalytic Activity 56 3.4.4 Reaction Network 59 3.4.5 Product Distribution 60 3.4.6 Selectivity Analysis 61 3.4.7 Deep Kinetic Analysis 61 3.4.8 Analysis of Mass Transfer Effects 63 3.5 Conclusions 64 References 65 4 Experimentation in Batch Reactors with Petroleum Distillates 67Gustavo Marroquín, José A.D. Muñoz, and Jorge Ancheyta 4.1 Introduction 67 4.2 Batch Reactors 68 4.2.1 Main Features 68 4.2.2 Use of Batch Reactors for Hydrotreating 69 4.2.3 Modes of Operation 70 4.2.4 Data Collection 71 4.2.5 Analysis of Experimental Data 77 4.2.6 Profiles in the Reactor 77 4.3 Experimental Study to Determine the Effectiveness Factors of Catalysts Using Petroleum Distillate 78 4.3.1 Experimental 78 4.3.2 Results and Discussion 79 4.4 Activation Energies of Petroleum Distillates During HDS Reactions 84 4.4.1 Experimental 85 4.4.2 Results and Discussion 85 4.4.3 Effect of Feed Properties on Kinetic Parameters 93 4.5 Conclusions 93 References 94 5 Experimentation with Heavy Oil in Batch Reactors 97Samir K. Maity, Guillermo Centeno, and Jorge Ancheyta 5.1 Introduction 97 5.2 Catalysts Used in Batch Reactors 101 5.2.1 Preparation of Supports 101 5.2.2 Preparation of Catalysts by Impregnation 102 5.3 Activation of Hydrotreating Catalysts 103 5.4 Experimental Setup for a Batch Reactor 104 5.4.1 Loading of Feed into the Batch Reactor 104 5.4.2 Catalyst Transfer to the Batch Reactor 105 5.4.3 Preparation of Experimental Setup and Leak Test 106 5.4.4 Pressuring Reactor with Hydrogen Gas 106 5.4.5 Test Run 106 5.4.6 Sample Withdraw During Runs at Different Time Intervals 107 5.4.7 Gas Sample Analysis 108 5.4.8 Separation of Solid Catalyst from the Liquid Sample 108 5.4.9 Cleaning of Solid Catalyst from Coke and Trapped Liquid 108 5.4.10 Analysis of Liquid Sample 110 5.4.11 Analysis of Coke and Used Catalyst 110 5.4.12 Cleaning the Reactor for the Next Experiment 110 5.5 Some Results Obtained in Batch Reactors 111 5.5.1 Measurement of Product Distribution by TGA 111 5.5.2 Effect of Operating Conditions on Hydrotreating Activities 112 5.6 Advantages and Disadvantages of Batch Reactors 114 5.6.1 Advantages 114 5.6.2 Disadvantages 116 5.7 Conclusions 116 References 117 6 Experimentation in Small-scale Continuous Fixed-bed Tubular Reactors 121Patricia Rayo, Fernando Alonso, and Jorge Ancheyta 6.1 Introduction 121 6.2 Experimental Setup 122 6.2.1 Small-scale Unit 122 6.2.2 Catalyst Loading 124 6.2.3 Catalyst Activation 125 6.2.4 Unloading of Catalyst 125 6.2.5 Characterization of Feed and Liquid Products 125 6.2.6 Characterization of Supports, and Fresh and Spent Catalysts 127 6.3 Effect of Diluent Composition 130 6.3.1 Experimental 130 6.3.2 Results and Discussion 130 6.3.3 Conclusions 136 6.4 Effect of Support 136 6.4.1 Synthesis of Supports 137 6.4.2 Results and Discussion 138 6.4.3 Conclusions 149 6.5 Effect of Support Modification 151 6.5.1 Synthesis of Supports 152 6.5.2 Results and Discussion 153 6.5.3 Conclusions 163 6.6 Effect of the Additive Incorporation Method 164 6.6.1 Feed and Synthesis of Supports and Catalysts 164 6.6.2 Results and Discussion 166 6.6.3 Conclusions 177 6.7 Effect of the Incorporation Method of Ti 178 6.7.1 Feed and Synthesis of Supports and Catalysts 179 6.7.2 Results and Discussion 180 6.7.3 Conclusions 186 References 187 7 Experimentation in Medium-scale Continuous Fixed-bed Tubular Reactors 191Fernando Alonso, Gustavo Marroquín, and Jorge Ancheyta 7.1 Introduction 191 7.2 Description of Experimental Setup and Procedure 192 7.2.1 Feedstock and Characterization 192 7.2.2 Description of the Pilot Plant 192 7.3 Mass Transfer Limitations in TBRs 201 7.3.1 Materials 201 7.3.2 Catalyst and Activation Procedure 201 7.3.3 Reaction Conditions 201 7.3.4 Results 203 7.3.5 Conclusions 213 7.4 Hydrotreating of Heavy Crude Oil 214 7.4.1 Materials 214 7.4.2 Operating Conditions 215 7.4.3 Analysis of Products 216 7.4.4 Results 217 7.4.5 Conclusions 224 7.5 Hydrodemetallization of Heavy Crude Oil with Ni-Mo/Alumina Catalysts 225 7.5.1 Materials 225 7.5.2 Experimental 225 7.5.3 Results 227 7.5.4 Conclusions 235 7.6 Hydrodesulfurization of Middle Distillates 236 7.6.1 Experimental 236 7.6.2 Results 241 7.6.3 Conclusions 249 References 249 8 Experimentation in Large-scale Continuous Fixed-bed Tubular Reactors 251Guillermo Centeno, Luis C. Castañeda, and Jorge Ancheyta 8.1 Introduction 251 8.2 Description of the Pilot-plant Unit 256 8.2.1 Feedstock Section 256 8.2.2 Reaction Section 257 8.2.3 Separation Section 257 8.2.4 Gas Washing Section 258 8.2.5 Product Stabilization Section 258 8.2.6 Gas Measurement 258 8.2.7 Gas Sampling and Analyzer 258 8.3 Results and Discussion 258 8.3.1 HDT of Hydrocracked Residue obtained from a 16°API Crude Oil 258 8.3.2 Hydrotreating of Highly Aromatic Petroleum Distillates 263 8.3.3 Characterization of Spent Catalyst from Residue Hydrotreating 264 8.3.4 Reaction Kinetics for Hydrotreating of Residue 284 8.4 Conclusions 290 Nomenclature 291 Greek Symbols 291 Subscripts 291 Superscripts 292 References 292 9 Experimentation in Large-scale Continuous Ebullated-bed Reactors 295José A.D. Muñoz, Guillermo Centeno, and Jorge Ancheyta 9.1 Introduction 295 9.1.1 Characteristics of Ebullated Bed Reactors 295 9.1.2 Parts of an Ebullated Bed Reactor 296 9.1.3 Advantages and Disadvantages 298 9.1.4 Catalyst 299 9.1.5 Sediment Formation 300 9.2 Experimental 301 9.2.1 EBR Experimental Unit 301 9.2.2 Catalyst Loading 303 9.2.3 Catalyst Bed Expansion 303 9.2.4 Operating Conditions 306 9.2.5 Starting-up, Adjustment, and Stabilization of Conditions 308 9.2.6 Catalyst Activation 312 9.3 Results and Discussion 312 9.3.1 Operating Conditions 312 9.3.2 Real Conversion and Yields 312 9.3.3 Effect of Pressure 317 9.3.4 Effect of Hydrogen Purity 325 9.3.5 Effect of LHSV 329 9.3.6 Hydrogen Consumption 336 9.4 Conclusions 336 References 337 10 Experimentation in Continuous Stirred Tank Reactors 341Luis C. Castañeda, José A.D. Muñoz, and Jorge Ancheyta 10.1 Introduction 341 10.2 Hydrocracking/Hydrotreating Experiments in CSTRs 343 10.2.1 Hydrocracking of an Atmospheric Residue (343°C+) 345 10.2.2 Hydrocracking of an Atmospheric Residue (312°C+) 351 10.2.3 Parallel Thermal and Catalytic Hydrotreating of Heavy Oil 352 10.2.4 Deactivation of a Hydrotreating Catalyst in a Bench-scale CSTR 358 10.3 Results and Discussion 359 10.3.1 Hydrocracking of an Atmospheric Residue (343°C+) 359 10.3.2 Hydrocracking of an Atmospheric Residue (312°C+) 361 10.3.3 Parallel Thermal and Catalytic Hydrotreating of Heavy Oil 369 10.3.4 Deactivation of a Hydrotreating Catalyst in a Bench-scale CSTR 378 10.4 Conclusions 390 Nomenclature 391 Greek Symbols 392 Subscripts 393 References 394 Index 399

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Book SynopsisThe Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topicscentered on molecular modeling, such ascomputer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume31 include:Lattice-Boltzmann Modeling of Multicomponent Systems: An IntroductionModeling Mechanochemistry from First PrinciplesMapping Energy Transport Networks in ProteinsThe Role of Computations in CatalysisThe Construction of Ab Initio Based Potential Energy SurfacesUncertainty Quantification for Molecular DynamicsTable of ContentsList of Contributors ix Preface xi Contributors to Previous Volumes xv 1 Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction 1Ulf D. Schiller and Olga Kuksenok Introduction 1 The Lattice Boltzmann Equation: A Modern Introduction 4 A Brief History of the LBM 5 The Lattice Boltzmann Equation 7 The Fluctuating Lattice Boltzmann Equation 23 Boundary Conditions 25 Fluid–Particle Coupling 30 LBM for Multiphase Fluids 37 Governing Continuum Equations 37 Lattice Boltzmann Algorithm for Binary Fluid: Free-Energy Approach 42 Minimizing Spurious Velocities 47 Conclusions 50 References 51 2 Mapping Energy Transport Networks in Proteins 63David M. Leitner and Takahisa Yamato Introduction 63 Thermal and Energy Flow in Macromolecules 65 Normal Modes of Proteins 65 Simulating Energy Transport in Terms of Normal Modes 69 Energy Diffusion in Terms of Normal Modes 70 Energy Transport from Time Correlation Functions 73 Energy Transport in Proteins is Inherently Anisotropic 75 Locating Energy Transport Networks 77 Communication Maps 77 CURrent calculations for Proteins (CURP) 80 Applications 83 Communication Maps: Illustrative Examples 83 CURP: Illustrative Examples 89 Future Directions 98 Summary 99 Acknowledgments 100 References 100 3 Uncertainty Quantification for Molecular Dynamics 115Paul N. Patrone and Andrew Dienstfrey Introduction 115 From Dynamical to Random: An Overview of MD 118 System Specification 119 Interatomic Potentials 121 Hamilton’s Equations 123 Thermodynamic Ensembles 128 Where Does This Leave Us? 131 Uncertainty Quantification 131 What is UQ? 132 Tools for UQ 136 UQ of MD 143 Tutorial: Trajectory Analysis 143 Tutorial: Ensemble Verification 148 Tutorial: UQ of Data Analysis for the Glass-Transition Temperature 151 Concluding Thoughts 161 References 162 4 The Role of Computations in Catalysis 171Horia Metiu, Vishal Agarwal, and Henrik H. Kristoffersen Introduction 171 Screening 172 Sabatier Principle 173 Scaling Relations 175 BEP Relationship 176 Volcano Plots 180 Some Rules for Oxide Catalysts 189 Let Us Examine Some Industrial Catalysts 191 Sometimes Selectivity is More Important than Rate 191 Sometimes We Want a Smaller Rate! 191 Sometimes Product Separation is More Important than the Reaction Rate 193 Some Reactions are Equilibrium-limited 193 The Cost of Making the Catalyst is Important 194 The Catalyst Should Contain Abundant Elements 194 A Good Catalyst Should not be Easily Poisoned 195 Summary 195 References 196 5 The Construction of Ab Initio-Based Potential Energy Surfaces 199Richard Dawes and Ernesto Quintas-Sánchez Introduction and Overview 199 What is a PES? 199 Significance and Range of Applications of PESs 204 Challenges for Theory 207 Terminology and Concepts 209 The Schrödinger Equation 209 The BO Approximation 210 Mathematical Foundations of (Linear) Fitting 215 Quantum Chemistry Methods 221 General Considerations 221 Single Reference Methods 223 Multireference Methods 225 Compound Methods or Protocols 227 Fitting Methods 229 General Considerations and Desirable Attributes of a PES 229 Non-Interpolative Fitting Methods 231 Interpolative Fitting Methods 239 Applications 242 The Automated Construction of PESs 242 Concluding Remarks 248 Acknowledgements 250 Acronyms/Abbreviations 250 References 251 6 Modeling Mechanochemistry from First Principles 265Heather J. Kulik Introduction and Scope 265 Potential Energy Surfaces and Reaction Coordinates 266 Theoretical Models of Mechanochemical Bond Cleavage 268 Linear Model (Kauzmann, Eyring, and Bell) 268 Tilted Potential Energy Profile Model 270 First-Principles Models for Mechanochemical Bond Cleavage 271 Constrained Geometries Simulate External Force (COGEF) 271 Force-Modified Potential Energy Surfaces 273 Covalent Mechanochemistry 278 Overview of Characterization Methods 278 Representative Mechanophores 280 Representative Mechanochemistry Case Studies 281 Benzocyclobutene 281 gem-Difluorocyclopropane 285 PPA: Heterolytic Bond Cleavage 288 Mechanical Force for Sampling: Application to Lignin 292 Best Practices for Mechanochemical Simulation 296 Conclusions 298 Acknowledgments 299 References 300 Index 313

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Book SynopsisThe ultimate resource in organoboron chemistry Professor Mark Gandelman and his colleagues delve deeply into the theory, structure, analysis, synthesis, and reactions of organoboron chemistry in The Chemistry of Organoboron Compounds. Organoborons are used heavily as highly efficient reagents in many reactions, including cross-coupling and radical reactions. The highly regarded authors have tied together organic-chemical and physico-chemical knowledge usually unavailable from a single source. The book focuses on the use of completely biodegradable green reagents, as opposed to environmentally hazardous heavy metal catalysts. The Chemistry of Organoboron Compounds delivers comprehensive and complete information on: The behavior of organoboron compounds The use of organoboron compounds in organic synthesis The commercial applications of organoboron compounds As a volume in the celebrated Patai book series,Table of Contents1. Catalytic asymmetric Swuzuki–Miyaura couplings 1 F. Wieland Goetzke, Lucy van Dijk, and Stephen P. Fletcher 2. Metal-catalyzed hydroboration reactions of alkyne and subsequent asymmetric transformation 55 Jun Guo and Zhan Lu 3. Aspects of the chemical energetics of species with carbon–boron bonds and related compounds 91 Suzanne W. Slayden and Joel F. Liebman 4. Electrochemistry of organoboron compounds 115 Toshio Fuchigami and Shinsuke Inagi 5. The chemistry of organotrifluoroborates 141 Livia N. Cavalcanti, Júlia C. C. V. Bento, and Gary A. Molander 6. The chemistry of organoboron species: classification and basic properties 221 Cory Williams, Mario Luis, Ivan Lopez, and Adiel Coca 7. Recent advances in the stereoselective additions of allylic boronates to carbonyl compounds 243 Helen A. Clement and Dennis G. Hall 8. Synthesis and reactivity of bora- and borata-benzenes 329 Ivo Krummenacher, Julia K. Schuster, and Holger Braunschweig 9. Boron-doped polycyclic aromatic hydrocarbons (B-PAHs): synthesis, properties, and applications 367 María M. Lorenzo-García, Francesco Fasano, and Davide Bonifazi 10. The chemistry of multibonded organoboron compounds 461 Marc Devillard and Gilles Alcaraz 11. 1,2-Metallate rearrangement of boron derivatives 561 Joseph M. Bateman and Varinder K. Aggarwal 12. Photochemical transformations involving organoboron 657 Soren K. Mellerup and SuningWang 13. Synthesis and reactivity of 1,1- and 1,2-bisboronate species 701 Rajender Nallagonda, Nivesh Kumar, Rajasekhar Reddy Reddy, Israa Shioukhi, Hila Sagi, and Ahmad Masarwa 14. Copper-catalyzed addition of diboron species 773 Alejandro Parra, Laura Trulli, and Mariola Tortosa 15. The chemistry of boron enolate: synthesis and reactivity 855 Atsushi Abiko 16. Boron-mediated radical reactions 931 Emy André-Joyaux, Lars Gnägi, Manuel Gnägi-Lux, Camilo Andrés Melendez Becerra, Valentin Soulard, Nicholas D. C. Tappin, and Philippe Renaud 17. Boron-based frustrated Lewis pairs in hydrogenation catalysis 1033 Douglas W. Stephan 18. Boron-based frustrated Lewis pairs in organic transformations 1061 Roman Dobrovetsky Subject index 1109

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Book SynopsisThe definitive leadership guide on safe practices The release of chemicals and other hazardous materials pose significant, potentially catastrophic threats worldwide. An alarming number of such events, all of which are preventable, occur too often. Reducing the frequency of serious incidents is a fundamental responsibility of leadership at all levels, from frontline managers and supervisors to C-suite executives and the board of directors as well.Process Safety Leadership from the Boardroom to the Frontlineis a practical, authoritative guide that clearly demonstrates how to create a viable culture of safety within an organization, implement and maintain disciplined management systems, and address the risks of process safety deficiencies. The most important factor in any management system is leadership. For chemical process safety management, effective and informed leadership provides direction, reinforces commitment, and drives responsibility. Written by experts from the Center for Table of ContentsAcronyms and Abbreviations xi Acknowledgements xiii Nomenclature and Style xv Preface xvii Executive Summary xix How to Use this Book xxv 1 The Business Case for Process Safety 1 1.1 Corporate Social Responsibility 2 1.2 Business Flexibility 4 1.3 Loss Prevention 5 1.4 Sustainable Growth 7 1.5 Leadership Excellence 9 1.6 Summary 9 1.7 References 10 1.8 Incidents Represented in Figure 1.2 12 2 Leading and Managing Process Safety 13 2.1 Process Safety Definition 13 2.2 How Process Safety Works: Risk Reduction and Risk Management to Eliminate Accidents 22 2.3 Learning from Incidents 25 2.4 Personal Leadership Accountability 30 2.5 Downturns and Boom Times: Special Process Safety Leadership Challenges 34 2.6 Compliance: Required but not Enough 39 2.7 Management Systems: Helpful but not Sufficient 43 2.8 References 44 3 Leadership Attributes 47 3.1 Creating a Shared Vision 48 3.1.1 Establish the Imperative for Process Safety 48 3.1.2 Reflect the Imperative in Your Words and Actions 51 3.1.3 Drive the Imperative Throughout the Organization 54 3.1.4 Earn the Social License to Operate 57 3.2 Develop and Maintain Knowledge and Competence 60 3.2.1 Personal Knowledge and Competence 60 3.2.2 Develop and Empower Others 64 3.3 Show Integrity and Commitment 71 3.3.1 Courage and Conviction 71 3.3.2 Accountability 73 3.3.3 Responsiveness 76 3.3.4 Consistency 78 3.4 Communicate with Inspiration 80 3.4.1 Stay Connected and Visible 80 3.4.2 Influence and Drive Process Safety Culture 83 3.5 References 91 4 Leadership of the Process Safety Management System 93 4.1 Identify Required Barriers 94 4.1.1 Start with Risk Criteria and a Risk Matrix 95 4.1.2 Analyze Hazards and Risks 98 4.1.3 Identify Required Barriers 101 4.2 Manage Barriers 102 4.2.1 Conduct of Operations and Operational Discipline 102 4.2.2 Standards 110 4.2.3 Asset Integrity and Mechanical Integrity 113 4.2.4 Operating Procedures and Safe Work Practices 116 4.2.5 Management of Change 118 4.2.6 Emergency Management – Preparation and Response 123 4.3 Manage Competency (Organizational Capability) 127 4.3.1 Competency 128 4.3.2 Effective Training 130 4.3.3 Process Knowledge Management 133 4.3.4 Contractor Management 135 4.4 Verify Performance and Improve 139 4.4.1 Audits 139 4.4.2 Metrics 141 4.4.3 Incident Investigation and Resulting Actions 143 4.4.4 Management Review and Continual Improvement 146 4.5 Build and Strengthen Culture 151 4.5.1 Introduction to Culture 151 4.5.2 Workforce Involvement 152 4.5.3 Stakeholder Outreach 155 4.6 Summary 158 4.7 References 159 5 Leadership Roles and Accountabilities 161 Table 5.1 Executive Leadership Role 164 Table 5.2 Operations Leadership Role 166 Table 5.3 Engineering Leadership Role 168 Table 5.4 EH & S Leadership Role 170 Table 5.5 Research and Development (R & D) Leadership Role 172 Table 5.6 Purchasing Leadership Role 174 Table 5.7 Human Resources Leadership Role 176 Table 5.8 Plant Superintendent Role 178 Table 5.9 Maintenance Leadership Role 180 Table 5.10 Plant Engineer Role 182 Table 5.11 Plant Operator Role 184 Table 5.12 Maintenance Technician Role 187 Table 5.13 Process Safety Specialist Role 189 6 Deploying Process Safety Leadership Accountability and Responsibility 191 Table 6.1 Corporate Process Safety Leadership Team RACI Matrix 193 Table 6.2 Operations Leadership Team RACI Matrix 197 7 Make it Happen 201 7.1 References 207 Index 209

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Book SynopsisA thorough introduction to environmental monitoring in the oil and gas industry Analytical Techniques in the Oil and Gas Industry for Environmental Monitoring examines the analytical side of the oil and gas industry as it also provides an overall introduction to the industry. You'll discover how oil and natural gas are sourced, refined, and processed.You can learn about what's produced from oil and natural gas, and why evaluating these sourced resources is important. The book discusses the conventional analyses for oil and natural gas feeds, along with their limitations. It offers detailed descriptions of advanced analytical techniques that are commercially available, plus explanations of gas and oil industry equipment and instrumentation. You'll find technique descriptions supplemented with a list of references as well as with real-life application examples. With this book as a reference, you can prepare to apply specific analytical methods in your organization's lab environment. ATable of ContentsPart I Scope 1 1 Introduction 3Melissa N. Dunkle and William L. Winniford 1.1 Introduction 3 1.1.1 Petroleum Cycle 3 1.1.2 Well-Known Cases of Environmental Contamination 4 1.1.2.1 Oil-Drilling Rig Deepwater Horizon 4 1.1.2.2 Sanchi Oil Tanker Collision 6 1.1.3 Summary 6 1.2 Petroleum 7 1.3 Analytics 9 1.4 Reservoir Tracers 12 1.5 Emissions from the Petroleum Industry 12 1.6 Environmental Analysis and Monitoring 14 1.7 Conclusions 17 References 17 Part II Introduction to the Petroleum Industry 21 2 Petroleum: From Wells to Wheels 23Clifford C. Walters, Steven W. Levine, and Frank C. Wang 2.1 Introduction 23 2.2 Petroleum in the Ancient World 23 2.3 The Petroleum System 28 2.3.1 Source Rocks 28 2.3.2 Generation of Petroleum 34 2.3.3 Migration and Accumulation 35 2.4 The Upstream 37 2.4.1 Exploration 37 2.4.1.1 Play and Prospect Evaluation 38 2.4.1.2 Predicting Petroleum Quantity and Quality 43 2.4.2 Drilling 45 2.4.2.1 Development of Drilling Technology 46 2.4.2.2 Modern Drilling Practices 49 2.4.2.3 Well Logging 52 2.4.2.4 Development 57 2.4.3 Production 58 2.4.3.1 Primary, Secondary, and Tertiary Production 58 2.4.3.2 Surface Oil Sands 61 2.4.3.3 Unconventional Resources 61 2.4.3.4 Plug and Abandonment 66 2.5 Mid-Stream 67 2.5.1 Transportation 67 2.5.2 Storage 70 2.6 Downstream 72 2.6.1 Evolution of Modern Refining 72 2.6.2 Modern Refinery Processes 73 2.6.2.1 Crude Oil Pretreatment 75 2.6.2.2 Separation 75 2.6.2.3 Conversion 81 2.6.2.4 Purification 95 2.6.2.5 Sweetening and Treating 100 2.6.3 Fuel Products 102 2.6.3.1 Mogas (Motor Gasoline) 103 2.6.3.2 Diesel 104 2.6.3.3 Jet Fuels/Kerosene 106 2.6.3.4 Fuel Oil 106 2.6.3.5 Liquefied Petroleum Gas (LPG) 107 2.7 Petrochemicals 107 2.7.1 Olefins: Prime and Higher Olefins 107 2.7.2 Aromatics 109 2.7.3 Lubes 109 2.7.4 Other Products 110 2.8 The Future of Petroleum 110 References 112 Part III Analytical Techniques Utilized in the Petroleum Industry 121 3 Petroleum Analysis Through Conventional Analytical Techniques 123Melissa N. Dunkle and William L. Winniford 3.1 Introduction to Petroleum Analysis 123 3.2 Brief History on Petroleum Analysis 123 3.2.1 How Petroleum Analysis Influenced Developments in Gas Chromatography 124 3.2.1.1 Detector Technology 125 3.2.1.2 Column Technology 132 3.3 Conventional Analysis of Petroleum 135 3.3.1 Distillation 136 3.3.2 PIONA Analyzer 137 3.3.3 Detailed Hydrocarbon Analysis 138 3.3.4 GC-MS Analysis for Unknown and Biomarker Identification 139 3.3.4.1 Diamondoids 140 3.3.4.2 Naphthenic Acids 141 3.3.4.3 Biomarkers 142 3.3.5 Total Petroleum Hydrocarbon (TPH) and Polycyclic Aromatic Hydrocarbon (PAH) and Their Environmental Impact 145 3.3.6 Tar Analysis 146 3.3.7 Analysis of Heteroatoms and Heavy Metals 149 3.3.7.1 Heteroatoms 149 3.3.7.2 Heavy Metals 150 3.3.8 Additional Analytical Applications for Petroleum 150 References 150 4 Advanced Analytics for the Evaluation of Oil, Natural Gas, and Shale Oil/Gas 161Emmie Dumont, Pat Sandra, Kyra A. Murrell, Frank L. Dorman, Allegra Leghissa, and Kevin A. Schug 4.1 IRMS in the Oil and Gas Industry 161 4.1.1 IRMS: General 161 4.1.1.1 Introduction 161 4.1.1.2 Isotopic Fingerprint 162 4.1.2 IRMS: The Technique 164 4.1.2.1 Introduction 164 4.1.2.2 Ionization 164 4.1.2.3 Mass Analyzer 164 4.1.2.4 Detection 165 4.1.2.5 Referencing 165 4.1.2.6 Bulk Analysis 165 4.1.3 Compound Specific IRMS 166 4.1.3.1 Introduction 166 4.1.3.2 GC-IRMS 166 4.1.3.3 LC-IRMS 167 4.1.3.4 Two-Dimensional GC-IRMS 168 4.1.4 IRMS Applications in the Oil and Gas Industry 169 4.1.4.1 Introduction 169 4.1.4.2 Oil Fingerprinting 171 4.1.4.3 Air Pollution 172 4.1.4.4 Differentiating Oil Derived Products 174 4.1.4.5 Inherent Tracers for Carbon Capture and Storage (CCS) 174 4.1.5 Conclusions Over Utilization of IRMS in the Oil and Gas Industry 176 4.2 Advanced Analytics for the Evaluation of Oil, Natural Gas, and Shale Oil/Gas: Comprehensive GC (GC × GC) 176 4.2.1 Background 176 4.2.2 Basic Principles of GC× GC: Instrumentation 178 4.2.3 Basic Principles of GC× GC: Columns 180 4.2.4 Basic Principles of GC× GC: Modulators 184 4.2.5 Basic Principles of GC× GC: Detectors 186 4.2.6 Basic Principles of GC× GC: Data Processing 187 4.2.7 Petrochemical Applications: Group-Type Analysis 190 4.2.8 Petrochemical Applications: Contaminated Soil and Sediments 193 4.2.9 Petrochemical Applications: Marine Oil Spills 196 4.2.10 Petrochemical Applications: Hydraulic Fracturing 199 4.2.11 Conclusions of Utilizing GC×GC in the Oil and Gas Industry 201 4.3 Petroleum and Hydrocarbon Analysis by Gas Chromatography: Vacuum Ultraviolet Spectroscopy 202 4.3.1 Introduction to GC-VUV 202 4.3.2 GC-VUV Data Processing 204 4.3.2.1 Time Interval Deconvolution (TID) Algorithm 206 4.3.2.2 Pseudo-absolute Quantitation 208 4.3.3 GC-VUV Applications 210 4.3.4 GC-VUV Conclusions 214 References 215 5 Liquid Chromatography: Applications for the Oil and Gas Industry 225Denice van Herwerden, Bob W. J. Pirok, and Peter J. Schoenmakers 5.1 Introduction 225 5.1.1 Petroleum Industry 225 5.1.2 Introduction to Liquid Chromatography 226 5.2 Group-Type Separations 228 5.2.1 Group-Type Separations of Heavy Distillates 228 5.2.2 Other Group-Type Separations 232 5.3 Molecular-Weight Distribution 233 5.4 Target Analysis 236 5.4.1 Polyaromatic Hydrocarbons 236 5.4.2 Naphthenic Acids 240 5.4.3 Phenols 244 5.5 LC as a Pre-separation Technique for GC Analysis 245 5.6 Conclusions 247 References 248 6 Supercritical Fluids in Chromatography: Applications to the Oil and Gas Industry 259Didier Thiébaut and Robert M. Campbell 6.1 Introduction 259 6.2 Basics of SFC 260 6.2.1 Packed Column SFC 262 6.2.1.1 Implementation 262 6.2.1.2 Applications of Packed Column SFC 264 6.2.2 Capillary SFC 265 6.3 Simulated Distillation (SIMDIST) 266 6.3.1 Experimental 267 6.3.2 Results 267 6.4 Group-Type and Related Separations 270 6.4.1 Heavy Samples 271 6.4.2 Additives 272 6.5 Detailed Separations 273 6.5.1 Surfactant and Alkoxylate Polymer Analysis by SFC 273 6.5.1.1 Open Tubular Columns 273 6.5.1.2 Packed Capillary Column SFC of Surfactants 274 6.5.2 Packed Column SFC of Surfactants 275 6.5.2.1 Surfactants by Sub-2 μm Particle Packed Column SFC 276 6.5.2.2 Surfactant Characterization by SFC/MS: Software-Assisted Deconvolution of Co-polymers 280 6.5.2.3 CO2 Cloud Point Pressures of Non-ionic Surfactants by Capillary and Packed Column SFC 280 6.5.2.4 CO2/Water Partition Coefficients by SFC 280 6.5.2.5 SFC of Ionic Surfactants 281 6.5.3 Capillary SFC of Surfactants 281 6.5.3.1 Large Volume Injection in Capillary SFC 281 6.5.3.2 Splitless Injection in Capillary SFC 282 6.5.4 Separations of Polyaromatic Hydrocarbons (PAHs) 283 6.5.5 SFC in Multidimensional Separations 285 6.5.5.1 LC× SFC 285 6.5.5.2 Feasibility of SFC× SFC 287 References 288 7 Online and In Situ Measurements for Environmental Applications in Oil and Gas 299Eric Schmidt, J.D. Tate, William L. Winniford, and Melissa N. Dunkle 7.1 Introduction 299 7.2 Characteristics of On-line Analyzers 300 7.2.1 Zone Classification 300 7.2.2 Sampling Systems 301 7.2.3 Detection 302 7.3 Water Analysis 302 7.3.1 General Water Analysis 302 7.3.2 Application: Benzene in Drinking Water 303 7.4 Air Quality and Emissions Monitoring 304 7.4.1 Regulations 305 7.4.1.1 US Air Monitoring 305 7.4.1.2 European Union Air Monitoring 305 7.4.2 Proton Transfer Reaction Mass Spectrometry for Emission Monitoring 307 7.5 Sample Conditioning 309 7.6 Well Drilling and Production 309 7.6.1 Well Logging 310 7.6.2 Emissions 312 7.7 Texas Commission on Environmental Quality 312 7.8 Fenceline Monitoring 313 7.9 Pipeline and Fugitive Emission Monitoring with Drones 317 7.10 Types of Continuous Emission Monitors 317 7.10.1 Nondispersive IR (NDIR) 317 7.10.2 UV and Dispersive IR 319 7.10.3 Chemiluminescent NOx/SOx Analyzers 319 7.10.4 TDL Analyzers 320 7.10.5 QCL Analyzers 321 7.11 Portable GCs 321 References 324 Part IV Special Cases and Examples Related to the Petroleum Industry 329 8 Tracers for Oil and Gas Reservoirs 331William L. Winniford and Melissa N. Dunkle 8.1 Introduction 331 8.2 Types of Tracers 334 8.2.1 Radioactive Water Tracers 334 8.2.2 Radioactive Gas Tracers 336 8.2.3 Radioactive Measurement Techniques 336 8.2.4 Example Studies of Radioactive Tracers 338 8.2.5 Chemical Water Tracers 338 8.2.6 Chemical Gas Tracers 339 8.2.7 Naturally Occurring Tracers 340 8.2.7.1 Isotopes 340 8.2.7.2 Biomarkers 341 8.3 Regulations 341 References 343 9 Environmental Impact of Emissions Originating from the Petroleum Industry 347Melissa N. Dunkle and William L. Winniford 9.1 Global Warming 347 9.1.1 Causes of Global Warming 347 9.1.2 Combatting Global Warming 349 9.2 Environmental Impact of Diesel Emissions 350 9.2.1 Diesel Engine 350 9.2.2 Diesel Exhaust 350 9.2.3 Diesel Engine Modifications 351 9.2.4 Diesel Fuel Modifications 354 9.2.4.1 Low Sulfur Diesel 355 9.2.4.2 Ultra-Low Sulfur Diesel 355 9.2.4.3 Biodiesel 355 9.2.4.4 Modification of Diesel and Biodiesel with Oxygenates 357 9.2.5 Sulfur Monitoring of Diesel Fuels 358 9.2.6 Monitoring Air Pollution/Haze 359 9.3 Environmental Impact of Fossil Fuel Sourcing and Energy Conversion on Global Warming 360 9.3.1 Coal Mining, Natural Gas Wells, and Methane Release 360 9.3.1.1 Coal Mine Methane 362 9.3.1.2 Natural Gas Methane 363 9.3.2 Fossil Fuel Power Stations 363 9.3.2.1 Coal-Fired Power Station 363 9.3.2.2 Gas-Fired Power Station 364 9.3.3 Emissions from Fossil Fuel Power Stations 364 9.3.3.1 Carbon Dioxide 365 9.3.3.2 Sulfur Dioxide 366 9.3.3.3 Nitrogen Oxides 367 9.3.3.4 Particulate Matter (PM) 367 9.3.3.5 Coal Ash and Heavy Metals 368 9.3.4 Wastewater from Fossil Fuel Power Stations 369 9.3.5 Analysis of Ground Water 371 References 371 Part V Environmental Analysis 379 10 Environmental Analysis of Soil, Water, and Air 381Paige Teehan, Kyra A. Murrell, Romano Jaramillo, A. Paige Wicker, Robert Parette, Kevin A. Schug, and Frank L. Dorman 10.1 Water and Soil Monitoring 381 10.2 Total Petroleum Hydrocarbons in Soil 382 10.2.1 Introduction 382 10.2.2 Soil as a Matrix 383 10.2.3 Sample Preparation 383 10.2.3.1 Collection and Preservation 384 10.2.3.2 Extraction 384 10.2.3.3 Concentration 384 10.2.3.4 Cleanup 384 10.2.4 Sample Analysis 386 10.3 Volatile Organic Compound Analysis 389 10.3.1 Introduction 389 10.3.2 Methane Monitoring 389 10.3.2.1 Cavity Ring-Down Laser Spectrometry Techniques 390 10.3.2.2 Mobile Platforms for Bottom-Up Analyses 391 10.3.2.3 Aircraft-Based Top-Down Analysis 392 10.3.3 Non-Methane VOC Monitoring 392 10.3.3.1 Air Sampling 392 10.3.3.2 Analysis of Air Samples 393 10.4 Water Analysis 393 10.4.1 Introduction 393 10.4.2 Sample Preparation 395 10.4.3 Sample Analysis 397 10.5 Portable GCs for Field Monitoring 402 10.5.1 Introduction 402 10.5.2 Analyzing Field Samples 403 10.6 Fingerprinting in the Oil and Gas Industry 404 10.6.1 Introduction 404 10.6.2 Hydrocarbon Fingerprinting 405 10.6.3 Additional Texts on Fingerprinting Oil Spills and Petroleum Products 405 References 406 Part VI Future Trends in the Petroleum Industry 417 11 Future Trends 419William L. Winniford and Melissa N. Dunkle 11.1 Introduction 419 11.2 Climate Change 421 11.3 Likely Scenarios 422 11.3.1 Gas Emissions 422 11.3.2 Water Emissions 425 11.3.3 Oil Sands 427 11.3.4 Food Contact – MOSH/MOAH 428 11.3.5 Industry 4.0 and the 4thWave of Environmentalism 428 11.4 Summary 430 References 430 Index 433

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Book SynopsisThis timely and important book aims to help achieve a more sustainable textile industry; researchers from both textile and environmental domains will benefit from reading it. Since it is imperative to rehabilitate our damaged environmental ecosystems, there is a pressing demand for more sustainable green processes in the textile and clothing industry. As a consequence, greater emphasis needs to be placed on research into eco-friendly processes particularly suited for this industry. With this goal in mind, all environmental aspects relating to the textile and clothing industry are discussed in this book in four broad areas: Highlights the negative impact on the environment by textile industries; Discusses textiles finishing by natural or eco-friendly means; Promotes natural dyes as environment-friendly alternatives to synthetics; Reviews textile effluents remediation via chemical, physical and bioremediation. Include

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Book SynopsisPrevent operational incidents and reduce risks with an essential CCPS guide You can help your company reduce its operating risks by learning how to effectively manage transient operations and avoid major incidents. Startups and shutdowns, known as transient operations, can be high-risk periods for manufacturing facilities. Guidelines for Process Safety During Transient Operations offers useful guidance in preparing for the safe startup and shutdown of chemical processes.?With an understanding of the risks involved, you can work proactively to prevent fatalities, serious injuries, reduced productivity, and costly damage. This essential guide for plants provides clear examples of how to anticipate and avoid major issues. The book examines safe shutdown procedures in the event of an emergency. You will also gain direction on how to resume operations safely after an unexpected shutdown. The book supports anyone tasked with regulating and overseeing chemical pTable of ContentsList of Figures x iii List of Tables xv Acronyms and Abbreviations x vii Glossary xix Acknowledgments xxv Dedication x xvii Foreword xxix Preface x xxiii 1 Introduction 1 1.1 Introduction 1 1.2 Scope 1 1.3 Audience 5 1.4 Benefits 6 1.5 Applying CCPS Risk Based Process Safety (RBPS) 6 1.6 Incident discussions and guidance 7 1.7 Framework 8 2 Defining the Transition Times 16 2.1 Introduction 16 2.2 Defining the modes of operation 16 2.3 Responses to deviations during operations 17 2.4 A start-up incident 23 Part I—Normal Operations 3 Normal Operations 29 3.1 Introduction 29 3.2 The normal operation 29 3.3 Procedures 37 3.4 Performing a normal shut-down 39 3.5 Start-up after a normal shut-down 40 3.6 Incidents and lessons learned 41 3.7 How the RBPS elements apply 43 4 Process Shutdowns 45 4.1 Introduction 45 4.2 The process shutdown 46 4.3 Projects requiring equipment or process unit shutdowns 48 4.4 A brief project life cycle phase overview 52 4.5 Preparing for planned project-related shutdowns 62 4.6 Start-up after planned project-related shutdowns 66 4.7 Incidents and lessons learned 69 4.8 How the RBPS elements apply 72 5 Facility Shutdowns 73 5.1 Introduction 73 5.2 The facility shutdown 73 5.3 Projects requiring a process unit or facility project-related shutdown 75 5.4 Preparing for a facility project-related shutdown 80 5.5 Start-up after a facility project-related shutdown 81 5.6 Incidents and lessons learned 83 5.7 How the RBPS elements apply 95 Part II—Abnormal and Emergency Operations 6 Recovery 99 6.1 Introduction 99 6.2 Recovering from an abnormal operation 99 6.3 Anticipating abnormal operations 100 6.4 Managing abnormal operations 103 6.5 Incidents and lessons learned 110 6.6 How the RBPS elements apply 113 7 Unscheduled Shutdowns 115 7.1 Introduction 115 7.2 Unscheduled shutdowns 115 7.3 Anticipating and preparing for unscheduled shutdowns 116 7.4 Start-up after activating an unscheduled shut-down 119 7.5 Managing unscheduled shutdowns caused by natural hazard events 121 7.6 Incidents and lessons learned 126 7.7 How the RBPS elements apply 139 8 Emergency Shutdowns 141 8.1 Introduction 141 8.2 Emergency shutdowns 141 8.3 Safely responding to an incident 142 8.4 Anticipating and preparing for shut-downs in an emergency 143 8.5 Start-up after an emergency shutdown 150 8.6 Incidents and lessons learned 153 8.7 How the RBPS elements apply 156 Part III—Other Considerations 9 Other Transition Time Considerations 159 9.1 Introduction 159 9.2 A Life Cycle overview 160 9.3 Commissioning and initial start-up considerations 167 9.4 Incidents and lessons learned, commissioning and initial start-ups 174 9.5 End-of-life shut-down considerations 179 9.6 Mothballing considerations 182 9.7 Incidents and lessons learned, mothballing 183 9.8 Decommissioning considerations 184 9.9 Incidents and lessons learned, decommissioning 185 9.10 How the RBPS elements apply 186 10 Risk Based Process Safety (RBPS) Considerations 187 10.1 Introduction 187 10.2 An RBPS Overview 189 10.3 Applying RBPS to each transient operating mode 194 10.4 Effects of weak operational discipline 204 10.5 Approach for improving process safety performance 205 Appendix A 209 Transient operating modes: incident review and guidance 209 A.1 Introduction 209 A.2 Review of incidents during transient operating modes 209 A.3 Managing the unexpected during transient operating modes 223 References 237 Index 250

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Book SynopsisSince the publication of the second edition several United States jurisdictions have mandated consideration of inherently safer design for certain facilities. Notable examples are the inherently safer technology (IST) review requirement in the New Jersey Toxic Chemical Prevention Act (TCPA), and the Inherently Safer Systems Analysis (ISSA) required by the Contra Costa County (California) Industrial Safety Ordinance. More recently, similar requirements have been proposed at the U.S. Federal level in the pending EPA Risk Management Plan (RMP) revisions. Since the concept of inherently safer design applies globally, with its origins in the United Kingdom, the book will apply globally. The new edition builds on the same philosophy as the first two editions, but further clarifies the concept with recent research, practitioner observations, added examples and industry methods, and discussions of security and regulatory issues. Inherently Safer Chemical Processes presents a holistic approach to making the development, manufacture, and use of chemicals safer. The main goal of this book is to help guide the future state of chemical process evolution by illustrating and emphasizing the merits of integrating inherently safer design process-related research, development, and design into a comprehensive process that balances safety, capital, and environmental concerns throughout the life cycle of the process. It discusses strategies of how to: substitute more benign chemicals at the development stage, minimize risk in the transportation of chemicals, use safer processing methods at the manufacturing stage, and decommission a manufacturing plant so that what is left behind does not endanger the public or environment.Table of ContentsPreface vii Acknowledgements ix Figures xxiii Tables xxvi 1. Introduction 1 1.1 Objectives, Intended Audience, and Scope of this Book 1 1.1.1 Objectives 1 1.1.2 Intended Audience 2 1.1.3 Scope 2 1.2 Integration of this Guidance with Other CCPS Guidance 2 1.3 Organization of this Book 3 1.4 History of Inherent Safety 4 1.5 References 9 2. The Concept of Inherent Safety 12 2.1 Inherent Safety and Process Risk Management 12 2.2 Inherent Safety Defined 15 2.3 Shared characteristics 16 2.4 Inherently Safer Strategies 18 2.5 Inherent safety throughout the process Life cycle 22 2.6 Inherently Safer Approaches 24 2.6.1 Orders of Inherent Safety 27 2.7 Layers of Protection 30 2.8 Integrating Inherent Safety in Process Risk Management Systems 32 2.9 Summary 40 2.10 References 40 3. Minimize – An Inherently Safer Strategy 44 3.1 Minimize 44 3.2 Reactors 47 3.3 Continuous Stirred Tank Reactors 48 3.4 Tubular Reactors 49 3.5 Loop Reactors 49 3.6 Reactive Distillation 51 3.7 Storage of Hazardous Materials 54 3.8 Process Piping 57 3.9 Process Equipment 58 3.10 Limitation of Effects 60 3.11 References 61 4. Substitute – An Inherently Safer Strategy 64 4.1 Reaction Chemistry 64 4.2 Green Chemistry 72 4.3 Solvents 73 4.4 Refrigerants 75 4.5 Firefighting Agents 76 4.6 Heat Transfer Media 76 4.7 Informed Substitution 77 4.8 References 83 5. Moderate – An Inherently Safer Strategy 87 5.1 Dilution 87 5.2 Refrigeration 88 5.3 Less Energetic Process Conditions 91 5.4 Secondary Containment - Dikes and Containment Buildings 94 5.5 Segregation 98 5.6 References 100 6. Simplify – An Inherently Safer Strategy 103 6.1 Leaving Things Out 104 6.2 Eliminating Unnecessary Spares 105 6.3 Inherently Robust Process Equipment 107 6.4 Preventing Runaway Reactions 110 6.5 Simplifying Heat Transfer 113 6.6 Simplifying Liquid Transfer 114 6.7 Reactor Geometry 116 6.8 Optimizing Catalyst Selectivity 116 6.9 Separation of Process Steps 116 6.10 Limitation of Available Energy 119 6.11 Simplification of the Human-Machine Interface 120 6.11.1 Overview 120 6.11.2 Equipment Layout, Accessibility, and Operability 121 6.11.3 Maintainability 121 6.11.4 Error Prevention 123 6.11.5 Design of Equipment and Controls – Making Status Clear 123 6.12 Summary 124 6.13 References 124 7. Applying Inherent Safety Strategies to Protection Layers 126 7.1 Operating Procedures 128 7.2 Maintenance Procedures 129 7.3 Relocation 129 7.4 Containment 130 7.5 More Robust Process Equipment and Design 131 7.6 Simplified Process Equipment and Design 132 7.7 Distributed Control Systems 133 7.8 Summary 134 7.9 References 134 8. Life Cycle Stages 136 8.1 General Principles Across All Life cycle Stages 136 8.2 Concept 137 8.3 Research 139 8.3.1 Inherently Safer Synthesis 141 8.3.2 Types of Hazards Associated with Research 142 8.3.3 Hazards Identification Methods 148 8.4 Design Development 159 8.4.1 Unit Operations - General 160 8.4.2 Unit Operations - Specific 161 8.5 Detailed Engineering Design 169 8.5.1 Process Design Basis 170 8.5.2 Equipment 171 8.5.3 Process Controls 175 8.5.4 Utility & Supporting Systems 179 8.5.5 Batch Processes 180 8.5.6 Other Design Considerations 182 8.6 Procurement, Construction, and Commissioning 183 8.7 Operations & Maintenance 185 8.7.1 Preservation of Inherent Safety 185 8.7.2 Inherent Safety - Continuous Improvement 187 8.8 Change Management 191 8.9 Decommissioning 192 8.10 Transportation 195 8.10.1 Location Relative to Raw Materials 197 8.10.2 Shipping Conditions 198 8.10.3 Transportation Mode and Route Selection 199 8.10.4 Improved Transportation Containers 200 8.10.5 Administrative Controls 201 8.10.6 Management of Transportation Containers On-site 202 8.11 References 203 9. Inherent Safety and Security 212 9.1 Introduction 212 9.2 Chemical Security Risk 213 9.3 Security Strategies 217 9.4 Countermeasures 219 9.5 Assessing Security Vulnerabilities 220 9.6 Inherent Safety and Chemical Security 221 9.7 Limitations to Implementing IS Concepts in Security Management 226 9.8 Conclusion 228 9.9 References 229 10. Implementing Inherently Safer Design 230 10.1 Introduction 230 10.2 Management System Approach for IS 231 10.3 Education and awareness 232 10.3.1 Making IS a Corporate Philosophy 232 10.3.2 IS in Education 233 10.4 Organizational culture 234 10.4.1 Multiple Demands of IS in the PSM program 235 10.4.2 Incorporating IS into Normal Design Process 236 10.5 Inherent Safety Reviews 241 10.5.1 Inherent Safety Review Objectives 242 10.5.2 Good Preparation is Required for Effective Inherent Safety Reviews 243 10.5.3 Inherent Safety Review Timing 244 10.5.4 Inherent Safety Review Team Composition 246 10.5.5 Inherent Safety Review Process Overview 246 10.5.6 Focus of Inherent Safety Reviews at Different Stages 250 10.5.7 Stage in the Process Life Cycle 252 10.6 Reactive Chemicals Screening 256 10.7 Inherent Safety Review Training 258 10.8 Documentation of the Inherently Safer Design Features of a Process 260 10.8.1 IS Review Documentation 261 10.8.2 Time Required for an Inherent Safety Review 263 10.9 Summary 264 10.10 References 265 11. Inherent Safety & the Elements of a RBPS Program 268 11.1 Process Safety Culture 270 11.2 Compliance with Standards 271 11.3 Workforce Involvement 272 11.4 Process Knowledge Management 272 11.5 Hazard Identification and Risk Analysis 273 11.6 Safe Work Practices 280 11.7 Asset Integrity and Reliability 282 11.8 Contractor Management 284 11.9 Training and Performance Assurance / Process Safety Competency 285 11.10 Management of Change / Operational Readiness 286 11.11 Conduct of Operations / Operating Procedures 290 11.11.1 Minimization 291 11.11.2 Simplification 294 11.12 Emergency Management 296 11.13 Incident Investigation 297 11.14 Measurements and Metrics / Auditing / Management Review and Continuous Improvement 297 11.15 Summary 299 11.16 References 299 12. Tools for IS Implementation 302 12.1 IS Review Methods - Overview 302 12.1.1 Three Approaches 302 12.1.2 Formal IS Reviews 303 12.1.3 IS Review Methods 304 12.1.4 Research & Development Application 304 12.1.5 PHA - Incorporation into HAZOP or other PHA Techniques 305 12.1.6 “What-If?” Method 307 12.1.7 Checklist Method 308 12.1.8 Consequence-Based Methods 311 12.1.9 Other Methods 312 12.2 Summary 317 12.3 References 318 13. Inherently Safer Design Conflicts 320 13.1 Introduction 320 13.2 Examples of inherent safety conflicts 324 13.2.1 Continuous vs. batch reactor 324 13.2.2 Reduced toxicity vs. reactive hazard 327 13.2.3 Reduced inventory vs. dynamic stability 328 13.2.4 Risk transfer vs. risk reduction 329 13.2.5 Inherent safety and security conflicts 331 13.3 Inherent safety – Environmental Hazards 332 13.3.1 PCBs 332 13.3.2 CFCs 332 13.4 Inherent Safety and Health Conflicts 333 13.4.1 Water Disinfection 333 13.5 Inherent safety and economic conflicts 334 13.5.1 Existing plants – operational vs. re-investment economics in a capital-intensive industry 334 13.5.2 Often more economical, but not necessarily 336 13.6 Tools for understanding and resolving conflicts 337 13.6.1 Tools for understanding and resolving conflicts 339 13.7 Measuring inherent safety characteristics 343 13.7.1 Dow Fire and Explosion Index 344 13.7.2 Dow Chemical Exposure Index 344 13.7.3 Mond Index 344 13.7.4 Proposed Inherent Safety indices 345 13.8 Summary 346 13.9 References 347 14. Inherent Safety Regulatory Initiatives 350 14.1 Inherent Safety Regulatory Developments and Issues 350 14.2 Experience with Inherent Safety Provisions in United States Regulations 351 14.2.1 Inherently Safer Regulatory Requirements – Contra Costa County, California, USA 352 14.2.2 New Jersey Toxic Catastrophe Prevention Act (TCPA) and Prescriptive Order for Chemical Plant Security 370 14.2.3 Inherently Safer Systems Requirements – California Accidental Release Prevention (CalARP) Regulations 378 14.2.4 Safer Technology & Alternatives Analysis – Revised US EPA Risk Management Program (RMP) Rule 380 14.3 Issues in Regulating Inherent Safety 382 14.3.1 Consistent Understanding of Inherent Safety 383 14.3.2 Needed Tools 384 14.4 Summary 385 14.5 References 386 15. Worked Examples and Case Studies 388 15.1 Introduction 388 15.2 Application of an Inherent Safety Strategic Approach to a Process 388 15.3 Case studies from carrithers 394 15.3.1 An Exothermic Batch Reaction 395 15.3.2 Refrigeration of Monomethylamine 398 15.3.3 Elimination of a Chlorine Water Treatment System 399 15.3.4 Reduction of Chlorine Transfer Line Size 400 15.3.5 Substitution of Aqueous Ammonia for Anhydrous Ammonia 400 15.3.6 Limitation of Magnitude of Deviations for Aqueous Ammonia 403 15.3.7 A Vessel Entry Example 408 15.4 Process Route Selection – Early R&D Example 411 15.5 Example of an Inherently Safer Study of a Steam Production Facility 412 15.5.1 Facility Description 412 15.5.2 Initial Design Proposal (Liquid Anhydrous Ammonia) 412 15.5.3 Aqueous Ammonia Design Proposal 413 15.5.4 Final Round of Option Selection 415 15.5.5 Consequence Analysis 416 15.5.6 Conclusion and Action 417 15.5.7 Conclusion 419 15.6 Case Study: Bhopal 419 15.6.1 Minimization 420 15.6.2 Substitution 420 15.6.3 Moderation 420 15.6.4 Simplification 421 15.7 Example: Inherently Safer Process for Production of Trialkyl Phosphate Esters 421 15.8 Summaries in brief: Examples by IS Strategy 422 15.8.1 Minimize 423 15.8.2 Substitute 425 15.8.3 Moderate 427 15.8.4 Simplify 429 15.9 Additional literature giving examples of inherently Safer Operations 430 15.10 References 431 16. Future Initiatives 433 16.1 Incorporating Inherently Safer Design into Process Safety Management 433 16.2 Encouraging Invention within the Chemical and Chemical Engineering Community 434 16.3 Including Inherent Safety into the Education of Chemists and Chemical Engineers 434 16.4 Developing Inherently Safer Design Databases and Libraries 434 16.5 Developing Tools to Apply Inherently Safer Design 435 16.5.1 The Broad View and Life Cycle Cost of Alternatives 435 16.5.2 Benefits of Reliability Analysis 436 16.5.3 Potential Energy 436 16.5.4 A Table of Distances and Consequence/Risk-Based Siting 437 16.5.5 Quantitative Measures of Inherent Safety 437 16.5.6 Other Suggestions 438 16.6 References 439 Appendix A. Inherently Safer Technology (IST) Checklist 442 A.1 IST Checklist Procedure 442 A.2 IST Checklist Questions 444 Appendix B. Inherent Safety Analysis Approaches 455 B.1 Inherent Safety Analysis – Guided Checklist Process Hazard Analysis (PHA) 459 B.2 Inherent Safety Analysis - Independent Process Hazard Analysis (PHA) 464 B.3 Inherent Safety Analysis – Integral to Process Hazard Analysis (PHA) 467 Glossary 469 Index 497

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Book SynopsisDevelop an understanding of FDA and global regulatory agency requirements for Laboratory Control System (LCS) operations In Laboratory Control System Operations in a GMP Environment, readers are given the guidance they need to implement a CGMP compliant Laboratory Control System (LCS) that fits within Global Regulatory guidelines. Using the Quality Systems Approach, regulatory agencies like the FDA and the European Medicine Agency have developed a scheme of systems for auditing pharmaceutical manufacturing facilities which includes evaluating the LCS. In this guide, readers learn the fundamental rules for operating a CGMP compliant Laboratory Control System. Designed to help leaders meet regulatory standards and operate more efficiently, the text includes chapters that cover Laboratory Equipment Qualification and Calibration, Laboratory Facilities, Method Validation and Method Transfer, Laboratory Computer Systems, Laboratory Investigations as well as Data Governance and Data IntegrTable of ContentsPreface xi About the Companion Website xvii 1 Introduction to the Quality Systems Based Approach to CGMP Compliance 1 Overview of Quality Systems and the Laboratory Control System 1 Regulations and Regulatory Bodies 4 Regulatory Guidance 4 Application of This Text 5 Overlap and Redundancy 6 Tools and Templates 6 References 7 2 Components of the Laboratory Managerial and Administrative Systems Sub Element (MS) 9 Description of the Laboratory Managerial and Administrative Systems Sub Element 9 Contents of the Sub Element 10 Tools and Templates 23 Reference 23 3 Components of the Laboratory Documentation Practices and Standard Operating Procedures Sub Element (OP) 25 Description of the Laboratory Documentation Practices and Standard Operating Procedures Sub Element 25 Contents of the Sub Element 26 Tools and Templates 44 4 Components of the Laboratory Equipment Sub Element (LE) 45 Description of the Laboratory Equipment Sub Element 45 Contents of the Sub Element 46 Tools and Templates 68 References 68 5 Components of the Laboratory Facilities Sub Element (LF) 71 Description of the Laboratory Facilities Sub Element 71 Contents of the Sub Element 71 Tools and Templates 81 References 81 6 Components of the Method Validation and Method Transfer Sub Element (MV) 83 Description of the Method Validation and Method Transfer Sub Element 83 Contents of the Sub Element 84 Tools and Templates 93 Glossary 93 References 113 7 Components of the Laboratory Computer Systems Sub Element (LC) 115 Description of the Laboratory Computer Systems Sub Element 115 Contents of the Sub Element 116 Tools and Templates 129 Glossary 130 References 133 8 Components of the Laboratory Investigations Sub Element (LI) 135 Background and Regulatory History of Out-of-Specification Investigations 135 Description of the Laboratory Investigations Sub Element 135 Contents of the Sub Element 139 Common Problems Related to Laboratory OOS Investigations 148 Tools and Templates 149 Glossary 150 References 155 9 Components of the Laboratory Data Governance and Data Integrity Sub Element (DI) 157 Background 157 Precepts Regarding Data Governance and Data Integrity 159 Description of the Laboratory Data Governance and Data Integrity Sub Element 162 Contents of the Sub Element 164 Policy for Data Governance 164 Procedural Controls 165 Technical Controls 166 Data Maps and Data Walks 166 Risk Identification, Ranking, and Filtering 171 Data Reviews 196 Data and Operational Audits 196 Employee Awareness and Training 208 Management Oversight 210 Tools and Templates 212 Glossary 212 References 214 Further Reading 215 10 Components of the Stability Program Sub Element (SB) 217 Description of the Stability Program Sub Element 217 Contents of the Sub Element 218 Model Standard Operating Procedures for Establishing and Maintaining a Stability Program 218 Stability Chambers 246 Tools and Templates 261 Glossary 262 References 268 11 Components of the General Laboratory Compliance Practices Sub Element (CP) 269 Description of the General Laboratory Compliance Practices Sub Element 269 Contents of the Sub Element 270 Tools and Templates 284 12 Summary for Establishing and Maintaining a Laboratory Control System 285 A Brief Review of the Laboratory Control System and Its Sub Elements 285 How Things Can Go Wrong: Examples of Some Regulatory Citations Organized by Sub Element 285 Some Final Thoughts on Establishing and Maintaining a Compliance Laboratory Control System 296 Index 297

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Book SynopsisA comprehensive volume on photocatalytic functional materials for environmental remediation As the need for removing large amounts of pollution and contamination in air, soil, and water grows, emerging technologies in the field of environmental remediation are of increasing importance. The use of photocatalysisa green technology with enormous potential to resolve the issues related to environmental pollutionbreaks down toxic organic compounds to mineralized products such as carbon dioxide and water. Due to their high performance, ease of fabrication, long-term stability, and low manufacturing costs, photofunctional materials constructed from nanocomposite materials hold great potential for environmental remediation. Photocatalytic Functional Materials for Environmental Remediationexamines the development of high performance photofunctional materials for the treatment of environmental pollutants. This timely volume assembles and reviews a broad range of ideas from leading experts Table of ContentsList of Contributors xi Preface xv 1 Titanium Dioxide and Carbon Nanomaterials for the Photocatalytic Degradation of Organic Dyes 1Nagamalai Vasimalai Abbreviations 1 1.1 Introduction 2 1.1.1 Impact of Dye Effluents on the Environment and Health 3 1.2 Principles and Mechanism of Photocatalysis 6 1.2.1 Direct Photocatalytic Pathways 7 1.2.1.1 The Langmuir–Hinshel Wood Process 8 1.2.1.2 The Eley–Rideal Process 8 1.2.2 Indirect Photocatalytic Mechanisms 8 1.3 Importance of Titanium Dioxide 9 1.3.1 Rutile 10 1.3.2 Anatase 10 1.3.3 Brookite 10 1.4 Titanium Dioxide for the Photocatalytic Degradation of Organic Dyes 11 1.4.1 Approaches Enhance the Photocatalytic Activity of TiO2 12 1.4.2 Metal and Multi‐Atom Doped TiO2 13 1.5 Carbon Nanomaterials for the Photocatalytic Degradation of Organic Dyes 15 1.5.1 Activated Carbon 16 1.5.2 Graphite 17 1.5.3 Graphene 19 1.5.4 Carbon Nanotubes and Fullerenes 20 1.5.5 Carbon Black 21 1.5.6 Carbon Nanofibers 22 1.5.7 Carbon Quantum Dots 22 1.5.8 Mesoporous Carbon 24 1.6 Conclusion and Trends 26 References 27 2 Visible Light Photocatalytic Degradation of Environmental Pollutants Using Metal Oxide Semiconductors 41 S. Thangaraj Nishanthi 2.1 Introduction 41 2.2 Photocatalysis 42 2.3 Mechanism and Fundamentals of Photocatalytic Reactions 42 2.4 Synthesis of Different Photocatalysts 44 2.4.1 Hydrothermal/Solvothermal Methods 45 2.4.2 Electrodeposition 46 2.4.3 Chemical Bath Deposition 46 2.4.4 Sol‐Gel Process 47 2.4.5 Chemical Precipitation 47 2.5 Factors Affecting Photocatalytic Degradation 47 2.5.1 Catalyst Loading 47 2.5.2 pH of the Solution 48 2.5.3 Size and Structure of the Photocatalyst 49 2.5.4 Reaction Temperature 49 2.5.5 Concentration and Nature of Pollutants 49 2.5.6 Inorganic Ions 50 2.6 Metal Oxide Semiconductors 50 2.7 Ternary/Quaternary Oxides 54 2.8 Composites Semiconductors 55 2.9 Sensitization 56 2.10 Conclusions 57 References 57 3 Contemporary Achievements of Visible Light‐Driven Nanocatalysts for the Environmental Applications 69 Panneerselvam Sathishkumar, Nalenthiran Pugazhenthiran, Ramalinga V. Mangalaraja, Kiros Guesh, David Contreras, and Sambandam Anandan 3.1 Introduction 69 3.1.1 Langmuir–Hinshelwood Approach 71 3.1.2 The Eley–Rideal Approach 71 3.1.3 Indirect Photocatalytic Approach 72 3.2 Types of Photocatalytic Reactor Models 73 3.3 Modification of Semiconductor Nanoparticles 90 3.3.1 Metal Nanoparticles 90 3.3.2 Non‐Metal Deposition 91 3.4 Emerging Photocatalysts 95 3.4.1 Perovskite Photocatalysts 95 3.4.2 C3N4‐Supported Photocatalysts 96 3.5 Mechanisms of Photocatalysis 99 3.6 Conclusion 116 References 121 4 Application of Nanocomposites for Photocatalytic Removal of Dye Contaminants 131 Sivaraman Somasundaram, Pitchaimani Veerakumar, King‐Chuen Lin, and Vignesh Kumaravel 4.1 Nanocomposites and Applications 131 4.2 Dyes: Introduction, Classification, and Impacts on the Environment 131 4.3 Strategies of Dye Contaminant Removal 133 4.4 Photodegradation and the Removal of Dyes Using Nanocomposites 134 4.4.1 Zeolite‐Based Nanocomposites 153 4.4.2 Clay‐Supported Nanocomposites 153 4.4.3 Polymer‐Based Nanocomposites 154 4.5 Photocatalytic Reactors for Dye Degradation 156 4.6 Summary 156 References 157 5 Photocatalytic Active Silver Phosphate for Photoremediation of Organic Pollutants 163 Sachin V. Otari and Hemraj M. Yadav 5.1 Introduction 163 5.2 Properties of Ag3PO4 165 5.2.1 Structural Features 165 5.2.2 Antimicrobial Properties 166 5.3 Photoremediation of Organic Pollutants 167 5.3.1 Effect of Morphology 168 5.3.1.1 Size and Structure of the Photocatalyst 168 5.3.1.2 Facet‐Dependent Photocatalysts 171 5.3.2 Effect of Composition 172 5.3.2.1 Carbon Materials 173 5.3.2.2 Semiconductor Materials 176 5.3.2.3 Magnetic Particles 179 5.3.2.4 Metal Particles 179 5.3.3 Doping Effect 182 5.4 Conclusions and Future Prospects 182 Acknowledgements 183 References 183 6 Plasmonic Ag‐ZnO: Charge Carrier Mechanisms and Photocatalytic Applications 191 Raghavachari Kavitha, Shivashankar Girish Kumar, and Channe Gowda Sushma 6.1 ZnO‐Based Photocatalysis 191 6.2 Why Deposit Silver on ZnO Surface? 192 6.3 Methods to Decorate Silver NPs on the Surface of ZnO 193 6.4 Mechanism of Charge Carrier Transfer Dynamics in Ag‐ZnO 197 6.4.1 Schottky Barrier and Charge Transfer Process 198 6.4.2 Surface Plasmon Resonance Effects 198 6.4.3 Defect Chemistry of Ag‐ZnO 199 6.5 Influence of Silver Content on Optimizing the Photocatalytic Activity 200 6.6 Structure–Morphology Relationship on Photocatalytic Activity 201 6.7 Co‐modification of Ag‐ZnO for Photocatalysis 204 6.8 Conclusion and Future Prospects 207 References 208 7 Multifunctional Hybrid Materials Based on Layered Double Hydroxide towards Photocatalysis 215 Lagnamayee Mohapatra and Dhananjaya Patra 7.1 Introduction 215 7.2 Hybrid LDHs from LDH Precursors 216 7.3 Photocatalytic Applications of Different LDH‐Based Hybrid Materials 217 7.3.1 LDH‐Based Mixed Metal Oxides (MMO) 221 7.3.2 Hybrid MMOs for Dye Degradation 225 7.3.3 LDH Nanocomposites 227 7.3.4 Intercalated LDH 231 7.4 Conclusions 233 References 234 8 Magnetically Separable Iron Oxide‐Based Nanocomposite Photocatalytic Materials for Environmental Remediation 243 Sakthivel Thangavel, Nivea Raghavan, and Gunasekaran Venugopal 8.1 Introduction 243 8.2 Synthesis Techniques for Magnetic Nanophotocatalyst Composites 246 8.3 Three Types of Semiconductor Magnetic‐Based Nanocomposites 249 8.4 Graphene‐Based Magnetically Separable Composites 251 8.4.1 Metal Di‐Chalcogenides‐Magnetic Nanocomposite Photocatalysts 252 8.4.2 Graphitic Carbon Nitride‐Based Magnetic Photocatalysts 254 8.5 The Effect of Iron Oxide‐Based Photocatalysts on Pollutants 255 8.5.1 Organic Dye Pollutant Degradation 255 8.5.2 Non‐Dye or Colorless Compounds 256 8.5.3 Heavy Metals 258 8.5.4 Pharmaceutical Waste 259 8.6 Summary 260 References 260 9 Photo Functional Materials for Environmental Remediation 267 Pazhanivel Devendran and Meenakshisundaram Swaminathan 9.1 Introduction 267 9.2 Photoelectric Effect 267 9.3 Photo Functional Materials (Photocatalysts) 268 9.4 Photodegradation of Textile Dyes 271 9.5 Semiconductor‐Based Photocatalysts 272 9.6 Carbon Nanotubes (CNTs) 274 9.7 Photo Functional Semiconductors on CNT Hybrid Materials for Tunable Optoelectronic Devices 275 9.8 Fabrication of CdS Quantum Dot Sensitized Solar Cells Using Nitrogen‐Functionalized CNTs/TiO2 Nanocomposites 276 9.9 Graphene Sheet 280 9.10 CdS/G Nanocomposites for Efficient Visible Light Driven Photocatalysis 281 9.11 Graphitic Carbon Nitride (g‐C3N4) 283 9.12 Conclusions 284 References 285 10 Graphitic Carbon Nitride‐Based Nanostructured Materials for Photocatalytic Applications 291 Jayaraman Theerthagiri, Kumaraguru Duraimurugan, Hyun‐Seok Kim, and Jagannathan Madhavan 10.1 Introduction 291 10.2 General Mechanism: Reaction Pathway 292 10.3 g‐C3N4 and Composites in Photocatalytic Degradation 294 10.4 Conclusions and Future Directions 304 Acknowledgements 305 References 305 11 Metal–Organic Frameworks for Photocatalytic Environmental Remediation 309 Mohan Sakar and Trong‐On Do 11.1 Introduction 309 11.2 Structural Features of MOFs 310 11.3 Synthesis of MOFs 312 11.3.1 Evaporation Method 313 11.3.2 Vapor Diffusion Method 313 11.3.3 Gel Crystallization Process 313 11.3.4 Solvothermal Synthesis 313 11.3.5 Microwave‐Assisted Synthesis 314 11.3.6 Sonochemical Methods 314 11.3.7 Electrochemical Synthesis 314 11.3.8 Mechanochemical Synthesis 315 11.4 Photocatalytic MOFs by Design 315 11.5 Photocatalytic Applications of MOFs 317 11.5.1 Degradation of Organic Pollutants 317 11.5.2 CO2 Reduction 320 11.5.3 Heavy Metal Reduction 323 11.5.4 Others 326 11.6 Conclusions and Future Prospects 327 Acknowledgements 329 References 329 12 Active Materials for Photocatalytic Reduction of Carbon Dioxide 343 Balasubramanian Viswanathan 12.1 Introduction 343 12.2 CO2 Photoreduction – Essentials 345 12.3 Heterogeneous Photocatalytic Reduction of Carbon Dioxide with Water 348 12.4 Nanomaterials and New Combinations of Materials for Carbon Dioxide Reduction 350 12.5 Selection of Materials 355 12.6 Material Modifications for Improving Efficiency 359 12.7 Perspectives in the Photocatalytic Reduction of Carbon Dioxide 363 Acknowledgements 367 References 367 Index 373

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Book SynopsisOrganic Reaction Mechanisms 2018, the 54th annual volume in this highly successful and unique series, surveys research on organic reaction mechanisms described in the available literature dated 2018. The following classes of organic reaction mechanisms are comprehensively reviewed: Reaction of Aldehydes and Ketones and their Derivatives Reactions of Carboxylic, Phosphoric, and Sulfonic Acids and their Derivatives Oxidation and Reduction Carbenes and Nitrenes Nucleophilic Aromatic Substitution Electrophilic Aromatic Substitution Carbocations Nucleophilic Aliphatic Substitution Carbanions and Electrophilic Aliphatic Substitution Elimination Reactions Polar Addition Reactions Cycloaddition Reactions Molecular Rearrangements Transition Metal Coupling Radical Reactions An experienced team of authors compile these reviews every yeaTable of Contents1 Reactions of Aldehydes and Ketones and their Derivatives by B.A. Murray 2 Reactions of Carboxylic, Phosphoric and Sulfonic Acids and their Derivatives by C.T. Bedford 3 Oxidation and Reduction by K.K. Banerji 4. Carbenes and Nitrenes by E. Gras and S. Chassaing 5a Nucleophilic Aromatic Substitution by M.R. Crampton 5b Electrophilic Aromatic Substitution by G. Weaver 6 Carbocations by V. M. Moreira 7. Nucleophilic Aliphatic Substitution 2018 by J.G. Moloney and M.G. Moloney 8. Carbanions and Electrophilic Aliphatic Substitution by L. Birsa 9. Elimination Reactions by L. Birsa 10. Addition Reactions: Polar Addition by P. Kocovsky 11. Addition Reactions: Cycloaddition by N. Dennis 12. Molecular Rearrangements by J. M. Coxon 13. Transition-Metal Catalyzed Reactions J. Carlos Gonzalez-Gomez and F. Alonso 14. Radical Reactions A.F. Parsons and T.F. Parsons Author Index Subject Index

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Book SynopsisThe book Modeling in Membranes and Membrane-Based Processes is based on the idea of developing a reference which will cover most relevant and state-of-the-art approaches in membrane modeling. This book explores almost every major aspect of modeling and the techniques applied in membrane separation studies and applications. This includes first principle-based models, thermodynamics models, computational fluid dynamics simulations, molecular dynamics simulations, and artificial intelligence-based modeling for membrane separation processes. These models have been discussed in light of various applications ranging from desalination to gas separation. In addition, this breakthrough new volume covers the fundamentals of polymer membrane pore formation mechanisms, covering not only a wide range of modeling techniques, but also has various facets of membrane-based applications. Thus, this book can be an excellent source for a holistic perspective on membranes in general, as well as aTable of ContentsAcknowledgement xiii 1 Introduction: Modeling and Simulation for Membrane Processes 1Anirban Roy, Aditi Mullick, Anupam Mukherjee and Siddhartha Moulik References 6 2 Thermodynamics of Casting Solution in Membrane Synthesis 9Shubham Lanjewar, Anupam Mukherjee, Lubna Rehman, Amira Abdelrasoul and Anirban Roy 2.1 Introduction 10 2.2 Liquid Mixture Theories 11 2.2.1 Theories of Lattices 11 2.2.1.1 The Flory-Huggins Theory 11 2.2.1.2 The Equation of State Theory 12 2.2.1.3 The Gas-Lattice Theory 13 2.2.2 Non-Lattice Theories 13 2.2.2.1 The Strong Interaction Model 13 2.2.2.2 The Heat of Mixing Approach 13 2.2.2.3 The Solubility Parameter Approach 14 2.2.3 The Flory–Huggins Model 15 2.3 Solubility Parameter and Its Application 18 2.3.1 Scatchard-Hildebrand Theory 18 2.3.1.1 The Regular Solution Model 18 2.3.1.2 Application of Hildebrand Equation to Regular Solutions 19 2.3.2 Solubility Scales 20 2.3.3 Role of Molecular Interactions 21 2.3.3.1 Types of Intermolecular Forces 21 2.3.4 Intermolecular Forces: Effect on Solubility 23 2.3.5 Interrelation Between Heat of Vaporization and Solubility Parameter 24 2.3.6 Measuring Units of Solubility Parameter 25 2.4 Dilute Solution Viscometry 26 2.4.1 Types of Viscosities 27 2.4.2 Viscosity Determination and Analysis 28 2.5 Ternary Composition Triangle 32 2.5.1 Typical Ternary Phase Diagram 33 2.5.2 Binodal Line 34 2.5.2.1 Non-Solvent/Solvent Interaction 36 2.5.2.2 Non-Solvent/Polymer Interaction 36 2.5.2.3 Solvent/Polymer Interaction 36 2.5.3 Spinodal Line 36 2.5.4 Critical Point 37 2.5.5 Thermodynamic Boundaries and Phase Diagram 38 2.6 Conclusion 40 2.7 Acknowledgment 40 List of Abbreviations and Symbols 40 Greek Symbols 42 References 42 3 Computational Fluid Dynamics (CFD) Modeling in Membrane-Based Desalination Technologies 47Pelin Yazgan-Birgi, Mohamed I. Hassan Ali and Hassan A. Arafat 3.1 Desalination Technologies and Modeling Tools 48 3.1.1 Desalination Technologies 48 3.1.2 Tools in Desalination Processes Modeling 49 3.1.3 CFD Modeling Tool in Desalination Processes 55 3.2 General Principles of CFD Modeling in Desalination Processes 56 3.2.1 Reverse Osmosis (RO) Technology 61 3.2.2 Forward Osmosis (FO) Technology 65 3.2.3 Membrane Distillation (MD) Technology 68 3.2.4 Electrodialysis and Electrodialysis Reversal (ED/EDR) Technologies 73 3.3 Application of CFD Modeling in Desalination 77 3.3.1 Applications in Reverse Osmosis (RO) Technology 77 3.3.2 Applications in Forward Osmosis (FO) Technology 95 3.3.3 Applications in Membrane Distillation (MD) Technology 108 3.3.4 Applications in Electrodialysis and Electrodialysis Reversal (ED/EDR) Technologies 121 3.4 Commercial Software Used in Desalination Process Modeling 122 Conclusion 132 References 133 4 Role of Thermodynamics and Membrane Separations in Water-Energy Nexus 145Anupam Mukherjee, Shubham Lanjewar, Ridhish Kumar, Arijit Chakraborty, Amira Abdelrasoul and Anirban Roy 4.1 Introduction: 1st and 2nd Laws of Thermodynamics 146 4.2 Thermodynamic Properties 148 4.2.1 Measured Properties 148 4.2.2 Fundamental Properties 149 4.2.3 Derived Properties 149 4.2.4 Gibbs Energy 149 4.2.5 1st and 2nd Law for Open Systems 152 4.3 Minimum Energy of Separation Calculation: A Thermodynamic Approach 153 4.3.1 Non-Idealities in Electrolyte Solutions 154 4.3.2 Solution Thermodynamics 154 4.3.2.1 Solvent 155 4.3.2.2 Solute 155 4.3.2.3 Electrolyte 156 4.3.3 Models for Evaluating Properties 157 4.3.3.1 Evaluation of Activity Coefficients Using Electrolyte Models 157 4.3.4 Generalized Least Work of Separation 159 4.3.4.1 Derivation 160 4.4 Desalination and Related Energetics 164 4.4.1 Evaporation Techniques 166 4.4.2 Membrane-Based New Technologies 167 4.5 Forward Osmosis for Water Treatment: Thermodynamic Modelling 173 4.5.1 Osmotic Processes 173 4.5.1.1 Osmosis 174 4.5.1.2 Draw Solutions 175 4.5.2 Concentration Polarization in Osmotic Process 177 4.5.2.1 External Concentration Polarization 177 4.5.2.2 Internal Concentration Polarization 178 4.5.3 Forward Osmosis Membranes 180 4.5.4 Modern Applications of Forward Osmosis 180 4.5.4.1 Wastewater Treatment and Water Purification 181 4.5.4.2 Concentrating Dilute Industrial Wastewater 181 4.5.4.3 Concentration of Landfill Leachate 181 4.5.4.4 Concentrating Sludge Liquids 182 4.5.4.5 Hydration Bags 182 4.5.4.6 Water Reuse in Space Missions 182 4.6 Pressure Retarded Osmosis for Power Generation: A Thermodynamic Analysis 183 4.6.1 What is Pressure Retarded Osmosis? 183 4.6.2 Pressure Retarded Osmosis for Power Generation 184 4.6.3 Mixing Thermodynamics 186 4.6.3.1 Gibbs Energy of Solutions 186 4.6.3.2 Gibbs Free Energy of Mixing 187 4.6.4 Thermodynamics of Pressure Retarded Osmosis 188 4.6.5 Role of Membranes in Pressure Retarded Osmosis 190 4.6.6 Future Prospects of Pressure Retarded Osmosis 191 4.7 Conclusion 192 4.8 Acknowledgment 192 Nomenclature 192 1. Roman Symbols 192 2. Greek Symbols 193 3. Subscripts 194 4. Superscripts 194 5. Acronyms 194 References 195 5 Modeling and Simulation for Membrane Gas Separation Processes 201Samaneh Bandehali, Hamidreza Sanaeepur, Abtin Ebadi Amooghin and Abdolreza Moghadassi Abbreviations 201 Nomenclatures 202 Subscripts 203 5.1 Introduction 203 5.2 Industrial Applications of Membrane Gas Separation 205 5.2.1 Air Separation or Production of Oxygen and Nitrogen 205 5.2.2 Hydrogen Recovery 206 5.2.3 Carbon Dioxide Removal from Natural Gas and Syn Gas Purification 210 5.3 Modeling in Membrane Gas Separation Processes 210 5.3.1 Mathematical Modeling for Membrane Separation of a Gas Mixture 210 5.3.2 Modeling in Acid Gas Separation 218 5.4 Process Simulation 221 5.4.1 Gas Treatment Modeling in Aspen HYSYS 222 5.5 Modeling of Gas Separation by Hollow-Fiber Membranes 225 5.6 CFD Simulation 227 5.6.1 Hollow Fiber Membrane Contactors (HFMCs) 227 5.7 Conclusions 228 References 229 6 Gas Transport through Mixed Matrix Membranes (MMMs): Fundamentals and Modeling 237Rizwan Nasir, Hafiz Abdul Mannan, Danial Qadir, Hilmi Mukhtar, Dzeti Farhah Mohshim and Aymn Abdulrahman 6.1 History of Membrane Technology 237 6.2 Separation Mechanisms for Gases through Membranes 238 6.3 Overview of Mixed Matrix Membranes 242 6.3.1 Material and Synthesis of Mixed Matrix Membrane 242 6.3.2 Performance Analysis of Mixed Matrix Membranes 242 6.4 MMMs Performance Prediction Models 243 6.4.1 New Approaches for Performance Prediction of MMMs 246 6.5 Future Trends and Conclusions 246 6.6 Acknowledgment 253 References 253 7 Application of Molecular Dynamics Simulation to Study the Transport Properties of Carbon Nanotubes-Based Membranes 257Maryam Ahmadzadeh Tofighy and Toraj Mohammadi 7.1 Introduction 258 7.2 Carbon Nanotubes (CNTs) 259 7.3 CNTs Membranes 263 7.4 MD Simulations of CNTs and CNTs Membranes 265 7.5 Conclusions 271 References 272 8 Modeling of Sorption Behaviour of Ethylene Glycol-Water Mixture Using Flory-Huggins Theory 277Haresh K Dave and Kaushik Nath 8.1 Introduction 278 8.2 Materials and Method 281 8.2.1 Chemicals 281 8.2.2 Preparation and Cross-Linking of Membrane 281 8.2.3 Determination of Membrane Density 281 8.2.4 Sorption of Pure Ethylene Glycol and Water in the Membrane 282 8.2.5 Sorption of Binary Solution in the Membrane 282 8.2.6 Model for Pure Solvent in PVA/PES Membrane Using F-H Equation 283 8.2.7 Model for Binary EG-Water Sorption Using F-H Equation 285 8.3 Results and Discussion 289 8.3.1 Sorption in the PVA-PES Membrane 289 8.3.2 Determination of F-H Parameters Between Water and Ethylene Glycol (Xw−EG) 290 8.3.3 Determination of F-H Parameters for Solvent and Membrane (χwm and χEGm) 292 8.3.4 Modeling of Sorption Behaviour Using F-H Parameters 293 8.4 Conclusions 296 Nomenclature 297 Greek Letters 298 Acknowledgement 298 References 298 9 Artificial Intelligence Model for Forecasting of Membrane Fouling in Wastewater Treatment by Membrane Technology 301Khac-Uan Do and Félix Schmitt 9.1 Introduction 302 9.1.1 Membrane Filtration in Wastewater Treatment 302 9.1.2 Membrane Fouling in Membrane Bioreactors and its Control 302 9.1.3 Models for Membrane Fouling Control 304 9.1.4 Objectives of the Study 305 9.2 Materials and Methods 305 9.2.1 AO-MBR System 305 9.2.2 The AI Modeling in this Study 305 9.2.3 Analysis Methods 307 9.3 Results and Discussion 308 9.3.1 Membrane Fouling Prediction Based on AI Model 308 9.3.2 Discussion on Using AI Model to Predict Membrane Fouling 316 9.4 Conclusion 320 Acknowledgements 321 References 321 10 Membrane Technology: Transport Models and Application in Desalination Process 327Lubna Muzamil Rehman, Anupam Mukherjee, Zhiping Lai and Anirban Roy 10.1 Introduction 328 10.2 Historical Background 331 10.3 Theoretical Background and Transport Models 335 10.3.1 Classical Solution Diffusion Model 336 10.3.2 Extended Solution-Diffusion Model 339 10.3.3 Modified Solution-Diffusion-Convection Model 341 10.3.4 Pore Flow Model (PFM) 342 10.3.5 Electrolyte Transport and Electrokinetic Models 344 10.3.6 Kedem–Katchalsky Model – An Irreversible Thermodynamics Model 346 10.3.7 Spiegler–Kedem Model 346 10.3.8 Mixed-Matrix Membrane Models 347 10.3.9 Thin Film Composite Membrane Transport Models 348 10.3.10 Membrane Distillation 349 10.4 Limitations of Current Membrane Technology 351 10.4.1 External Concentration Polarisation 351 10.4.2 Internal Concentration Polarisation 352 10.4.3 External Concentration Polarisation Due to Membrane Biofouling 354 10.5 Recent Advances of Membrane Technology in RO, FO, and PRO 355 10.5.1 Hybrids 358 10.5.2 Other Membrane Desalination Technologies 359 10.5.2.1 Membrane Distillation 359 10.5.2.2 Reverse Electrodialysis (RED) 360 10.6 Techno-Economical Analysis 360 10.7 Conclusion 362 List of Abbreviations and Symbols 363 Greek Symbols 365 Suffix 366 References 366 Index 375

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Book SynopsisThe world is literally awash with plastics and this book practically provides a broad overview of plastic recycling procedures and waste management. With the huge amount of plastics floating in the oceans, fish and other sea creatures are directly suffering the consequences. On land, city leaders and planners are banning one-use plastics as well as plastic bags from grocery stores in an effort to stem the use. Many countries have made official announcements and warnings concerning the pollution caused from plastic wastes. These urgent developments have stimulated the author to study the problem and write Polymer Waste Management. Plastic recycling refers to a method that retrieves the original plastic material. However, there are many sophisticated methods available for the treatment and management of waste plastics such as basic primary recycling, where the materials are sorted and collected individually. In chemical recycling, the monomers and related compounds are processed byTable of ContentsPreface xi 1 General Aspects 1 1.1 History of the Literature 2 1.2 Amount of Wastes 2 1.3 Metal Content in Wastes 4 1.3.1 Waste Poly(ethylene) and Pure High Density Poly(ethylene) 4 1.4 Analysis Procedures 4 1.4.1 Fluorescence Labeling 4 1.4.2 Time-Gated Fluorescence Spectroscopy 6 1.4.3 Content of Flame Retardants 6 1.4.4 Identification of Black Plastics 7 1.4.5 Raman Spectroscopy 9 1.4.6 Life Cycle Assessment 10 1.4.7 Analysis of Contaminated Mixed Waste Plastics 12 1.4.8 Construction and Household Plastic Waste 14 1.4.9 Models for Forecasting the Composition of Waste Materials 14 1.5 Standards 16 1.5.1 Circular Economy Package 16 1.5.2 SPI Codes 17 1.5.3 Test Samples for Biodegradation 19 1.5.4 Mixed Municipal Waste 21 1.5.5 Aerobic Composting 21 1.5.6 Contaminants in Recycled Plastics 22 1.6 Special Problems with Plastics 22 1.6.1 Stability of Plastics 22 1.6.2 Additives 23 1.6.3 Plastics in Food 24 1.6.4 Seawater 25 1.6.5 Landfill 37 1.6.6 Electronic Waste 38 References 40 2 Environmental Aspects 51 2.1 Pollution of the Marine Environment 51 2.1.1 Pathways of Plastics into the Marine Environment 54 2.1.2 Deleterious Effects on the Marine Environment 55 2.1.3 Reports Concerning Special Locations 55 2.1.4 Analysis Methods 56 2.1.5 Plastic Preproduction Pellets 59 2.1.6 Leaching of Plastics 60 2.1.7 Micro-plastics 60 2.1.8 Marine Animals 65 2.2 Pollution of the Terrestrial Environment 71 2.2.1 Waste Generation 71 2.2.2 Disposal in Landfills 71 2.2.3 Plastic Materials for Packaging 72 References 73 3 Recycling Methods 79 3.1 Alternative Plastic Materials 80 3.2 Mechanical Recycling 81 3.2.1 Poly(lactic acid) 81 3.2.2 Nanocellulose Coated Poly(ethylene) Films 84 3.2.3 Electric Uses 84 3.3 Primary Recycling 86 3.4 Renewable Polymer Synthesis 87 3.4.1 Natural Solvents for Expanded Poly(styrene) 94 3.4.2 Landfill Methane Recycling 97 3.4.3 Anaerobic Landfill 97 3.4.4 Simulated Semi-aerobic Landfill 99 3.5 Preparation and Regeneration of Catalysts 100 3.5.1 Reuse of ZSM-5 Zeolite 100 3.5.2 Modification of Zeolites 100 3.6 Pyrolysis Methods 101 3.6.1 Fluidized-Bed Reactor 104 3.7 Metallized Plastics Waste 105 3.7.1 Rotary Kiln Pyrolysis 106 3.8 Mixed Plastics 108 3.8.1 Grinding and Cleaning 108 3.8.2 Reductant in Ironmaking 109 3.9 Separation Processes 111 3.9.1 Automated Sorting of Waste 111 3.9.2 Sorting According to Density 112 3.9.3 Hydrocyclonic Separation of Waste Plastics 114 3.9.4 Froth Flotation 114 3.10 Triboelectrostatic Separation 126 3.11 Wet Gravity Separation 127 3.11.1 Selective Dissolution/Precipitation Technique for Polymer Recycling 128 3.12 Supercritical Water 129 3.13 Solvent Treatment 132 References 136 4 Recovery of Monomers 145 4.1 Process for Obtaining a Polymerizable Monomer 145 4.2 Pyrolysis in Carrier Gas 146 4.3 Fluidized Bed Method 147 4.4 Recovery of Monomers from Waste Gas Streams 147 4.5 Polyolefins 148 4.6 Poly(styrene) 149 4.6.1 Methods with Supercritical Materials 149 4.6.2 Volcanic Tuff and Florisil Catalysts 150 4.6.3 Base-Promoted Iron Catalysis 151 4.6.4 Composite Catalysts 151 4.6.5 Fluidized-Bed Reactor 152 4.6.6 Catalytic Acid and Basic Active Centers 153 4.7 Phenolic Resins 154 4.8 Poly(carbonate) 155 4.8.1 Poly(bisphenol A carbonate) 156 4.9 Poly(ethylene terephthalate) 157 4.9.1 Acrylic Monomers 157 4.9.2 Acrylic Aromatic Amide Oligomers 159 4.9.3 Terephthalic Acid 159 4.9.4 Terephthalic dihydrazide 160 4.9.5 Aminolytic Depolymerization 161 4.9.6 Hydrogenation Reaction 163 4.10 Nylon 163 4.10.1 Recovery of Caprolactam 163 4.10.2 Hexamethylene diamine 164 4.11 Poly(urethane) 165 4.12 Sequential Processes for Mixed Plastics 166 4.13 Waste Fiber Reinforced Plastics 167 4.13.1 Supercritical Methyl Alcohol 167 4.13.2 Ionic Liquid Treatment 168 4.13.3 N,N-Dimethylaminopyridine for Depolymerization 168 4.13.4 Subcritical Water 169 4.13.5 Fiber-Matrix Separation for Carbon Fiber Recycling 170 References 170 5 Recovery into Fuels 175 5.1 Poly(ethylene) 175 5.1.1 Aromatic Fuel Oils from Poly(ethylene) 175 5.2 Thermal and Catalytic Processes 176 5.2.1 Optimization of Temperature and Catalyst 177 5.3 Mixed Waste Plastics 180 5.3.1 Fuel-like Feedstocks 181 5.3.2 Production of Transportation Fuels 5.3.3 Co-pyrolysis of Waste Vegetable Oil 183 and Waste Poly(ethylene) Plastics 186 5.3.4 Refining Method for Recycling Waste Plastics 186 5.4 Hydrocarbon Fuels 189 5.4.1 Pyrolysis into Premium Oil Products 189 5.4.2 Gasoline, Kerosene, and Diesel 189 5.4.3 Two-Stage Pyrolysis Catalysis 193 5.4.4 Continuous Preparation 194 5.4.5 Continuous Cracking Technology 195 5.5 High-Value Hydrocarbon Products 196 5.6 Purified Crude Oil 198 5.7 Lubricating Oil 204 5.8 Waxes and Grease Base Stocks 206 5.9 Co-pyrolysis of Landfill Recovered Plastic Wastes and Used Lubrication Oils 208 5.10 PVC Wastes 209 5.11 Iron Oxide Catalyst 210 5.12 Landfill 210 5.12.1 Landfill Mining Project 210 5.12.2 Slow Pyrolysis 211 5.12.3 Pyrolysis Oils from Landfill Waste 212 References 214 6 Specific Materials 219 6.1 Catalysts for Recycling 219 6.2 Polyolefins 219 6.2.1 Thermal and Catalytic Conversion 220 6.2.2 Catalytic Cracking of Polyolefins 220 6.2.3 Fast Pyroylysis of PolyolefinWastes 225 6.2.4 Low Density Poly(ethylene) 225 6.2.5 High Density Poly(ethylene) 232 6.2.6 Poly(propylene) 259 6.3 Poly(styrene) 261 6.3.1 Influence of Temperature in Pyrolysis 262 6.3.2 Degradation of Poly(styrene) in the Presence of Hydrogen 262 6.3.3 Production of Enhanced Amounts of Aromatic Compounds 264 6.3.4 Poly(styrene) with Flame Retardants 267 6.4 Poly(carbonate) 268 6.4.1 Effect of Metal Chlorides 268 6.5 Poly(ethylene terephthalate) 271 6.5.1 Poly(ethylene terephthalate) Flakes 271 6.5.2 Chemical Recycling 272 6.5.3 Flake and Pellet Process 275 6.5.4 Bio-based Plastics 275 6.6 Poly(vinyl chloride) 276 6.6.1 Separation Techniques for PVC Waste Plastics 276 6.6.2 Surface Treatment 276 6.7 Pyrolysis of Mixed Plastics 278 6.7.1 Pyrolysis of PE and PVC Mixtures 279 6.7.2 Waste Catalyst for Hazardous Chlorine-Containing Plastic 280 6.7.3 Catalytic Hydrocracking of Post-Consumer Plastic Waste 280 6.7.4 Debromination of Pyrolysis Oil 282 6.7.5 Commingled Post-Consumer Polymer 283 6.7.6 Waste Packaging Separation 285 6.7.7 Hospital Wastes 286 6.7.8 Agricultural Plastic Film Wastes 287 6.8 Technical Biopolymers 288 6.8.1 Mechanical Recyclability 288 6.8.2 Hydrolytic Degradation 288 6.8.3 Measurement of Renewable Bio-source Content 289 6.9 Co-processing of Waste Plastics and Petroleum Residue 291 6.9.1 Co-processing with Light Arabian Crude Oil 291 6.10 Automotive Waste Plastics 292 6.10.1 Lightweight Aggregates 294 6.10.2 Titanium Nitride Film on Steel Substrate 297 6.11 Phthalates 297 6.12 Enzymatic Degradation 298 6.13 ElectronicWaste 299 6.13.1 Main Plastics in Electronic Waste 302 6.13.2 Recycling of Compact Discs 302 6.13.3 Liquid Crystal Displays 304 6.13.4 Pyrolysis of Printed Circuit Boards 305 6.13.5 Metal Recovery 305 6.13.6 Influence of Virgin Poly(carbonate) and Impact Modifier 309 6.14 Fiberglass Reinforced Plastics 309 6.15 Usage in Concrete 314 6.15.1 Plastic Waste as Fuel in Cement Production 314 6.15.2 Constructional Works 315 6.15.3 Lightweight Concrete 316 6.15.4 Bakelite Plastic Waste 316 6.15.5 Plastics from Waste of Electric and Electronic Equipment 317 6.15.6 Plastic Aggregates 318 6.15.7 Waste Plastics as Fiber 318 6.15.8 Fiber Reinforced Plastic Waste Powder 319 6.15.9 Domestic Waste Plastics 320 6.15.10 Usage in Pavement 321 6.15.11 Usage in Gypsum Blocks 324 6.16 Recycling of Floor Coverings 324 References 326 Index 337 Acronyms 337 Chemicals 340 General Index 345

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Book SynopsisThis book explains task management concepts and outlines practical knowledge to help pharmaceutical analytical scientists become productive and enhance their career. Presents broad topics such as product development process, regulatory requirement, task and project management, innovation mindset, molecular recognition, separation science, degradation chemistry, and statistics. Provokes thinking through figures, tables, and case studies to help understand how the various functions integrate and how analytical development can work efficiently and effectively by applying science and creativity in their work. Discusses how to efficiently develop a fit-for-purpose HPLC method without screening dozens of columns, gradients, or mobile phase combinations each time, since the extra effort may not provide enough of a benefit to justify the cost and time in a fast-paced product development environment. Table of ContentsPreface ix 1 Pharmaceutical Development at a Glance 1 1.1 Prescription Medicinal Product Development 1 1.1.1 Active Pharmaceutical Ingredient (API) Development 2 1.1.2 Preclinical Research 3 1.1.3 Clinical Research – Phase 1, Safety and Dosage 4 1.1.4 Clinical Research – Phase 2, Efficacy and Side Effects 4 1.1.5 Clinical Research – Phase 3, Efficacy and Monitoring of Adverse Reactions 4 1.1.6 Clinical Research – Phase 4, Post-Market Safety Monitoring 5 1.1.7 FDA Approval of a Prescription Medicine 6 1.2 Over-the-Counter (OTC) Medicinal Product Development 6 1.2.1 FDA Monograph System 7 1.2.2 New Drug Application Process for an OTC Medicinal Product 8 1.2.3 Clinical Trials in OTC Product Development 9 1.2.4 Prescription to OTC Switch 9 References 9 2 Analytics in Fast-Paced Product Development 11 2.1 Overall Development Process for New Products 13 2.2 Regulatory Strategy and Analytical Development 20 2.2.1 NDA and ANDA Filing 22 2.2.2 Module 3 (CMC) of Common Technical Document 23 2.2.3 Supplements and Other Changes to an Approved NDA or ANDA 26 2.2.3.1 Major Changes – Prior Approval Supplement 28 2.2.3.2 Moderate Changes – CBE-30 29 2.2.3.3 Moderate Changes – CBE 29 2.2.3.4 Minor Changes – Annual Report 30 2.2.4 Analytical Development with FDA Guidelines in Mind 30 2.3 ICH Guidelines and Analytical Development 32 2.4 Pharmacopoeia Monographs and Analytical Development 37 2.5 Formulation Development and Analytical Development 38 2.5.1 Method Development Based on an Ideal, Comprehensive Quality by Design 40 2.5.2 Fit-for-Purpose, Teamwork, Knowledge Sharing, and Platform Approach 48 2.6 Methods for Scale-Up and Manufacturing QC Laboratories 55 2.7 Process Analytical Technology 59 2.8 Quality Assurance, Compliance, and Analytical Development 62 References 64 3 Effective, Efficient, and Innovative Analytical Development 67 3.1 Task Management by Fishbone Diagrams and Time-Bars 68 3.2 Project Management – Waterfall Versus Agile 82 3.3 Resource and Cost Estimations 88 3.4 Desired Skill Sets 92 3.5 Analytical Scientists and Innovation 94 3.5.1 Think Outside the Box 94 3.5.2 Think Inside the Box 95 3.5.3 Be Analytically Creative 97 References 99 4 Analytical Chemistry and Separation Science at Molecular Level 101 4.1 Ions and Ionic Strength 104 4.2 Protonation and Deprotonation 105 4.3 Hydrolysis of Salts 107 4.4 Charge–Dipole and Dipole–Dipole Interaction 109 4.5 Hydrogen Bonding 110 4.6 Electron Donor–Acceptor Interaction 113 4.7 Hydration and Solvation Energy 114 4.8 Hydrophobic Interactions 116 4.9 Events Happening on the Column Surface 118 4.10 Example Thought Processes of Chromatographic Method Development 126 4.10.1 General Considerations 126 4.10.2 Case Study – Method Development for Assay of Benzalkonium Chloride 129 4.10.2.1 Method Development 131 4.10.3 Case Study – Method Development for Analysis of Stereoisomers 133 4.10.3.1 Considerations of Column Stationary Phases 135 4.10.3.2 Considerations of Mobile Phase Compositions 137 4.10.3.3 Degradation Analysis Method Development 141 References 147 5 Degradation Chemistry and Product Development 151 5.1 Hydrolysis 152 5.2 Oxidation 155 5.3 Reactions of Common Functional Groups 160 5.3.1 Carboxylic Acid 160 5.3.2 Hydroxyl Group 162 5.3.3 Carbon–Carbon Double Bond 163 5.3.4 Amine Reactions 164 5.4 Summary of API Degradations 168 5.5 Stability Study and Forced Degradation 169 5.5.1 Guidelines on Long-Term Stability Study 169 5.5.2 Forced Degradation Study Considerations 171 5.6 Excipient Compatibility 174 5.6.1 General Remarks 174 5.6.2 Direct Reactions Between APIs and Excipients 175 5.6.3 Impurities in Excipients 176 5.6.4 Solid-State Stability – Role of Water 177 5.6.5 Experimental Considerations – Formulation Relevancy 180 5.7 Accelerated Stability Evaluation of Finished Products 183 References 186 6 Practical Statistics for Analytical Development 193 6.1 Basic Statistical Terms 195 6.1.1 Sample Versus Population 195 6.1.2 Mean, Variance, Standard Deviation, and Relative Standard Deviation 196 6.1.3 Normal Distribution 199 6.1.4 t-Statistics, F-Test, and ANOVA 201 6.1.5 Hypothesis Setting 205 6.1.6 Level of Significance and p-Value 211 6.1.7 Confidence Interval, Prediction Interval, and Tolerance Interval 214 6.2 Application of Statistics – Analytical Method Equivalency 219 6.3 Application of Statistics – Stability Data Trending 224 References 226 7 Thoughts on Conventional Chromatography Practices 229 7.1 Linear Regression 229 7.2 Response Factor, Linearity Slope, and y-Intercept 232 7.3 Relative Response Factor, Linearity Slope, and y-Intercept 235 7.4 Linearity and Method Accuracy 238 7.5 Injection Precision in System Suitability 240 7.6 Sample Preparation 242 7.7 Method Validation and Transfer: Mathematical Exercises or Analytical Sciences 245 7.8 Miscellaneous Considerations 249 References 251 Index 253

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Book SynopsisSOIL BIOREMEDIATION A practical guide to the environmentally sustainable bioremediation of soilSoil Bioremediation: An Approach Towards Sustainable Technology provides the first comprehensive discussion of sustainable and effective techniques for soil bioremediation involving microbes. Presenting established and updated research on emerging trends in bioremediation, this book provides contributions from both experimental and numerical researchers who provide reports on significant field trials.Soil Bioremediation instructs the reader on several different environmentally friendly bioremediation techniques, including:Bio-sorptionBio-augmentationBio-stimulationEmphasizing molecular approaches and biosynthetic pathways of microbes, this one-of-a-kind reference focuses heavily on the role of microbes in the degradation and removal of xenobiotic substances from the environment and presents a unique Table of ContentsList of Contributors vii Preface xiii 1 In-situ Bioremediation: An Eco-sustainable Approach for the Decontamination of Polluted Sites 1Shamsul Haq, Asma Absar Bhatti, Suhail Ahmad Bhat, Shafat Ahmad Mir, and Ansar ul Haq 2 Bioremediation: A Green Solution to avoid Pollution of the Environment 15Muhammad Mahroz Hussain, Zia Ur Rahman Farooqi, Junaid Latif, Muhammad Umair Mubarak, and Fazila Younas 3 Laccase: The Blue Copper Oxidase 41Deepa Thomas and A.K.Gangawane 4 Genome Assessment: Functional Gene Identification Involved in Heavy Metal Tolerance and Detoxification 51Uttara Mahapatra, Ayantika Pal, Ajay Kumar Manna, and Dijendra Nath Roy 5 Bioremediation of Heavy Metal Ions Contaminated Soil 87Agnieszka Saeid, Liliana Cepoi, Magdalena Jastrzębska, and Philiswa N. Nomngongo 6 Bioremediation of Dye Contaminated Soil 115Manikant Tripathi, Shailendra Kumar, Durgesh Narain Singh, Rajeev Pandey, Neelam Pathak, and Hera Fatima 7 Composting and Bioremediation Potential of Thermophiles 143Mohammad Yaseen Mir, Saima Hamid, Gulab Khan Rohela, Javid A. Parray, and Azra N. Kamili 8 Ecological Perspectives of Halophilic Fungi and their Role in Bioremediation 175Shekhar Jain, Devendra Kumar Choudhary, and Ajit Varma 9 Rhizobacteria-Mediated Bioremediation: Insights and Future Perspectives 193Vijay Kant Dixit, Sankalp Misra, Shashank Kumar Mishra, Namita Joshi, and Puneet Singh Chauhan 10 Bioremediation Potential of Rhizobacteria associated with Plants Under Abiotic Metal Stress 213Shrvan Kumar, Saroj Belbase, Asha Sinha, Mukesh Kumar Singh, Brajesh Kumar Mishra, and Ravindra Kumar 11 Molecular and Enzymatic Mechanism Pathways of Degradation of Pesticides Pollutants 257Rangasamy Kirubakaran, Athiappan Murugan, and Javid A. Parray 12 Bioremediation of Heavy Metals and Other Toxic Substances by Microorganisms 285Dhaneshwar Padhan, Pragyan Paramita Rout, Ritesh Kundu, Samrat Adhikary, and Purbasha Priyadarshini Padhi 13 Trends in Heavy Metal Remediation: An Environmental Perspective 331Baba Uqab, Gousia Jeelani, Sabeehah Rehman, B.A. Ganai, Ruqeya Nazir, and Javid A. Parray Index 349

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Book SynopsisTable of ContentsPreface ix Chapter 1: Crystals and Crystal Structures 1 1.1 Crystal Families and Crystal Systems 1 1.2 Unit Cells and Miller Indices 4 1.3 The Determination of Crystal Structures 6 1.4 The Description of Crystal Structures 6 1.5 Crystal Structures: Metals 8 1.5.1 The Cubic Close-packed (A1) Structure of Copper 9 1.5.2 The Body-Centred Cubic (A2) Structure of Tungsten 9 1.5.3 The Hexagonal (A3) Structure of Magnesium 10 1.6 Crystal Structures: Binary Compounds 10 1.6.1 The Halite (Rock Salt, NaCl) Structure 10 1.6.2 The Rutile Structure 11 1.6.3 The Fluorite Structure 11 1.7 The Cubic Perovskite Structure 12 1.8 The Structure of Urea 13 1.9 The Density of a Crystal 14 Answers to Introductory Questions 15 Problems and Exercises 16 Chapter 2: Lattices, Planes and Directions 19 2.1 Two-dimensional Lattices 19 2.2 Unit Cells 22 2.3 The Reciprocal Lattice in Two Dimensions 22 2.4 Three-dimensional Lattices 26 2.5 Rhombohedral, Hexagonal and Cubic Lattices 29 2.6 Alternative Unit Cells 30 2.7 The Reciprocal Lattice in Three Dimensions 31 2.8 Lattice Planes and Miller Indices 34 2.9 Hexagonal Lattices and Miller-Bravais Indices 37 2.10 Miller Indices and Planes in Crystals 37 2.11 Directions 39 2.12 Lattice Geometry 41 Answers to Introductory Questions 44 Problems and Exercises 44 Chapter 3: Two-dimensional Patterns and Tiling 49 3.1 The Symmetry of an Isolated Shape: Point Symmetry 49 3.2 Rotation Symmetry of a Plane Lattice 52 3.3 The Symmetry of the Plane Lattices 53 3.4 The Ten Plane Crystallographic Point Symmetry Groups 55 3.5 The Symmetry of Patterns: The 17 Plane Groups 57 3.6 Two-dimensional Crystal Structures 63 3.7 General and Special Positions 66 3.8 Tesselations 68 Answers to Introductory Questions 71 Problems and Exercises 71 Chapter 4: Symmetry in Three Dimensions 75 4.1 The Mirror Plane and Axes of Rotation 75 4.2 Axes of Inversion: Rotoinversion 77 4.3 Axes of Inversion: Rotoreflection 80 4.4 The Hermann-Mauguin Symbols for Point Groups 81 4.5 The Symmetry of the Bravais Lattices 83 4.6 The Crystallographic Point Groups 84 Answers to Introductory Questions 87 Problems and Exercises 88 Chapter 5: Symmetry and Physical Properties 93 5.1 Properties and Symmetry 93 5.2 Point Groups and Physical Properties 94 5.3 Specification of Physical Properties 96 5.4 Refractive Index 97 5.5 Optical Activity 100 5.5.1 Specific Rotation 100 5.5.2 Crystal Symmetry and Optical Activity 101 5.5.3 Optical Activity in Homogeneous Crystals 101 5.5.4 Optical Activity in Crystals Containing Molecules 102 5.5.5 Optical Activity and Chiral Molecules 103 5.5.6 Optical Activity, Chemical Reactivity and Symmetry 103 5.6 The Pyroelectric Effect 104 5.6.1 Pyroelectric and Ferroelectric Crystals 104 5.6.2 Crystallographic Aspects of Pyro- and Ferroelectric Behaviour 106 5.7 Dielectric Properties 109 5.7.1 Dielectrics 109 5.7.2 Isotropic Materials 110 5.7.3 Non-isotropic Materials 110 5.8 Magnetic Point Groups and Colour Symmetry 111 Answers to Introductory Questions 113 Problems and Exercises 114 Chapter 6: Building Crystal Structures from Lattices and Space Groups 117 6.1 Symmetry of Three-dimensional Patterns: Space Groups 117 6.2 The Crystallographic Space Groups 119 6.3 Space Group Symmetry Symbols 121 6.4 The Graphical Representation of the Space Groups 125 6.5 Building a Structure from a Space Group: Cs3P7 128 6.6 The Structure of Diopside, MgCaSi2O6 131 6.7 The Structure of Alanine, C3H7NO2 134 Answers to Introductory Questions 139 Problems and Exercises 139 Chapter 7: Diffraction and Crystal Structure Determination 143 7.1 The Occurrence of Diffracted Beams: Bragg s Law 144 7.2 The Geometry of the Diffraction Pattern 145 7.3 Particle Size 149 7.4 The Intensities of Diffracted Beams 150 7.5 The Atomic Scattering Factor 151 7.6 The Structure Factor 152 7.7 Structure Factors and Intensities 156 7.8 Numerical Evaluation of Structure Factors 158 7.9 Symmetry and Reflection Intensities 159 7.10 The Temperature Factor 161 7.11 Powder X-ray Diffraction 163 7.12 Neutron Diffraction 168 7.13 Structure Determination Using X-ray Diffraction 169 7.14 Solving the Phase Problem 171 7.15 Electron Microscopy 172 7.15.1 Diffraction Patterns and Structure Images 172 7.15.2 Diffraction and Fourier Transforms 177 7.16 Protein Crystallography 178 7.16.1 The Phase Problem 178 7.16.2 The Crystallinity Problem: SFX 182 7.16.3 The Crystallinity Problem: Single Particle Cryo-EM 183 Answers to Introductory Questions 185 Problems and Exercises 186 Chapter 8: The Depiction of Crystal Structures 189 8.1 The Size of Atoms 189 8.2 Sphere Packing 190 8.3 Metallic Radii 193 8.4 Ionic Radii 194 8.5 Covalent Radii 197 8.6 Van der Waals Radii 198 8.7 Ionic Structures and Structure Building Rules 198 8.8 The Bond Valence Model 199 8.9 Structures in Terms of Non-metal (Anion) Packing 202 8.10 Structures in Terms of Metal (Cation) Packing 203 8.11 Cation-Centred Polyhedral Representations of Crystals 204 8.12 Polyhedral Representations of Crystals and Diffusion Paths 207 8.13 Structures as Nets 210 8.14 Organic Structures 212 8.15 Protein Structures 212 8.15.1 Proteins: Primary Structure 212 8.15.2 Proteins: Secondary, Tertiary and Quaternary Structure 214 Answers to Introductory Questions 218 Problems and Exercises 219 Chapter 9: Defects, Modulated Structures and Quasicrystals 223 9.1 Defects and Occupancy Factors 223 9.2 Defects and Unit Cell Parameters 225 9.3 Defects and Density 226 9.4 Modular Structures 227 9.5 Polytypes 231 9.6 Crystallographic Shear (CS) Phases 233 9.7 Planar Intergrowths and Polysomes 237 9.8 Incommensurately Modulated Structures 242 9.9 Quasicrystals 248 Answers to Introductory Questions 252 Problems and Exercises 253 Appendices 257 Appendix A Vector Addition and Subtraction 257 Appendix B Crystallographic Data for Some Inorganic Crystal Structures 259 Appendix C Schoenflies Symbols 263 Appendix D The 230 Space Groups 267 Appendix E Complex Numbers 271 Appendix F Complex Amplitudes 273 Answers to Problems and Exercises 275 Bibliography 283 Index 289

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Book SynopsisFlexible Thermoelectric Polymers and Systems Comprehensive review of the rapidly evolving field of flexible thermoelectric polymers Flexible Thermoelectric Polymers and Systems delivers an expansive exploration of the most recent developments in flexible thermoelectric polymers and composites, as well as their applications in thermoelectric generators and Peltier coolers. The book focuses on novel designs and applications of technologies such as low-dimensional thermoelectric materials and how the latest advances have begun to overcome problems including poor mechanical flexibility and high fabrication costs. The book begins with a review of the fundamentals of thermoelectric materials, including discussions of the properties of thermoelectric materials, the Seebeck, Peltier, and Thomson effects, electrical conductivity, thermal conductivity, and thermoelectric generators, cooling, and sensors. It goes on to discuss more advanced developments in the field, such as flexible thermoelectrTable of Contents List of Contributors ix Preface xiii 1 Fundamental Knowledge on Thermoelectric Materials 1 Jianyong Ouyang and Hanlin Cheng 1.1 Properties of Thermoelectric Materials 1 1.1.1 Thermoelectric Effect 3 1.1.2 Seebeck Effect 3 1.1.3 Peltier Effect 11 1.1.4 Thomson Effect 11 1.1.5 Electrical Conductivity 12 1.1.5.1 Charge Carrier Density 12 1.1.5.2 Charge Carrier Mobility 15 1.1.5.3 Temperature Dependence of Conductivity 17 1.1.5.4 Conductivity of Composites 20 1.1.6 Thermal Conductivity 22 1.2 Thermoelectric Generators 24 1.2.1 Dependence of Thermoelectric Efficiency on ZT 24 1.2.2 Effect of Electrical and Thermal Contact Resistances On Thermoelectric Performance 25 1.2.3 Equation of Thermoelectric Efficiency 27 1.3 Peltier Cooling 35 1.4 Thermoelectric Sensors 37 1.5 Summary 37 Acknowledgment 38 References 38 2 Conductive Polymers for Flexible Thermoelectric Systems 41 Lin Hu, Zaifang Li, Yinhua Zhou, and Fengling Zhang 2.1 Introduction 41 2.1.1 The Discovery and Development of Conductive Polymers 42 2.1.2 Representative Structures 43 2.1.2.1 Polyacetylene (PAc) 44 2.1.2.2 Polyaniline (PAni) 44 2.1.2.3 Polypyrrole (PPy) 45 2.1.2.4 Polythiophene (PTh) and Derivatives 46 2.1.3 Conductive Mechanism 47 2.2 Chemical Design and Synthesis of Conductive Polymers 48 2.2.1 Energy Level Design of Conjugated Polymers 48 2.2.2 Tuning Molecular Conformations 51 2.2.3 Melt and Solution Processability 51 2.3 Doping of Conductive Polymers 52 2.3.1 n-Type Doping 54 2.3.2 p-Type Doping 55 2.4 The Properties of Poly(3,4-ethylenedioxythiophene) 57 2.4.1 Oxidative and in situ Polymerization of EDOT to PEDOT 57 2.4.2 Counterions for PEDOT 58 2.4.3 PEDOT:PSS 59 2.4.4 Applications in Organic Electronics 62 2.4.4.1 As an Electrode in Organic Solar Cells 62 2.4.4.2 Buffer Layer in Organic Solar Cells 64 2.4.4.3 Polymer-Based Organic Thermoelectric Generators 64 2.5 Processing Technics for Flexible Thermoelectric Generators 65 2.6 Conclusions and Perspectives 69 Acknowledgments 69 References 70 3 Flexible Thermoelectrics Based on Poly(3,4-Ethylenedioxythiophene) 81 Ming Hui Chua, Ady Suwardi, and Jianwei Xu 3.1 Introduction 81 3.2 TE Materials and Devices 83 3.2.1 Fundamental Principles and Theory of Thermoelectrics 83 3.2.2 PEDOT and Its Composites as TE Materials 85 3.2.3 General Configuration of TE Devices and Generators 88 3.2.4 Parameters of TE Device and Generator Performances 90 3.2.4.1 Output Voltage 90 3.2.4.2 Output Power Density 91 3.3 PEDOT-Based Flexible TE Materials 92 3.4 PEDOT: PSS-Based TEGs 99 3.5 Conclusions and Perspectives 110 Acknowledgments 111 Conflict of Interests 112 References 112 4 Flexible Thermoelectric Plastic Via Electrochemistry 117 Fengxing Jiang, Peipei Liu, Baoyang Lu, Congcong Liu, and Jingkun Xu 4.1 Introduction 117 4.2 Electrochemical Deposition of CPs 118 4.3 Electronic Structure and Optical Properties 125 4.4 Electrochemical Doping and De-doping 130 4.5 Thermoelectric Performance of Flexible CP Films 133 4.5.1 Polythiophenes 133 4.5.2 Polyselenophenes 135 4.5.3 Polycarbazolyls 136 4.5.4 Copolymers 137 4.6 Control in Thermoelectric Performance by Electrochemistry 138 4.7 Conclusions 140 Acknowledgments 142 References 142 5 Thermoelectric Properties of Conducting Polymers with Ionic Conductors 145 Zeng Fan, Jianyong Ouyang, and Lujun Pan 5.1 Introduction 145 5.2 Mixed Ionic-Electronic Conductors 146 5.3 Ionic Conductor/Conducting Polymer Heterostructures 150 5.4 High-Performance Ion-Conducting TE Polymers 154 5.5 Applications of Electronic–Ionic Coupled TE Organics 158 5.5.1 TE Generators 158 5.5.2 Ionic TE Capacitors 159 5.5.3 Multifunctional Sensors 160 5.6 Summary 161 Acknowledgments 161 References 161 6 Thermoelectric Properties of Carbon Nanomaterials/Polymer Composites 163 Yue Shu, Zhenghong Xiong, Yang Liu, Yongli Zhou, Meng Li, Yujie Zheng, Shanshan Chen, and Kuan Sun 6.1 Introduction 163 6.2 Conducting Polymers 164 6.2.1 PEDOT:PSS 165 6.2.1.1 CNT/PEDOT:PSS 165 6.2.1.2 Graphene/PEDOT:PSS 171 6.2.2 Polyaniline (PANI) 173 6.2.2.1 Powder Mixing Method 174 6.2.2.2 Solution Mixing Method 178 6.2.2.3 In Situ Polymerization Method 180 6.2.2.4 Layer-by-Layer (LBL) Deposition 184 6.2.3 Polypyrrole (PPy) 184 6.2.4 Other P-Type Conducting Polymers 186 6.2.5 N-Type TE Composites 187 6.3 Non-Conducting Polymers 188 6.3.1 Wrap 190 6.3.2 Layer-by-Layer Deposition 191 6.3.3 Segregated Network 193 6.4 Ternary Thermoelectric Material 194 6.4.1 Non-conducting Polymer 194 6.4.2 Conducting Polymer 195 6.5 Summary and Outlook 198 References 199 7 Low-dimensional Thermoelectric Materials 209 Xinyi Chen, Yuanyuan Zheng, Xue Han, Yuanyuan Jing, Minzhi Du, Chunhong Lu, and Kun Zhang 7.1 Introduction 209 7.2 Zero-Dimensional (0D) Inorganic Semiconducting Nanocrystals 209 7.2.1 Measurements 210 7.2.2 Materials and Properties 211 7.2.2.1 Fullerene 211 7.2.2.2 Graphene Quantum Dots 213 7.3 One-Dimensional (1D) Thermoelectric Materials 214 7.3.1 1D Organic Thermoelectric Materials 214 7.3.1.1 Poly(3,4-Ethylenedioxythiophene) anowires 214 7.3.1.2 Other Polymer Nanowires 217 7.3.2 Carbon Nanotubes 219 7.4 Two-Dimensional (2D) Thermoelectric Materials 222 7.4.1 Graphene 223 7.4.2 Black Phosphorus 226 7.4.3 Mxenes 229 References 233 Index 239

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Book SynopsisA guide to the chemical agents that protect plants from various environmental stressors Protective Chemical Agents in the Amelioration of Plant Abiotic Stress offers a guide to the diverse chemical agents that have the potential to mitigate different forms of abiotic stresses in plants. Edited by two experts on the topic, the book explores the role of novel chemicals and shows how using such unique chemical agents can tackle the oxidative damages caused by environmental stresses. Exogenous application of different chemical agents or chemical priming of seeds presents opportunities for crop stress management. The use of chemical compounds as protective agents has been found to improve plant tolerance significantly in various crop and non-crop species against a range of different individually applied abiotic stresses by regulating the endogenous levels of the protective agents within plants. This important book: Explores the efficacy of variousTable of ContentsList of Contributors xix 1 Role of Proline and Glycine Betaine in Overcoming Abiotic Stresses 1Murat Dikilitas, Eray Simsek, and Aryadeep Roychoudhury 1.1 Introduction 1 1.2 Responses of Crop Plants Under Abiotic Stresses 2 1.3 Mechanisms of Osmoprotectant Functions in Overcoming Stress 3 1.4 Application of Osmoprotectants in Stress Conditions 7 1.5 Conclusion and Future Perspectives 14 Acknowledgment 14 References 15 2 Glycine Betaine and Crop Abiotic Stress Tolerance: An Update 24Giridara-Kumar Surabhi and Arpita Rout 2.1 Introduction 24 2.2 Biosynthesis of GB 25 2.3 Accumulation of GB Under Abiotic Stress in Crop Plants 26 2.4 Exogenous Application of GB in Crop Plants Under Abiotic Stress 27 2.5 Transgenic Approach to Enhance GB Accumulation in Crop Plants Under Abiotic Stress 33 2.6 Effect of GB on Reproductive Stage in Different Crops 35 2.7 Pyramiding GB Synthesizing Genes for Enhancing Abiotic Stress Tolerance in Plants 41 2.8 Conclusion and Future Prospective 43 Acknowledgment 43 Reference 44 3 Osmoprotective Role of Sugar in Mitigating Abiotic Stress in Plants 53Farhan Ahmad, Ananya Singh, and Aisha Kamal 3.1 Introduction 53 3.2 Involvement of Sugar in Plant Developmental Process 54 3.3 Multidimensional Role of Sugar Under Optimal and Stressed Conditions 55 References 62 4 Sugars and Sugar Polyols in Overcoming Environmental Stresses 71Saswati Bhattacharya and Anirban Kundu 4.1 Introduction 71 4.2 Types of Sugars and Sugar Alcohols 72 4.3 Mechanism of Action of Sugars and Polyols 77 4.4 Involvement of Sugars and Polyols in Abiotic Stress Tolerance 82 4.5 Engineering Abiotic Stress Tolerance Using Sugars and Sugar Alcohols 87 4.6 Conclusions and Future Perspectives 91 References 92 5 Ascorbate and Tocopherols in Mitigating Oxidative Stress 102Kingsuk Das 5.1 Introduction 102 5.2 Role of Ascorbic Acid in Plant Physiological Processes 103 5.3 Transgenic Approaches for Overproduction of Ascorbate Content for Fight Against Abiotic Stress 104 5.4 Conclusion 113 References 114 6 Role of Glutathione Application in Overcoming Environmental Stress 122Nimisha Amist and N. B. Singh 6.1 Introduction 122 6.2 Glutathione Molecular Structure 123 6.3 Glutathione Biosynthesis and Distribution 124 6.4 Glutathione-induced Oxidative Stress Tolerance 127 6.5 Impact of Abiotic Stress on Glutathione Content in Various Plants 129 6.6 Exogenous Application of GSH in Plants 131 6.7 Cross Talk on Glutathione Signaling Under Abiotic Stress 131 6.8 Conclusion 137 References 137 7 Modulation of Abiotic Stress Tolerance Through Hydrogen Peroxide 147Murat Dikilitas, Eray Simsek, and Aryadeep Roychoudhury 7.1 Introduction 147 7.2 Abiotic Stress in Crop Plants 149 7.3 Mechanisms of Hydrogen Peroxide in Cells 149 7.4 Role of Hydrogen Peroxide in Overcoming Stress 154 7.5 Conclusion and Future Perspectives 163 Acknowledgment 163 References 163 8 Exogenous Nitric Oxide- and Hydrogen Sulfide-induced Abiotic Stress Tolerance in Plants 174Mirza Hasanuzzaman, M. H. M. Borhannuddin Bhuyan, Kamrun Nahar, Sayed Mohammad Mohsin, Jubayer Al Mahmud, Khursheda Parvin, and Masayuki Fujita 8.1 Introduction 174 8.2 Nitric Oxide Biosynthesis in Plants 175 8.3 Hydrogen Sulfide Biosynthesis in Plants 177 8.4 Application Methods of NO and H2S Donors in Plants 178 8.5 Exogenous NO-induced Abiotic Stress Tolerance 178 8.6 Conclusions and Outlook 202 References 203 9 Role of Nitric Oxide in Overcoming Heavy Metal Stress 214Pradyumna Kumar Singh, Madhu Tiwari, Maria Kidwai, Dipali Srivastava, Rudra Deo Tripathi, and Debasis Chakrabarty 9.1 Introduction 214 9.2 Nitric Oxide and Osmolyte Synthesis During Heavy Metal Stress 216 9.3 Relation of Nitric Oxide and Secondary Metabolite Modulation in Heavy Metal Stress 217 9.4 Regulation of Redox Regulatory Mechanism by Nitric Oxide 218 9.5 Nitric Oxide and Hormonal Cross Talk During Heavy Metal Stress 222 9.6 Conclusion 227 References 227 10 Protective Role of Sodium Nitroprusside in Overcoming Diverse Environmental Stresses in Plants 238Satabdi Ghosh 10.1 Introduction 238 10.2 Role of SNP in Alleviating Abiotic Stress 239 10.3 Conclusion and Future Prospect 245 Acknowledgments 245 References 245 11 Role of Growth Regulators and Phytohormones in Overcoming Environmental Stress 254Deepesh Bhatt, Manoj Nath, Mayank Sharma, Megha D. Bhatt, Deepak Singh Bisht, and Naresh V. Butani 11.1 Introduction 254 11.2 Function of Classical Plant Hormones in Stress Mitigation 256 11.3 Role of Specialized Stress-responsive Hormones 260 11.4 Hormone Cross Talk and Stress Alleviation 265 11.5 Conclusions and Future Perspective 268 References 268 12 Abscisic Acid Application and Abiotic Stress Amelioration 280Nasreena Sajjad , Eijaz Ahmed Bhat, Durdana Shah, Abubakar Wani, Nazish Nazir, Rohaya Ali, and Sumaya Hassan 12.1 Introduction 280 12.2 Abscisic Acid Biosynthesis 281 12.3 Role of Abscisic Acid in Plant Stress Tolerance 282 12.4 Regulation of ABA Biosynthesis Through Abiotic Stress 282 12.5 ABA and Abiotic Stress Signaling 283 12.6 Drought Stress 284 12.7 UV-B Stress 284 12.8 Water Stress 285 12.9 ABA and Transcription Factors in Stress Tolerance 285 12.10 Conclusion 286 References 286 13 Role of Polyamines in Mitigating Abiotic Stress 291Rohaya Ali, Sumaya Hassan, Durdana Shah, Nasreena Sajjad, and Eijaz Ahmed Bhat 13.1 Introduction 291 13.2 Distribution and Function of Polyamines 293 13.3 Synthesis, Catabolism, and Role of Polyamines 293 13.4 Polyamines and Abiotic Stress 295 13.5 Conclusion 299 References 300 14 Role of Melatonin in Amelioration of Abiotic Stress-induced Damages 306Nasreena Sajjad, Eijaz Ahmed Bhat, Sumaya Hassan, Rohaya Ali , and Durdana Shah 14.1 Introduction 306 14.2 Melatonin Biosynthesis in Plants 306 14.3 Modulation of Melatonin Levels in Plants Under Stress Conditions 307 14.4 Role of Melatonin in Amelioration of Stress-induced Damages 309 14.5 Mechanisms of Melatonin-mediated Stress Tolerance 311 14.6 Conclusion 313 References 313 15 Brassinosteroids in Lowering Abiotic Stress-mediated Damages 318Gunjan Sirohi and Meenu Kapoor 15.1 Introduction 318 15.2 BR-induced Stress Tolerance in Plants 319 15.3 Conclusions and Future Perspectives 323 References 323 16 Strigolactones in Overcoming Environmental Stresses 327Megha D. Bhatt, and Deepesh Bhatt 16.1 Introduction 327 16.2 Various Roles of SLs in Plants 331 16.3 Cross Talk Between Other Phytohormones and SLs 335 16.4 Conclusion 336 References 336 17 Emerging Roles of Salicylic Acid and Jasmonates in Plant Abiotic Stress Responses 342Parankusam Santisree, Lakshmi Chandra Lekha Jalli, Pooja Bhatnagar-Mathur, and Kiran K. Sharma 17.1 Introduction 342 17.2 Salicylic Acid 343 17.3 Biosynthesis and Metabolism of SA 343 17.4 SA in Abiotic Stress Tolerance 346 17.5 Signaling of SA Under Abiotic Stress 351 17.6 Jasmonic Acid 352 17.7 Physiological Function of Jasmonates 353 17.8 Biosynthesis of Jasmonic Acid 354 17.9 JA Signaling in Plants 355 17.10 JA and Abiotic Stress 356 17.11 Role of Jasmonates in Temperature Stress 357 17.12 Metal Stress and Role of Jasmonates 358 17.13 Jasmonates and Salt Stress 359 17.14 Jasmonates and Water Stress 360 17.15 Cross Talk Between JA and SA Under Abiotic Stress 361 17.16 Concluding Remarks 362 Acknowledgments 363 References 363 18 Multifaceted Roles of Salicylic Acid and Jasmonic Acid in Plants Against Abiotic Stresses 374Nilanjan Chakraborty , Anik Sarkar, and Krishnendu Acharya 18.1 Introduction 374 18.2 Biosynthesis of SA and JA 374 18.3 Exogenous Application of SA and JA in Abiotic Stress Responses 377 18.4 Future Goal and Concluding Remarks 378 References 383 19 Brassinosteroids and Salicylic Acid as Chemical Agents to Ameliorate Diverse Environmental Stresses in Plants 389B. Vidya Vardhini 19.1 Introduction 389 19.2 Overview of PGRs 389 19.3 BRs and SA in Ameliorating Abiotic Stresses 390 19.4 Conclusion 400 References 400 20 Role of γ-Aminobutyric Acid in the Mitigation of Abiotic Stress in Plants 413Ankur Singh and Aryadeep Roychoudhury 20.1 Introduction 413 20.2 GABA Metabolism 414 20.3 Protective Role of GABA Under Different Stresses 415 20.4 Conclusion and Future Perspective 419 Acknowledgments 419 Reference 420 21 Isoprenoids in Plant Protection Against Abiotic Stress 424Syed Uzma Jalil and Mohammad Israil Ansari 21.1 Introduction 424 21.2 Synthesis of Free Radicals During Abiotic Stress Conditions 426 21.3 Biosynthesis of Isoprenoids in Plants 427 21.4 Functions and Mechanisms of Isoprenoids During Abiotic Stresses 428 21.5 Conclusion 430 Acknowledgments 431 References 431 22 Involvement of Sulfur in the Regulation of Abiotic Stress Tolerance in Plants 437Santanu Samanta, Ankur Singh, and Aryadeep Roychoudhury 22.1 Introduction 437 22.2 Sulfur Metabolism 438 22.3 Sulfur Compounds Having Potential to Ameliorate Abiotic Stress 438 22.4 Role of Sulfur Compounds During Salinity Stress 441 22.5 Role of Sulfur Compounds During Drought Stress 443 22.6 Role of Sulfur Compounds During Temperature Stress 444 22.7 Role of Sulfur Compounds During Light Stress 446 22.8 Role of Sulfur Compounds in Heavy Metal Stress 447 22.9 Conclusion and Future Perspectives 452 Acknowledgments 452 References 453 23 Role of Thiourea in Mitigating Different Environmental Stresses in Plants 467Vikas Yadav Patade, Ganesh C. Nikalje, and Sudhakar Srivastava 23.1 Introduction 467 23.2 Modes of TU Application 468 23.3 Biological Roles of TU Under Normal Conditions 469 23.4 Role of Exogenous Application of TU in Mitigation of Environmental Stresses 470 23.5 Mechanisms of TU-mediated Enhanced Stress Tolerance 474 23.6 Success Stories of TU Application at Field Level 476 23.7 Conclusion 477 References 478 24 Oxylipins and Strobilurins as Protective Chemical Agents to Generate Abiotic Stress Tolerance in Plants 483Aditya Banerjee and Aryadeep Roychoudhury 24.1 Introduction 483 24.2 Signaling Mediated by Oxylipins 484 24.3 Roles of Oxylipins in Abiotic Stress Tolerance 484 24.4 Role of Strobilurins in Abiotic Stress Tolerance 486 24.5 Conclusion 487 24.6 Future Perspectives 487 Acknowledgments 487 References 487 25 Role of Triacontanol in Overcoming Environmental Stresses 491Abbu Zaid, Mohd. Asgher, Ishfaq Ahmad Wani, and Shabir H. Wani 25.1 Introduction 491 25.2 Environmental Stresses and Tria as a Principal Stress-Alleviating Component in Diverse Crop Plants 493 25.3 Assessment of Foliar and Seed Priming Tria Application in Regulating Diverse Physio-biochemical Traits in Plants 497 25.4 Conclusion and Future Prospects 499 Acknowledgments 502 References 502 26 Penconazole, Paclobutrazol, and Triacontanol in Overcoming Environmental Stress in Plants 510Saket Chandra and Aryadeep Roychoudhury 26.1 Introduction 510 26.2 Nature of Damages by Different Abiotic Stresses 512 26.3 Synthesis of Chemicals 515 26.4 Role of Exogenously Added Penconazole, Paclobutrazol, and Triacontanol During Stress 516 26.5 Conclusion 523 Acknowledgment 524 References 524 27 Role of Calcium and Potassium in Amelioration of Environmental Stress in Plants 535Jainendra Pathak, Haseen Ahmed, Neha Kumari, Abha Pandey, Rajneesh, and Rajeshwar P. Sinha 27.1 Introduction 535 27.2 Biological Functions of Calcium and Potassium in Plants 537 27.3 Calcium and Potassium Uptake, Transport, and Assimilation in Plants 538 27.4 Calcium- and Potassium-induced Abiotic Stress Signaling 540 27.5 Role of Calcium and Potassium in Abiotic Stress Tolerance 542 27.6 Waterlogging Conditions 550 27.7 High Light Intensity 550 27.8 Conclusion 551 Acknowledgments 551 References 552 28 Role of Nitric Oxide and Calcium Signaling in Abiotic Stress Tolerance in Plants 563Zaffar Malik, Sobia Afzal, Muhammad Danish, Ghulam Hassan Abbasi, Syed Asad Hussain Bukhari, Muhammad Imran Khan, Muhammad Dawood, Muhammad Kamran, Mona H. Soliman, Muhammad Rizwan, Haifa Abdulaziz S. Alhaithloulf, and Shafaqat Ali 28.1 Introduction 563 28.2 Sources of Nitric Oxide Biosynthesis in Plants 565 28.3 Effects of Nitric Oxide on Plants Under Abiotic Stresses 566 28.4 Role of Calcium Signaling During Abiotic Stresses 571 References 575 29 Iron, Zinc, and Copper Application in Overcoming Environmental Stress 582Titash Dutta, Nageswara Rao Reddy Neelapu, and Challa Surekha 29.1 Introduction 582 29.2 Iron 586 29.3 Zinc 587 29.4 Copper 588 29.5 Conclusion 590 References 590 30 Role of Selenium and Manganese in Mitigating Oxidative Damages 597Saket Chandra and Aryadeep Roychoudhury 30.1 Introduction 597 30.2 Factors Augmenting Oxidative Stress 599 30.3 Effects of Heavy Metals on Plants 601 30.4 Role of Manganese (Mn) in Controlling Oxidative Stress 604 30.5 Role of Selenium (Se) in Controlling Oxidative Stress 607 30.6 Role of Antioxidants in Counteracting ROS 608 30.7 Role of Se in Re-establishing Cellular Structure and Function 609 30.8 Conclusion 610 Acknowledgment 611 References 611 31 Role of Silicon Transportation Through Aquaporin Genes for Abiotic Stress Tolerance in Plants 622Ashwini Talakayala, Srinivas Ankanagari, and Mallikarjuna Garladinne 31.1 Introduction 622 31.2 Aquaporins 623 31.3 Molecular Mechanism of Water and Si Transportation Through Aquaporins 624 31.4 AQP Gating Influx/Outflux 624 31.5 Si-induced AQP Trafficking 627 31.6 Roles of Aquaporins in Plant–Water Relations Under Abiotic Stress 627 31.7 Role of Silicon in Abiotic Stress Tolerance 627 31.8 Si-mediated Drought Tolerance Through Aquaporins 627 31.9 Si-mediated Salinity Tolerance Through Aquaporins 628 31.10 Si-mediated Oxidative Tolerance Through Aquaporins 629 31.11 Si Mediated Signal Transduction Pathway Under Biotic Stress 630 31.12 Conclusion 630 References 630 32 Application of Nanoparticles in Overcoming Different Environmental Stresses 635Deepesh Bhatt, Megha D. Bhatt, Manoj Nath, Rachana Dudhat, Mayank Sharma, and Deepak Singh Bisht 32.1 Introduction 635 32.2 Physicochemical Properties of Nanoparticles 637 32.3 Mode of Synthesis of Nanoparticles 638 32.4 Types of Nanoparticles and Their Role in Stress Acclimation 639 32.5 Types of Environmental Stresses 646 32.6 Possible Protective Mechanism of Nanoparticles 649 32.7 Conclusion and Future Perspectives 650 References 650 Index 655

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Book Synopsis3D industrial printing has become mainstream in manufacturing. This unique book is the first to focus on polymers as the printing material. The scientific literature with respect to 3D printing is collated in this monograph. The book opens with a chapter on foundational issues such and presents a broad overview of 3D printing procedures and the materials used therein. In particular, the methods of 3d printing are discussed and the polymers and composites used for 3d printing are detailed. The book details the main fields of applications areas which include electric and magnetic uses, medical applications, and pharmaceutical applications. Electric and magnetic uses include electronic materials, actuators, piezoelectric materials, antennas, batteries and fuel cells. Medical applications are organ manufacturing, bone repair materials, drug-eluting coronary stents, and dental applications. The pharmaceutical applications are composite tablets, transdermal drug delivery, and patient-sTable of ContentsPreface xi 1 Methods of 3D Printing 1 1.1 History 2 1.1.1 Recently Developed Materials for 3D Printing 5 1.1.2 Shrinkage Compensation 5 1.2 Basic Principles 9 1.2.1 4D Printing 10 1.3 Uses and Applications 10 1.3.1 Heat Exchangers 10 1.3.2 3D Plastic Model 10 1.3.3 Gradient Refractive Index Lenses 11 1.3.4 Photoformable Composition 13 1.3.5 Comb Polymers 13 1.3.6 Post-Processing Infiltration 14 1.3.7 Sensors and Biosensors 16 1.4 Magnetic Separation 19 1.5 Rapid Prototyping 20 1.5.1 Variants of Rapid Prototyping 22 1.5.2 3D Microfluidic Channel Systems 24 1.5.3 Aluminum and Magnesium Cores 24 1.5.4 Cellular Composites 25 1.5.5 Powder Compositions 25 1.5.6 Organopolysiloxane Compositions 26 1.5.7 Thermoplastic Powder Material 29 1.5.8 Plasticizer-Assisted Sintering 29 1.5.9 Radiation-Curable Resin Composition 29 1.6 Solution Mask Liquid Lithography 33 1.7 Vat Polymerization 34 1.7.1 Poly(dimethyl siloxane)-Based Photopolymer 35 1.8 Hot Lithography 37 1.9 Ambient Reactive Extrusion 37 1.10 Micromanufacturing Engineering 38 1.11 Analytical Uses 38 1.11.1 Gas Sensors 38 1.12 Chemical Engineering 39 1.12.1 Gas Separation 41 1.12.2 Hierarchical Monoliths for Carbon Monoxide Methanation 42 1.13 Rotating Spinnerets 43 1.14 Objects with Surface Microstructures 45 1.15 Lightweight Cellular Composites 46 1.16 Textiles 47 1.16.1 3D Printed Polymers Combined with Textiles 47 1.16.2 Mechanical and Electrical Contacting 47 1.16.3 Soft Electronic Textiles 48 1.16.4 4D Textiles 50 References 51 2 Polymers 61 2.1 Polymer Matrix Composites 61 2.1.1 Biocomposite Filaments 63 2.1.2 Nanocomposites 64 2.1.3 Nanowires 65 2.1.4 Fiber Reinforced Polymers 66 2.1.5 Carbon Fiber Polymer Composites 67 2.1.6 FDM Printing 70 2.1.7 Powder Bed and Inkjet Head 3D Printing 73 2.1.8 Stereolithography 73 2.1.9 Selective Laser Sintering 74 2.2 Sequential Interpenetrating Polymer Network 74 2.3 3D Printable Diamond Polymer Composite 75 2.4 Adhesives for 3D Printing 76 2.5 Voronoi-Based Composite Structures 77 2.6 Graphene Oxide Reinforced Complex Architectures 78 2.7 Multiwalled Carbon Nanotube Composites 79 2.8 Multifunctional Polymer Nanocomposites 81 2.9 Additive Manufacturing 83 2.9.1 Thermosetting Polymers 85 2.9.2 UV Curable Materials 85 2.9.3 (Meth)acrylate Monomers 88 2.9.4 Thiol-ene and Thiol-yne Systems 91 2.9.5 Epoxides 94 2.10 Visible Light-Curable and Visible Wavelength-Transparent Resin 95 2.11 Poly(ether ether ketone) 96 2.12 Lasers 97 2.13 Ultra-High MolecularWeight PE 97 2.14 Production of PP Polymer Powders 98 2.15 Acrylate-Based Compositions 99 2.15.1 Dimensionally Stable Acrylic Alloys 99 2.15.2 Oligoester Acrylates 100 2.16 Standards 101 2.16.1 Biomedical Applications 102 2.16.2 Color 102 2.17 Particle-Free Emulsions 103 2.18 Shape Memory Polymers 104 2.18.1 Synthesis with Stereolithography 105 2.18.2 Flexible Electronics 105 2.18.3 Magnetically Responsive Shape Memory Polymer 108 2.18.4 Sequential Self-Folding Structures 109 2.18.5 Multi-shape Active Composites 111 2.18.6 Radiation Sensitizers 112 2.18.7 Shape Memory Alloy Actuating Wire 112 2.18.8 Metal Electrode Fabrication 114 2.18.9 4D Printing 115 2.19 Water-Soluble Polymer 117 2.20 Water-Washable Resin Formulations 122 2.21 Extremely Viscous Materials 124 2.21.1 Tunable Ionic Control of Polymeric Films 124 2.22 Photopolymer Compositions 125 2.22.1 Mechanical Properties of UV Curable Materials 125 2.22.2 High-Performance Photopolymer with Low Volume Shrinkage 126 2.22.3 Dual InitiationWavelengths for 3D Printing 127 2.23 Crosslinked Polymers 129 2.24 Recycled Plastics 132 2.25 3D Printed Fiber Reinforced Portland Cement Paste 133 2.26 Polymer-Derived Ceramics 134 2.26.1 Photocurable Ceramic/Polymer Composites 135 2.26.2 Ceramic Matrix Composite Structures 137 2.26.3 Selective Laser Melting 145 2.26.4 Stereolithography Resin for Rapid Prototyping of Ceramics and Metals 146 References 147 3 Airplanes and Cars 159 3.1 Airplanes 160 3.1.1 Material Testing Standards 161 3.1.2 Lightweight Aircraft Components 161 3.1.3 Aircraft Spare Parts 161 3.1.4 Polymer Laser Sintering 162 3.1.5 Composites Part Production 163 3.1.6 DeployableWing Designs 163 3.1.7 Additive Manufacturing for Aerospace 164 3.1.8 Fiber Reinforced Polymeric Components 164 3.1.9 Manufacturing of Aircraft Parts 165 3.1.10 Multirotor Vehicles 166 3.1.11 Flame Retardant Aircraft Carpet 166 3.1.12 Aircraft Cabins 167 3.1.13 Additive Manufacturing of Solid Rocket Propellant Grains 167 3.1.14 High Temperature Heating System 167 3.1.15 Aerospace Propulsion Components 168 3.1.16 Antenna RF Boxes 169 3.1.17 Cyanate Ester Clay Nanocomposites 170 3.1.18 Bionic Lightweight Design 170 3.2 Cars 172 3.2.1 Laser Sintering 173 3.2.2 Automotive Repair Systems 174 3.2.3 Improving Aerodynamic Shapes 174 3.2.4 Common Automotive Applications 174 3.2.5 Thermomechanical Pulp Fibers 178 3.2.6 Polyamic Acid Salts 178 3.2.7 Recycled Tempered Glass from the Automotive Industry 179 References 180 4 Electric and Magnetic Uses 185 4.1 Electric Uses 185 4.1.1 Conductive Microstructures 185 4.1.2 Modular Supercapacitors 188 4.1.3 Active Electronic Materials 189 4.1.4 Piezoelectric Materials 192 4.1.5 Holographic Metasurface Antenna 195 4.1.6 Waveguide 195 4.1.7 Fuel Cell 196 4.1.8 Batteries 198 4.2 Magnetic Uses 203 4.2.1 Polymer-Based Permanent Magnets 203 4.2.2 Bonded Magnets 207 4.2.3 Strontium Ferrite 208 4.2.4 Soft-Magnetic Composite 208 4.2.5 Discontinuous Fiber Composites by 3D Magnetic Printing 209 References 211 5 Medical Applications 215 5.1 Basic Procedures 215 5.1.1 Image Acquisition 216 5.1.2 3D Printing 217 5.1.3 Microvalve-Based Bioprinting 219 5.2 3D Printed Organ Models for Surgical Applications 219 5.2.1 Organ Bioprinting 220 5.2.2 Materials 223 5.2.3 Liver 229 5.2.4 Heart 230 5.2.5 Cartilage 232 5.2.6 Bionic Ears 233 5.2.7 Skin 234 5.2.8 Scaffolds 235 5.2.9 Personalized Implants 238 5.2.10 Neural Tissue Models 238 5.3 Bioinks 241 5.3.1 Cytocompatible Bioink 243 5.3.2 Hydrogel Bioinks 246 5.3.3 Dentin-Derived Hydrogel Bioink 248 5.3.4 Decellularized Extracellular Matrix Materials 249 5.3.5 Silk-Based Bioink 251 5.3.6 Nanoengineered Ionic-Covalent Entanglement Bioinks 252 5.3.7 Living Skin Constructs 253 5.3.8 Cell-Laden Scaffolds 253 5.3.9 Patient-Specific Bioinks 255 5.4 Presurgical Simulation 256 5.5 Models with Integrated Soft Tactile Sensors 256 5.6 Dental Applications 256 5.6.1 Prosthetics 257 5.7 Fluidic Devices 259 5.8 3D Bioprinting of Tissues and Organs 259 5.8.1 3D Bioprinting Techniques 261 5.8.2 Pigmented Human Skin Constructs 262 5.8.3 Strategies for Tissue Engineering 263 5.8.4 Bone Tissue 264 5.8.5 Neuroregenerative Treatment 267 5.8.6 3D Tissues/Organs Combined with Microfluidics 267 5.8.7 3D Microfibrous Constructs 268 5.8.8 Biosynthetic Cellulose Implants 274 5.8.9 Polysaccharides 276 5.8.10 Corneal Transplants 277 5.8.11 Hydrogels from Collagen 278 5.8.12 Dissolved Cellulose 278 5.8.13 Hydrogels from Hyaluronic Acid and Methyl cellulose 279 5.8.14 Stem Cells 282 5.8.15 Autografts 283 5.8.16 Drug-Eluting Coronary Stents 284 5.9 Biomedical Devices 285 5.10 Soft Somatosensitive Actuators 286 References 287 6 Pharmaceutical Uses 303 6.1 Drug Release 303 6.1.1 Pharmaceutical 3D Printing 304 6.1.2 Pharmaceutically Acceptable Amorphous Polymers 304 6.1.3 Paracetamol Oral Tablets 305 6.1.4 Patient-Specific Liquid Capsules 306 6.1.5 Thermolabile Drugs 307 6.1.6 Composite Tablets 308 6.1.7 Transdermal Drug Delivery 309 6.1.8 Chip Platforms for Microarray 3D Bioprinting 309 References 314 Index 317 Acronyms 317 Chemicals 320 General Index 324

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Book SynopsisUnique state-of-the-art book on an important topic in renewable materials The purpose of this monograph is to provide a thorough outlook on the topic related to the synthesis and characterization of original macromolecular materials derived from plant oils, an important part of the broader steadily growing discipline of polymers from renewable resources. The interest in vegetable oils as sources of biodiesel and materials has witnessed a remarkable growth of scientific and industrial interest since the beginning of the third millennium responding to the pressing drive to implement sustainability in the energy and materials sectors. The book highlights the most relevant strategies being pursued to elaborate polymers derived from a variety of common oils, by direct activation or through chemical modifications yielding novel monomers. Because glycerol is the main byproduct of biodiesel production, it is treated here as the other logical source of macromolecular synTable of ContentsPreface to First Edition vii Preface to the Second Edition ix 1 Introduction 1 1.1 Setting the Stage 1 References 7 2 Basic Chemical Notions 9 2.1 Drying Mechanism 9 2.2 Reactive Sites 11 2.2.1 Reactions of the Ester Group 12 2.2.2 Reactions of Unsaturated Bonds 13 References 19 3 Polymerisation of Pristine Oils and their Fatty Acids 23 3.1 Polymerisation of Unsaturated Oils and Fatty Acids 23 3.2 Specific Case of Castor Oil 26 References 31 4 Monomers and Polymers from Chemically Modified Plant Oils and their Fatty Acids 33 4.1 Epoxidised Structures 33 4.1.1 Direct Polymerisation 33 4.1.2 Reactions with Amines and Anhydrides 36 4.1.3 Acrylation Reactions 39 4.2 Polyol Structures for Polyurethanes 43 4.3 Polyisocyanates for Polyurethanes 47 4.4 Polyether and Polyester Diols for Thermoplastic Polyurethanes 49 4.5 Diols and Diacids for Linear Polyesters 51 4.6 Monomers for Linear Polyamides and Polycarbonates 57 4.7 Vinyl, Acrylic and Other Monomers for Linear Chain-growth Polymerisation 59 4.8 Monomers for Other, Less Common Linear Polymers 64 4.9 Special Cases of Castor Oil and Ricinoleic Acid 64 4.10 Special Case of Glycerol 69 References 73 5 Metathesis Reactions Applied to Plant Oils and Polymers Derived from the Ensuing Products 83 5.1 General Considerations 83 5.2 Metathesis Reactions as Tools for the Synthesis of Monomers and Polymers Derived from Vegetable Oils 87 5.2.1 Metathesis Reactions for Monomer Synthesis 87 5.2.2 Olefin Metathesis Applied to Polymer Synthesis 92 5.2.2.1 Acyclic Diene Metathesis Polymerisation 92 5.2.2.2 Acyclic Triene Metathesis Polymerisation 97 5.2.2.3 Ring-opening Metathesis Polymerisation 98 5.2.2.4 Special Cases of Acetal Metathesis Polymerisation and Alternating Diene Metathesis Polymerisation 101 References 104 6 Thiol-ene and Thiol-yne Reactions for the Transformation of Oleochemicals into Monomers and Polymers 109 6.1 General Considerations 109 6.2 Thiol-ene Reaction as a Tool for the Synthesis of Monomers and Polymers Derived from Vegetable Oils 112 6.2.1 Thiol-ene Reactions for Monomer Synthesis 112 6.2.2 Thiol-ene Reactions Applied to Polymer Synthesis 120 6.2.3 Thiol-ene Reactions for Chemical Modifications after Polymerisation 125 6.3 Thiol-yne Reaction as a Tool for the Synthesis of Monomers and Polymers Derived from Vegetable Oils 127 6.4 Final Considerations 130 References 130 7 Diels–Alder Reactions and Polycondensations Applied to Vegetable Oils and their Derivatives 135 References 142

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Book SynopsisThis book is a comprehensive reference manual that contains essential information on thermoforming processing and technology. The field of thermoforming is experiencing rapid development driven by commercial factors; millions of tons of polymers are manufactured for use in various applications, both as commodity and specialty polymers. Building on the previous edition published about ten years ago, this edition includes new, as well as, fully revised chapters and updated information on materials and processes. The book is designed to provide practitioners with essential information on processing and technology in a concise manner. The book caters to both engineers and experts by providing introductory aspects, background information, and an overview of thermoforming processing and technology. The troubleshooting section includes flowcharts to assist in correcting thermoforming processes. >em>Thermoforming: Processing and Technology offers a complete account of t

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Book SynopsisThe book provides clear explanations for newcomers to the subject as well as contemporary details and theory for the experienced user in plastics waste management. It is seldom that a day goes by without another story or photo regarding the problem of plastics waste in the oceans or landfills. While important efforts are being made to clear up the waste, this book looks at the underlying causes and focuses on plastics waste management. Plastics manufacturers have been slow to recognize their environmental impact compared with more directly polluting industries. However, the environmental pressures concerning plastics have forced the industry to examine their own recycling operations and implement plastics waste management. Plastics Waste Managementrealizes two ideals: That all plastics should be able to persist for as long as plastics are required, and that all plastics are recycled in a uniform manner regardless of the length of time for which it persistTable of ContentsPreface xiii 1 Introduction 1 References 4 2 Plastics and Additives 7 2.1 Polymers 7 2.2 Plastics 8 2.3 Plastics Raw Material 9 2.4 Thermoplastics 9 2.4.1 Polyolefin 10 2.4.1.1 Polyethylene 11 2.4.1.2 Polypropylene 12 2.4.1.3 Polystyrene 14 2.4.1.4 Polyvinyl Chloride 14 2.4.2 Polyester 16 2.4.3 Polycarbonate 17 2.4.4 Polyamide 18 2.4.5 Biodegradable Plastics 18 2.5 Thermosets 19 2.5.1 Phenol-formaldehyde 20 2.5.2 Unsaturated Polyester 20 2.6 Additives 20 2.6.1 Antioxidants 22 2.6.2 Slip Additives 22 2.6.3 Ultraviolet Stabilizers 23 2.6.4 Heat Stabilizers 23 2.6.5 Plasticizers 24 2.6.6 Lubricants 25 2.6.7 Flame Retardants 25 2.6.8 Mold Release Agents 26 2.6.9 Nucleating Agents 28 2.6.10 Fillers 29 2.7 Plastics – Applications 29 2.8 Remarks 30 References 30 3 Plastics and Environment 37 3.1 Plastics and Conventional Materials – Comparison 37 3.2 Effects of Plastics Products and Environment 39 3.3 Landsite Effects 39 3.4 Chemical Environment 39 3.5 Marine Environment 40 3.6 Packaging Materials 42 3.7 Agricultural Fields 42 3.8 Waste Accumulation 43 3.9 Degradation of Plastics 43 3.9.1 Process Degradation 43 3.9.2 Environmental Degradation 45 3.10 Environmental Burdens 46 3.11 Industrial Ecosystem 47 3.12 Remarks 47 References 47 4 Plastics Processing Technology 53 4.1 Background 53 4.2 Management – Plastics Processing 54 4.3 Plastic Materials – Variations 55 4.4 Technology 56 4.4.1 Injection Molding 58 4.4.2 Blow Molding 60 4.4.3 Extrusion 62 4.4.4 Thermoforming 63 4.4.5 Rotational Molding 64 4.4.6 Compression Molding 66 4.5 Productivity and Task 67 4.6 Waste Processing 68 4.7 Reprocess Material in Plastics Processing 69 4.8 Challenges and Opportunities 70 4.9 Remarks 71 References 71 5 Plastics Waste – Consumer and Industry 73 5.1 Background 74 5.2 Plastics Waste 74 5.3 Polyolefin 75 5.4 Polypropylene 76 5.5 Polystyrene 76 5.6 Polyvinylchloride 76 5.7 Bioplastics 77 5.8 Additives and Environment 78 5.8.1 Heat Stabilizers 78 5.8.2 Plasticizers 78 5.8.3 Flame Retardants 79 5.8.4 Compatibilizers 79 5.9 Technological Aspects 80 5.10 Factors Influencing Plastics Waste 80 5.11 Waste Resources 81 5.11.1 Domestic Waste 81 5.11.2 Packaging Waste 82 5.11.3 E-Waste 83 5.11.4 Automotive Waste 84 5.11.5 Medical Plastics Waste 84 5.11.6 Agriculture Plastics Waste 85 5.11.7 Marine Plastics Waste 85 5.11.8 Mixed or Contaminated Plastics 86 5.12 Plastics Waste Reduction 86 5.13 Advantages of Waste Prevention 88 5.14 Waste Reduction and Performance 89 5.15 Recovery of Plastics 89 5.16 Remarks 90 References 91 6 Plastics Waste Management 97 6.1 Principles 97 6.2 Objective 98 6.3 Requirements 98 6.4 Management Concept 99 6.5 Waste Collection 99 6.6 Separation and Cleaning 100 6.7 Scientific Thinking 101 6.8 Outcome 101 6.9 Effective Management 101 6.10 Dynamic Thinking 102 6.11 Multi-Phase Approach 103 6.12 Significance 103 6.13 Progressive Management Characteristics 104 6.14 Risks in Plastics Waste Management 105 6.15 Factors – Affect, Suffer, and Influence 105 6.16 Operational Problems 106 6.17 Sustainability and Symbolic Management 106 6.18 Environmental Conservation 107 6.19 Decision-Making Process 107 6.20 Integrated Plastics Waste Management 108 6.21 Assignments 109 6.22 Advantages 110 6.23 Shortcomings 111 References 112 7 Recycling Technology 115 7.1 Man-Made Material – Plastics 116 7.2 Substantial Prerequisite 117 7.3 Philosophy 117 7.4 Purpose of Recycling Technology 118 7.5 Fortune of Plastics Material 119 7.6 Methods of Recycling 119 7.7 Plastics Waste – Stream 121 7.8 Mixed Plastics Waste – Separation 123 7.9 Origination of Plastics Waste 124 7.10 Problems of Recycling and Controls 125 7.10.1 Problems 125 7.10.2 Controls 126 7.11 Physical Characterization and Identification 126 7.12 Recycling – A Resource 127 7.13 Recycling Technology 128 7.14 Primary Recycling 129 7.14.1 Reprocessing Essentials 130 7.15 Mechanical Recycling 130 7.15.1 Limitations 132 7.15.2 Processing Problems 132 7.16 Chemical Recycling 133 7.17 Energy Recovery 136 7.18 Pyrolysis 136 7.19 Types of Reactors and Process Design 140 7.19.1 Batch and Semi-Batch Reactor 140 7.19.2 Fluidized Bed Reactor 141 7.19.3 Conical Spouted Bed Reactor 142 7.19.4 Two-Stage Pyrolysis System 142 7.19.5 Microwave-Assisted Pyrolysis (MAP) 143 7.19.6 Pyrolysis in Supercritical Water (SCW) 144 7.19.7 Fluid Catalytic Cracking 144 7.20 Thermal Co-Processing 145 7.20.1 Advantages 146 7.21 Gasification 146 7.22 Plastics Waste and Recycling 147 7.22.1 Polyolefin 147 7.22.2 Polyvinyl Chloride 148 7.22.3 Polyethylene Terephthalate 148 7.23 Environmental Burdens 150 7.23.1 Incineration – Open Air 150 7.23.2 Plastics Waste in Concrete 151 7.23.3 Plastics Waste in Tar for Road Laying 151 7.24 Plastics Waste as Blends and Composites 152 7.25 Remarks 153 References 153 8 Economy and Recycle Market 163 8.1 Economical Background 163 8.2 Growth Trajectory 164 8.3 Value of Plastics Waste 164 8.4 Economic Issues 165 8.5 Market Dynamics and Uncertainty 166 8.6 Fiscal Waste 167 8.7 Waste to Value 168 8.8 Industrial Ecology 169 8.9 Industrial Symbioses (ISs) 170 8.10 Economic Advantages 171 8.11 Economic Implications 171 8.12 Marketing Strategy 172 8.13 Modern Marketing Philosophy 173 8.14 Recycled Plastics Market 173 8.15 Industrial Marketing 175 8.16 Product Development and Marketing 176 8.17 Recycled Plastic Products and Consumer Market 177 8.18 Remarks 178 References 179 9 Life Cycle Assessment 183 9.1 LCA and Plastics Waste 183 Background 184 9.2 Life Cycle Assessment – A Tool to Assess Waste 185 9.3 Scientific Engineering 187 9.4 Purpose 187 9.5 Harmonization of LCA Method 188 9.6 Methodology 188 9.7 LCA Initiation 189 9.8 LCA in Plastics Waste 190 9.9 Advantages of LCA 191 9.10 Shortcomings of LCA 191 9.11 Environment Waste Auditing 192 9.12 Waste Prevention 193 9.13 Remarks 194 References 194 10 Case Studies 199 10.1 Waste Dump and Health Hazards 199 10.2 Utilization of Plastics Waste 200 10.2.1 Europe 201 10.2.2 India 201 10.2.3 Japan 202 10.2.4 France 203 10.2.5 Other Countries 204 10.3 Use of Case Studies 205 10.4 Property Value 206 10.5 Case Study 1: Plastics Waste from the Electric and Electronic Field 206 10.5.1 Concept 206 10.5.2 Objective 207 10.5.3 Methodology 207 10.5.4 Experimental Method 208 10.5.5 Results 210 10.5.6 Conclusion 210 10.6 Case Study 2: Plastics Waste from the Automobile Industry 210 10.6.1 Background 210 10.6.2 Design 211 10.6.3 Disposal and Recovery 211 10.6.3.1 Recycling of Bumpers 211 10.6.4 Inference 211 10.7 Pros and Cons 213 10.7.1 Positive Thinking 213 10.7.2 Negative Effects 213 10.8 Research and Case Study 214 10.9 Remarks 214 References 215 11 Present Trends 219 11.1 Economic Issues 219 11.2 Industry and Society 220 11.3 Landfilling 220 11.4 Effect of Single-Use Plastic Products 221 11.5 Effect on Food Packaging 221 11.6 Recycling Status 222 11.7 Present Research and Shortcomings 222 11.8 Population Growth and Waste 223 11.9 Remarks 224 References 224 12 Future Trends 227 12.1 Present Problems 227 12.2 Incineration in Open Air 228 12.3 Environmental Advantages 229 12.4 Plastics Waste – Challenge 229 12.5 Environmental and Social Problems – Prevention 230 12.6 Reasons – Waste Accumulation 231 12.7 Ecological Issues 232 12.8 Facts about Bioplastics 232 12.9 Future Requirements 233 12.10 Remarks 234 References 235 Index 237

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Book SynopsisRESERVOIR CHARACTERIZATION The second volume in the series, Sustainable Energy Engineering, written by some of the foremost authorities in the world on reservoir engineering, this groundbreaking new volume presents the most comprehensive and updated new processes, equipment, and practical applications in the field. Long thought of as not being sustainable, newly discovered sources of petroleum and newly developed methods for petroleum extraction have made it clear that not only can the petroleum industry march toward sustainability, but it can be made greener and more environmentally friendly. Sustainable energy engineering is where the technical, economic, and environmental aspects of energy production intersect and affect each other. This collection of papers covers the strategic and economic implications of methods used to characterize petroleum reservoirs. Born out of the journal by the same name, formerly published by Scrivener Publishing, most of the artiTable of ContentsForeword xix Preface xxiii Part 1: Introduction 1 1 Reservoir Characterization: Fundamental and Applications - An Overview 3 Fred Aminzadeh 1.1 Introduction to Reservoir Characterization? 3 1.2 Data Requirements for Reservoir Characterization 5 1.3 SURE Challenge 7 1.4 Reservoir Characterization in the Exploration, Development and Production Phases 10 1.4.1 Exploration Stage/Development Stage 10 1.4.2 Primary Production Stage 11 1.4.3 Secondary/Tertiary Production Stage 11 1.5 Dynamic Reservoir Characterization (DRC) 12 1.5.1 4D Seismic for DRC 13 1.5.2 Microseismic Data for DRC 14 1.6 More on Reservoir Characterization and Reservoir Modeling for Reservoir Simulation 15 1.6.1 Rock Physics 16 1.6.2 Reservoir Modeling 17 1.7 Conclusion 20 References 20 Part 2: General Reservoir Characterization and Anomaly Detection 23 2 A Comparison Between Estimated Shear Wave Velocity and Elastic Modulus by Empirical Equations and that of Laboratory Measurements at Reservoir Pressure Condition 25 Haleh Azizia, Hamid Reza Siahkoohi, Brian Evans, Nasser Keshavarz Farajkhah and Ezatollah KazemZadeh 2.1 Introduction 26 2.2 Methodology 28 2.1.2 Estimating the Shear Wave Velocity 28 2.2.2 Estimating Geomechanical Parameters 31 2.3 Laboratory Set Up and Measurements 32 2.3.1 Laboratory Data Collection 34 2.4 Results and Discussion 35 2.5 Conclusions 41 2.6 Acknowledgment 43 References 43 3 Anomaly Detection within Homogenous Geologic Area 47 Simon Katz, Fred Aminzadeh, George Chilingar and Leonid Khilyuk 3.1 Introduction 48 3.2 Anomaly Detection Methodology 49 3.3 Basic Anomaly Detection Classifiers 50 3.4 Prior and Posterior Characteristics of Anomaly Detection Performance 52 3.5 ROC Curve Analysis 55 3.6 Optimization of Aggregated AD Classifier Using Part of the Anomaly Identified by Universal Classifiers 58 3.7 Bootstrap Based Tests of Anomaly Type Hypothesis 61 3.8 Conclusion 64 References 65 4 Characterization of Carbonate Source-Derived Hydrocarbons Using Advanced Geochemical Technologies 69 Hossein Alimi 4.1 Introduction 70 4.2 Samples and Analyses Performed 71 4.3 Results and Discussions 72 4.4 Summary and Conclusions 79 References 80 5 Strategies in High-Data-Rate MWD Mud Pulse Telemetry 81 Yinao Su, Limin Sheng, Lin Li, Hailong Bian, Rong Shi, Xiaoying Zhuang and Wilson Chin 5.1 Summary 82 5.1.1 High Data Rates and Energy Sustainability 82 5.1.2 Introduction 83 5.1.3 MWD Telemetry Basics 85 5.1.4 New Telemetry Approach 87 5.2 New Technology Elements 88 5.2.1 Downhole Source and Signal Optimization 89 5.2.2 Surface Signal Processing and Noise Removal 92 5.2.3 Pressure, Torque and Erosion Computer Modeling 93 5.2.4 Wind Tunnel Analysis: Studying New Approaches 96 5.2.5 Example Test Results 108 5.3 Directional Wave Filtering 111 5.3.1 Background Remarks 111 5.3.2 Theory 112 5.3.3 Calculations 116 5.4 Conclusions 132 Acknowledgments 133 References 133 6 Detection of Geologic Anomalies with Monte Carlo Clustering Assemblies 135 Simon Katz, Fred Aminzadeh, George Chilingar, Leonid Khilyuk and Matin Lockpour 6.1 Introduction 135 6.2 Analysis of Inhomogeneity of the Training and Test Sets and Instability of Clustering 136 6.3 Formation of Multiple Randomized Test Sets and Construction of the Clustering Assemblies 138 6.4 Irregularity Index of Individual Clusters in the Cluster Set 139 6.5 Anomaly Indexes of Individual Records and Clustering Assemblies 141 6.6 Prior and Posterior True and False Discovery Rates for Anomalous and Regular Records 142 6.7 Estimates of Prior False Discovery Rates for Anomalous Cluster Sets, Clusters, and Individual Records. Permeability Dataset 142 6.8 Posterior Analysis of Efficiency of Anomaly Identification. High Permeability Anomaly 144 6.9 Identification of Records in the Gas Sand Dataset as Anomalous, using Brine Sand Dataset as Data with Regular Records 146 6.10 Notations 149 6.11 Conclusions 149 References 150 7 Dissimilarity Analysis of Petrophysical Parameters as Gas-Sand Predictors 151 Simon Katz, George Chilingar, Fred Aminzadeh and Leonid Khilyuk 7.1 Introduction 152 7.2 Petrophysical Parameters for Gas-Sand Identification 152 7.3 Lithologic and Fluid Content Dissimilarities of Values of Petrophysical Parameters 154 7.4 Parameter Ranking and Efficiency of Identification of Gas-Sands 155 7.5 ROC Curve Analysis with Cross Validation 159 7.6 Ranking Parameters According to AUC Values 161 7.7 Classification with Multidimensional Parameters as Gas Predictors 163 7.8 Conclusions 164 Definitions and Notations 166 References 166 8 Use of Type Curve for Analyzing Non-Newtonian Fluid Flow Tests Distorted by Wellbore Storage Effects 169 Fahd Siddiqui and Mohamed Y. Soliman 8.1 Introduction 170 8.2 Objective 173 8.3 Problem Analysis 173 8.3.1 Model Assumptions 174 8.3.2 Solution Without the Wellbore Storage Distortion 175 8.3.3 Wellbore Storage and Skin Effects 175 8.3.4 Solution by Mathematical Inspection 175 8.3.5 Solution Verification 176 8.4 Use of Finite Element 176 8.5 Analysis Methodology 177 8.5.1 Finding the n Value 177 8.5.2 Dimensionless Wellbore Storage 178 8.5.3 Use of Type Curves 178 8.5.4 Match Point 179 8.5.5 Uncertainty in Analysis 180 8.6 Test Data Examples 180 8.6.1 Match Point 182 8.6.2 Match Point 183 8.6.3 Analysis Recommendations 185 8.6.4 Match Point 185 8.6.5 Analysis Recommendations 186 8.6.6 Match point 186 8.7 Conclusion 188 Nomenclature 188 References 189 Appendix A: Non-Linear Boundary Condition and Laplace Transform 189 Appendix B: Type Curve Charts for Various Power Law Indices 191 Part 3: Reservoir Permeability Detection 195 9 Permeability Prediction Using Machine Learning, Exponential, Multiplicative, and Hybrid Models 197 Simon Katz, Fred Aminzadeh, George Chilingar and M. Lackpour 9.1 Introduction 197 9.2 Additive, Multiplicative, Exponential, and Hybrid Permeability Models 198 9.3 Combination of Basis Function Expansion and Exhaustive Search for Optimum Subset of Predictors 200 9.4 Outliers in the Forecasts Produced with Four Permeability Models 201 9.5 Additive, Multiplicative, and Exponential Committee Machines 203 9.6 Permeability Forecast with First Level Committee Machines. Sandstone Dataset 206 9.7 Permeability Prediction with First Level Committee Machines. Carbonate Reservoirs 210 9.8 Analysis of Accuracy of Outlier Replacement by The First and Second Level Committee Machines. Sandstone Dataset 212 9.9 Conclusion 214 Notations and Definitions 215 References 216 10 Geological and Geophysical Criteria for Identifying Zones of High Gas Permeability of Coals (Using the Example of Kuzbass CBM Deposits) 217 A.G. Pogosyan 10.1 Introduction 217 10.2 Physical Properties and External Load Conditions on a Coal Reservoir 219 10.3 Basis for Evaluating Physical and Mechanical Coalbed Properties in the Borehole Environment 225 10.4 Conclusions 228 Acknowledgement 228 References 229 11 Rock Permeability Forecasts Using Machine Learning and Monte Carlo Committee Machines 231 Simon Katz, Fred Aminzadeh, Wennan Long, George Chilingar and Matin Lackpour 11.1 Introduction 232 11.2 Monte Carlo Cross Validation and Monte Carlo Committee Machines 233 11.3 Performance of Extended MC Cross Validation and Construction MC Committee Machines 236 11.4 Parameters of Distribution of the Number of Individual Forecasts in Monte Carlo Cross Validation 237 11.5 Linear Regression Permeability Forecast with Empirical Permeability Models 238 11.6 Accuracy of the Forecasts with Machine Learning Methods 242 11.7 Analysis of Instability of the Forecast 244 11.8 Enhancement of Stability of the MC Committee Machines Forecast Via Increase of the Number of Individual Forecasts 246 11.9 Conclusions 247 Nomenclature 247 Appendix 1- Description of Permeability Models from Different Fields 248 Appendix 2- A Brief Overview of Modular Networks or Committee Machines 249 References 251 Part 4: Reserves Evaluation/Decision Making 253 12 The Gulf of Mexico Petroleum System – Foundation for Science-Based Decision Making 255 Corinne Disenhof, MacKenzie Mark-Moser and Kelly Rose Introduction 256 Basin Development and Geologic Overview 257 Petroleum System 259 Reservoir Geology 259 Hydrocarbons 261 Salt and Structure 262 Conclusions 263 Acknowledgments and Disclaimer 264 References 265 13 Forecast and Uncertainty Analysis of Production Decline Trends with Bootstrap and Monte Carlo Modeling 269 Simon Katz, George Chilingar and Leonid Khilyuk 13.1 Introduction 270 13.2 Simulated Decline Curves 271 13.3 Nonlinear Least Squares for Decline Curve Approximation 273 13.4 New Method of Grid Search for Approximation and Forecast of Decline Curves 273 13.5 Iterative Minimization of Least Squares with Multiple Approximating Models 275 13.6 Grid Search Followed by Iterative Minimization with Levenberg-Marquardt Algorithm 276 13.7 Two Methods for Aggregated Forecast and Analysis of Forecast Uncertainty 277 13.8 Uncertainty Quantile Ranges Obtained Using Monte Carlo and Bootstrap Methods 279 13.9 Monte Carlo Forecast and Analysis of Forecast Uncertainty 280 13.10 Block Bootstrap Forecast and Analysis of Forecast Uncertainty 284 13.11 Comparative Analysis of Results of Monte Carlo and Bootstrap Simulations 285 13.12 Conclusions 287 References 288 14 Oil and Gas Company Production, Reserves, and Valuation 289 Mark J. Kaiser 14.1 Introduction 290 14.2 Reserves 292 14.2.1 Proved Reserves 292 14.2.2 Proved Reserves Categories 292 14.2.3 Reserves Reporting 293 14.2.4 Probable and Possible Reserves 293 14.2.5 Contractual Differences 294 14.3 Production 294 14.4 Factors that Impact Company Value 295 14.4.1 Ownership 295 14.4.1.1 International Oil Companies 295 14.4.1.2 National Oil Companies 296 14.4.1.3 Government Sponsored Entities 296 14.4.1.4 Independents and Juniors 297 14.4.2 Degree of Integration 297 14.4.3 Product mix 298 14.4.4 Commodity Price 298 14.4.5 Production Cost 299 14.4.6 Finding Cost 299 14.4.7 Assets 300 14.4.8 Capital Structure 300 14.4.9 Geologic Diversification 301 14.4.10 Geographic Diversification 301 14.4.11 Unobservable Factors 302 14.5 Summary Statistics 303 14.5.1 Sample 303 14.5.2 Variables 303 14.5.3 Data Source 305 14.5.4 International Oil Companies 305 14.5.5 Independents 308 14.6 Market Capitalization 309 14.6.1 Functional Specification 309 14.6.2 Expectations 309 14.7 International Oil Companies 310 14.8 U.S. Independents 312 14.8.1 Large vs. Small Cap, Oil vs. Gas 312 14.8.2 Consolidated Small-Caps 314 14.8.3 Multinational vs. Domestic 314 14.8.4 Conventional vs. Unconventional 315 14.8.5 Production and Reserves 316 14.8.6 Regression Models 316 14.9 Private Companies 318 14.10 National Oil Companies of OPEC 320 14.11 Government Sponsored Enterprises and Other International Companies 320 14.12 Conclusions 323 References 324 Part 5: Unconventional Reservoirs 337 15 An Analytical Thermal-Model for Optimization of Gas-Drilling in Unconventional Tight-Sand Reservoirs 339 Boyun Guo, Gao Li and Jinze Song 15.1 Introduction 340 15.2 Mathematical Model 341 15.3 Model Comparison 346 15.4 Sensitivity Analysis 348 15.5 Model Applications 349 15.6 Conclusions 351 Nomenclature 352 Acknowledgements 353 References 353 Appendix A: Steady Heat Transfer Solution for Fluid Temperature in Counter-Current Flow 355 Assumptions 355 Governing Equation 355 Boundary Conditions 360 Solution 360 16 Development of an Analytical Model for Predicting the Fluid Temperature Profile in Drilling Gas Hydrates Reservoirs 363 Liqun Shan, Boyun Guo and Xiao Cai 16.1 Introduction 364 16.2 Mathematical Model 365 16.3 Case Study 373 16.4 Sensitivity Analysis 374 16.5 Conclusions 377 Acknowledgements 378 Nomenclature 378 References 379 17 Distinguishing Between Brine-Saturated and Gas-Saturated Shaly Formations with a Monte-Carlo Simulation of Seismic Velocities 383 Simon Katz, George Chilingar and Leonid Khilyuk 17.1 Introduction 384 17.2 Random Models for Seismic Velocities 385 17.3 Variability of Seismic Velocities Predicted by Random Models 387 17.4 The Separability of (Vp , Vs ) Clusters for Gas- and Brine-Saturated Formations 388 17.5 Reliability Analysis of Identifying Gas-Filled Formations 389 17.5.1 Classification with K-Nearest Neighbor 391 17.5.2 Classification with Recursive Partitioning 392 17.5.3 Classification with Linear Discriminant Analysis 394 17.5.4 Comparison of the Three Classification Techniques 395 17.6 Conclusions 396 References 397 18 Shale Mechanical Properties Influence Factors Overview and Experimental Investigation on Water Content Effects 399 Hui Li, Bitao Lai and Shuhua Lin 18.1 Introduction 400 18.2 Influence Factors 400 18.2.1 Effective Pressure 401 18.2.2 Porosity 402 18.2.3 Water Content 403 18.2.4 Salt Solutions 405 18.2.5 Total Organic Carbon (TOC) 406 18.2.6 Clay Content 407 18.2.7 Bedding Plane Orientation 408 18.2.8 Mineralogy 411 18.2.9 Anisotropy 413 18.2.10 Temperature 413 18.3 Experimental Investigation of Water Saturation Effects on Shale’s Mechanical Properties 414 18.3.1 Experiment Description 414 18.3.2 Results and Discussion 414 18.3.3 Error Analysis of Experiments 417 18.4 Conclusions 418 Acknowledgements 420 References 420 Part 6: Enhance Oil Recovery 427 19 A Numerical Investigation of Enhanced Oil Recovery Using Hydrophilic Nanofuids 429 Yin Feng, Liyuan Cao and Erxiu Shi 19.1 Introduction 430 19.2 Simulation Framework 432 19.2.1 Background 432 19.2.2 Two Essential Computational Components 433 19.2.2.1 Flow Model 433 19.2.2.2 Nanoparticle Transport and Retention Model 435 19.3 Coupling of Mathematical Models 437 19.4 Verification Cases 439 19.4.1 Effect of Time Steps on the Performance of the in House Simulator 439 19.4.2 Comparison with Eclipse 440 19.4.3 Comparison with Software MNM1D 442 19.5 Results 443 19.5.1 Continuous Injection 445 19.5.1.1 Effect of Injection Time on Oil Recovery and Nanoparticle Adsorption 445 19.5.1.2 Effect of Injection Rate on Oil Recovery and Nanoparticle Adsorption 447 19.5.2 Slug Injection 449 19.5.2.1 Effect of Injection Time on Oil Recovery and Nanoparticle Adsorption 449 19.5.2.2 Effect of Slug Size on Oil Recovery and Nanoparticle Adsorption 451 19.5.3 Water Postflush 452 19.5.3.1 Effect of Injection Time Length 452 19.5.3.2 Effect of Flow Rate Ratio Between Water and Nanofuids on Oil and Nanoparticle Recovery 452 19.5.4 3D Model Showcase 455 19.6 Discussions 457 19.7 Conclusions and Future Work 459 References 461 20 3D Seismic-Assisted CO2 -EOR Flow Simulation for the Tensleep Formation at Teapot Dome, USA 463 Payam Kavousi Ghahfarokhi, Thomas H. Wilson and Alan Lee Brown 20.1 Presentation Sequence 464 20.2 Introduction 464 20.3 Geological Background 468 20.4 Discrete Fracture Network (DFN) 469 20.5 Petrophysical Modeling 473 20.6 PVT Analysis 473 20.7 Streamline Analysis 479 20.8 Co2 -EOR 479 20.9 Conclusions 483 Acknowledgement 483 References 484 Part 7: New Advances in Reservoir Characterization-Machine Learning Applications 487 21 Application of Machine Learning in Reservoir Characterization 489 Fred Aminzadeh 21.1 Brief Introduction to Reservoir Characterization 489 21.2 Artificial Intelligence and Machine (Deep) Learning Review 491 21.2.1 Support Vector Machines 492 21.2.2 Clustering (Unsupervised Classification) 492 21.2.3 Ensemble Methods 497 21.2.4 Artificial Neural Networks (ANN)- Based Methods 498 21.3 Artificial Intelligence and Machine (Deep) Learning Applications to Reservoir Characterization 502 21.3.1 3D Structural Model Development 503 21.3.2 Sedimentary Modeling 506 21.3.3 3D Petrophysical Modeling 508 21.3.4 Dynamic Modeling and Simulations 512 21.4 Machine (Deep) Learning and Enhanced Oil Recovery (EOR) 513 21.4.1 ANNs for EOR Performance and Economics 514 21.4.2 ANNs for EOR Screening 516 21.5 Conclusion 517 Acknowledgement 518 References 518 Index 525

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Book SynopsisTable of ContentsPreface Introduction Chapter 1: Color Basics Chapter 2: Color Selection–Regulations Chapter 3: Color Selection–Stability Chapter 4: Color Selection–Color Esthetics Chapter 5: Color Selection–Economics Chapter 6: Pigment Dispersion Chapter 7: Color Measurement & Pigment Testing. Chapter 8: Surface Treated Pigments Chapter 9: Effect Pigments Chapter 10: Specialty Pigments Chapter 11: Natural Colorants Chapter 12: Some Slices of Life Bibliography of Ancillary Resources Appendix A: Pigment Test Methods. Appendix B: Treated Pigment Patents Author’s Biography Glossary of Terms Index

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Book SynopsisThis book familiarizes personnel serving as Emergency Managers, Safety Officers, Assistant Safety Officers, and in other safety-relevant Incident Command System (ICS) roles with physical and psychosocial hazards and stressors that may impact the health and safety of workers and responders in an All-Hazards Response, and ways to minimize exposure. This book provides knowledge on regulations and worker safety practices to the Safety Officer with an emergency responder background, and provides the tools for the Safety Officer with an industrial hygiene or safety professional background that help them be successful in this role. In order to work together effectively, it is important that anyone responding to an emergency be familiar with all standards and protocols.Table of ContentsForeword xiii Acronyms xvii 1 Safety in Emergencies and Disasters 1 1.1 Introduction 1 1.2 9/11 Response 2 1.3 Deepwater Horizon 4 1.4 Emergency Responders 9 1.5 Toxicology: How Do We Know What Causes Cancer or Other Health Effects? 14 1.6 Principles of Injury and Illness Prevention 21 1.7 Safety Management in Incident Response 26 1.8 Safety Officer Qualifications 30 1.9 Summary 34 References 35 2 Applicability of Safety Regulations in Emergency Response 39 2.1 The Occupational Safety and Health Act 39 2.2 State Plan States and Territories 41 2.3 Tribes 44 2.4 Safety Requirements in Fire Departments 45 2.5 Safety Requirements in Law Enforcement 47 2.6 Additional Federal Safety Regulations 49 2.7 Safety Expectations in the National Preparedness Goal and Supporting Frameworks 49 2.8 OSHA, ESF #8, and the Worker Safety and Health Support Annex 51 2.9 Safety in State Emergency Management Plans 56 2.10 Liability in Incident Response 60 2.11 Multiemployer Worksites 60 2.12 Summary 62 References 63 3 Types of Emergencies and Disasters, and Related Hazards 65 3.1 The All-Hazards Approach 65 3.2 Hazardous Materials Release or Spill 65 3.3 Severe Weather 75 3.3.1 Extreme Heat 75 3.3.2 Extreme Cold 76 3.3.3 Winter Storms 77 3.3.4 Thunderstorms 78 3.3.5 Hailstorms 78 3.4 Tropical Storms, Hurricanes, and Windstorms 79 3.5 Tornados 83 3.6 Floods 84 3.7 Landslides 88 3.8 Earthquakes 90 3.9 Volcanic Eruption 96 3.10 Tsunami 98 3.11 Fire 99 3.11.1 Chemical Exposures in Firefighting 100 3.11.2 Additional Hazards to Firefighters 107 3.11.3 Wildland Fires 108 3.12 Transportation Incidents 109 3.12.1 Aircraft Incidents 109 3.12.2 Rail Incidents 111 3.13 Pandemic 113 3.14 Radiological Incident 116 3.15 Terrorism Attack: Chemical or Biological Release 118 3.16 Summary 120 References 120 4 Regulatory Requirements and Their Applicability in Emergency Response 127 4.1 Hazard Communication 128 4.2 Personal Protective Equipment 129 4.3 Respiratory Protection 132 4.3.1 Respirator Selection 133 4.3.2 Medical Qualification for Respirator Wearers 136 4.3.3 Respirator Fit Testing 137 4.3.4 Respirator Care and Maintenance 138 4.3.5 Substance Specific Requirements 139 4.4 Blood-borne Pathogens 139 4.5 Fall Protection 143 4.6 Excavations 144 4.7 Confined Space 146 4.8 Hazardous Waste Operations and Emergency Response (HAZWOPER) 147 4.9 Noise exposures 148 4.10 Sanitation and Temporary Labor Camps 151 4.11 Operation of Heavy Equipment 154 4.12 General Duty Clause Citations 155 4.13 Heat 156 4.14 Traffic Control 160 4.15 Ergonomics 160 4.16 Fatigue 162 4.17 Food Safety 165 4.18 Summary 165 References 166 5 Safety Training for a Response 171 5.1 Respirators 172 5.2 PPE 173 5.3 Blood-borne Pathogens 174 5.4 Noise 176 5.5 Chemical Hazards (General) 177 5.6 Chemical-Specific Hazards 178 5.7 Asbestos 179 5.8 Lead 180 5.9 Silica 181 5.10 Hexavalent Chromium 181 5.11 Fall Protection 182 5.12 Material Handling Equipment 183 5.13 Heat Exposure 185 5.14 HAZWOPER 187 5.15 Fatigue 189 5.16 Distracted Driving 191 5.17 OSHA 10- and 30-Hour Training 191 5.18 OSHA Disaster Site Worker Outreach Training Program 193 5.19 Delivering Training 198 5.20 Learning Styles 199 5.21 Efficiency 200 5.22 Summary 201 References 201 6 Industrial Hygiene and Medical Monitoring 205 6.1 Exposure Evaluation and Respirator Selection 205 6.2 Respirator Medical Evaluation 206 6.3 Blood-borne Pathogens and Hepatitis B Vaccines 209 6.4 Medical Evaluations Following Needlestick Injuries and Other Blood-borne Pathogen Exposure Incidents 210 6.5 Hearing Tests and Audiograms 212 6.6 Lead 214 6.7 Silica 217 6.8 Asbestos 219 6.9 Hexavalent Chromium 220 6.10 Benzene 222 6.11 Cadmium 224 6.12 Other Substance-Specific Standards 227 6.13 First Aid and Emergency Medical Response 227 6.14 HAZWOPER 227 6.15 Diving 230 6.16 Ergonomics 232 6.17 Payment for Medical Exams 232 6.18 Logistics of Conducting Medical Surveillance 232 6.19 Recordkeeping 1910.1020 234 6.20 Summary 235 References 235 7 Psychological Hazards Related to Emergency Response 237 7.1 Neurophysiological Response to Fear and Stress 238 7.2 Acute Stress Disorder 239 7.3 Post-Traumatic Stress Disorder 240 7.4 Complex Post Traumatic Stress Disorder 241 7.5 Cumulative Traumatic Stress Exposures 242 7.6 Risk Factors for Developing PTSD 244 7.7 Compassion Fatigue and Secondary Traumatic Stress 245 7.8 Coping Mechanisms 246 7.9 The Impact of Preexisting Conditions 247 7.10 Stress, Trauma, and Decision-Making 248 7.11 Substance Abuse 250 7.12 First Responder Suicides 251 7.13 Prevention: Mental Health Wellness 253 7.14 The Role of Critical Incident Stress Debriefing (CISD) 255 7.15 Additional Treatment Options 258 7.16 Psychological First Aid 259 7.17 Mental Health First Aid 263 7.18 Responders in Their Own Community: Missing or Deceased Family Members 264 7.19 Stress Management Programs 265 7.20 Summary 266 References 266 8 Safety Officer Duties During an Incident Response 273 8.1 Initial Response and the Planning “P” 273 8.2 The Operations “O” 282 8.3 The Incident Action Plan (IAP) 282 8.4 Incident Objectives 285 8.5 Strategies 285 8.6 Tactics 288 8.7 Incident Safety Analysis 290 8.8 The Planning Meeting 300 8.9 Development of the Incident Action Plan (IAP) 301 8.10 ICS Form 208: Safety Message/Plan 309 8.11 Demobilization Planning 350 8.12 The Operations Briefing 351 8.13 New Operational Period Begins 352 8.14 Summary 355 References 356 9 Assistant Safety Officers, Technical Specialists, and Other Safety Support Roles 357 9.1 Assistant Safety Officer 358 9.2 Duties of Assistant Safety Officers 360 9.3 Technical Specialists 361 9.4 Industrial Hygienists 363 9.5 Toxicologist 365 9.6 Health Physicist 365 9.7 Safety Engineer 366 9.8 Competent Persons 367 9.9 Health and Safety Trainer 367 9.10 Respiratory Protection Program Administrator 367 9.11 Decontamination Specialist 369 9.12 Field Observer for Safety Officer 371 9.13 Occupational Medicine Specialist 371 9.14 Behavioral Health Specialist 372 9.15 Environmental Monitoring 373 9.16 Risk Assessor 374 9.17 Food Safety Specialist 375 9.18 Environmental Health/Sanitation Specialist 376 9.19 Safety Support for Temporary Support Facilities 376 9.20 Summary 377 References 377 10 Integrating Safety into Emergency Planning 379 10.1 The Emergency Planning and Community Right-to-Know Act 379 10.2 State Emergency Response Commissions (SERC) 380 10.3 Tribal Emergency Response Commissions (TERC) 381 10.4 Local Emergency Planning Committees (LEPCs) 381 10.5 Emergency Planning Under the National Response Framework 384 10.6 Community Emergency Response Teams 387 10.7 Emergency Planning Guidance from the United Nations 387 10.8 NFPA 1600 389 10.9 Regulated Industries 390 10.10 Process Safety Management–Emergency Response 390 10.11 HAZWOPER Emergency Planning Requirements 391 10.12 Airport Emergency Plans 392 10.13 Passenger Train Emergency Preparedness Plan (PTEPP) 395 10.14 Consolidation of Plans Written to Meet Differing Regulatory Requirements 399 10.15 Integrating Responder Safety Considerations into Emergency Plans 400 10.16 Participation as a Stakeholder to Incorporate Worker Safety into Emergency Plans 402 10.17 Summary 403 References 403 11 Safety in Drills and Exercises 405 11.1 Types of Exercises 406 11.2 Exercise Requirements for Airports 408 11.3 Exercise Requirements for Passenger Railroads 410 11.4 Exercising Emergency Plans Under OSHA’s Process Safety Management Standard and HAZWOPER 412 11.5 Oil Response Plan Training, Drill, and Exercise Requirements 414 11.6 Other Industries 415 11.7 National Exercise Program 416 11.8 Homeland Security Exercise and Evaluation Program (HSEEP) 419 11.9 Moving Toward a Common Approach to Exercises 427 11.10 Exercise Safety Plan 428 11.11 Summary 429 References 430 12 Safety in Continuity of Operations 433 12.1 National Essential Functions 433 12.2 Critical Infrastructure 434 12.3 Importance of Continuity 435 12.4 Essential Functions in Organizations 437 12.5 Risk Mitigation 439 12.6 Continuity Plans and the Employees That Carry Them Out 441 12.7 Continuity Safety Plans 443 12.8 Reasonable Accommodations During Continuity Operations 445 12.9 Medical Support for Employees During Continuity Operations 446 12.10 Information Technology Disaster Recovery Plans 447 12.11 Safety Program Essential Records 447 12.12 Pandemic Planning 448 12.13 Training, Testing, and Exercising Continuity of Operations Plans 452 12.14 Reconstitution and the New Normal 453 12.15 Summary 454 References 454 Index 457

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Book SynopsisExplores soil as a nexus for water, chemicals, and biologically coupled nutrient cycling Soil is a narrow but critically important zone on Earth's surface. It is the interface for water and carbon recycling from above and part of the cycling of sediment and rock from below. Hydrogeology, Chemical Weathering, and Soil Formation places chemical weathering and soil formation in its geological, climatological, biological and hydrological perspective. Volume highlights include: The evolution of soils over 3.25 billion yearsBasic processes contributing to soil formationHow chemical weathering and soil formation relate to water and energy fluxesThe role of pedogenesis in geomorphologyRelationships between climate soils and biotaSoils, aeolian deposits, and crusts as geologic dating toolsImpacts of land-use change on soils The American Geophysical Union promotes discovery in Earth and space science for the benefit of humanity. Its publications disseminate scientific knowledge and provideTable of ContentsList of Contributors ix Preface xi Part I: Soil Definition 1 1. Soil as a System: A HistoryRichard J. Huggett 3 Part II: Soil History 21 2. Soils, Chemical Weathering, and Climate Change in Earth HistorySteven G. Driese, Lee C. Nordt, and Gary E. Stinchcomb 23 Part III: Soil Formation Processes 67 3. Soil Formation, Vegetation Growth, and Water Balance: A Theory for BudykoAllen Hunt 69 4. Earthworms, Plants, and SoilsRenée-Claire Le Bayon, Géraldine Bullinger, Andreas Schomburg, Pascal Turberg, Philip Brunner, Rodolphe Schlaepfer, and Claire Guenat 81 5. Tephra for the Trees? Geochemical Constraints on Weathering and Tephra Inputs to Soils on New Zealand’s North IslandClaire E. Lukens and Kevin P. Norton 105 6. The Origin and Formation of Clay Minerals in Alpine SoilsMarkus Egli and Aldo Mirabella 121 Part IV: Application of Chemical Weathering/Soil Formation in Other Disciplines 139 7. Weathering Rinds as Tools for Constraining Reaction Kinetics and Duration of Weathering at the Clast-ScalePeter B. Sak 141 8. Unraveling Loess Records of Climate Change from the Chinese Loess Plateau Using Process-Based ModelsPeter A. Finke, Keerthika Nirmani Ranathunga Arachchige, Ann Verdoodt, Yanyan Yu, and Qiuzhen Yin 163 9. Relations Between Soil Development and LandslidesArnaud J.A.M. Temme 177 10A. Soils in Agricultural Engineering: Effect of Land-Use Management Systems on Mechanical Soil ProcessesRainer F. Horn 187 10B. Soil Strength and Carbon SequestrationRattan Lal 201 Part V: Integrated Studies of Soils 205 11. Chemical Weathering in the McMurdo Dry Valleys, AntarcticaW. Berry Lyons, Deborah L. Leslie, and Michael N. Gooseff 207 12. Carbon and Nutrient Fluxes Within Southeastern Piedmont Critical ZonesTodd C. Rasmussen, Maryam Foroughi, and Daniel Markewitz 217 13. Is This Steady State? Weathering and Critical Zone Architecture in Gordon Gulch, Colorado Front RangeSuzanne P. Anderson, Patrick J. Kelly, Noah Hoffman, Katherine Barnhart, Kevin Befus, and William Ouimet 231 14. Where Are We and Where Are We Going? Pedogenesis Through Chemical Weathering, Hydrologic Fluxes, and BioturbationAllen Hunt, Markus Egli, and Boris Faybishenko 253 Index 270

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