Chemistry Books

Book SynopsisPresents recent challenges related to new forms of pollution from industries and discusses adequate state-of-the-art technologies capable to remediate such forms of pollution. Over the past few decades the boom in the industrial sector has contributed to the release in the environment of pollutants that have no regulatory status and which may have significant impact on the health of humans and animals. These pollutants also referred to as emerging pollutants, are mostly aromatic compounds which derive from excretion of pharmaceutical, industrial effluents and municipal discharge. It is recurrent these days to find water treatment plants which no longer produce water that fits the purpose of domestic consumption based on newly established guidelines. This situation has prompted water authorities and researchers to develop tools for proper prediction and control of the dispersion of pollutants in the environment to ensure that appropriate measures are taken to prevent thTable of ContentsPreface xv Part 1: Occurrence of Emerging Pollutants in Water and Possible Risks 1 1 Geochemical Prediction of Metal Dispersion in Surface and Groundwater Systems 3Martin Mkandawire 2 From Priority Contaminants to Emerged Threat: Risk and Occurrence-Based Analysis for Better Water Management Strategies in Present and Future 41Hussein N. Nassar and Sherif A. Younis 3 Advances in Chromatographic Determination of Selected Anti-Retrovirals in Wastewater 105Gbolahan Olabode and Vernon Somerset 4 Liquid Extraction and Determination of Selected Organophosphorous Pesticides in Wastewater and Sediment Samples 129Vernon Somerset and Luleka Luzi-Thafeni Part 2: Nano and Bio-Based Technologies for Wastewater Treatment 147 5 Coal Power Plant Wastewater Treatment by Thermal and Membrane Technologies 149J.G. Redelinghuys, E. Fosso-Kankeu, G. Gericke and F. Waanders 6 PAHs Released From Coal Tars and Potential Removal Using Nanocatalysts 169N. Mukwevho, E. Fosso-Kankeu and F. Waanders 7 Green Synthesis of Nanoparticles for Water Treatment 205Nour Sh. El-Gendy and Basma A. Omran 8 Carbon Nanotubes in the 21st Century: An Advancement in Real Time Monitoring and Control of Environmental Water 265Sadanand Pandey, Gopal Krishna Goswami, Hussein Kehinde Okoro and Elvis Fosso-Kankeu 9 Sediment Microbial Fuel Cell for Wastewater Treatment: A New Approach 303Sajana T.K, Soumya Pandit, Dipak A. Jadhav, Md. Abdullah-Al-Mamun and Elvis Fosso-Kankeu 10 Design of a Down-Flow Expanded Granular Bed Reactor (DEGBR) for High Strength Wastewater Treatment 339M. Njoya, Y. Williams, Z. Rinquest, M. Basitere and S.K.O. Ntwampe 11 Phycoremediation: A Solar Driven Wastewater Purification System 373Namita Khanna, Akshayaa Sridhar, Ramachandran Subramanian, Soumya Pandit and Elvis Fosso-Kankeu 12 Technologies for Remediation of Emerging Contaminants in Wastewater Samples 429Charlton van der Horst and Vernon Somerset 13 Removal of Heavy Metal Pollutants from Wastewater Using Immobilized Enzyme Techniques: A Review 459Soumasree Chatterjee, Soumya Pandit and Elvis Fosso-Kankeu Index 481

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Book SynopsisHandbook of Heavy Oil Properties and Analysis Understand the future of oil production with this comprehensive guide Heavy oil, also known as viscous oil, is oil too viscous to flow normally from wells and reservoirs. In recent decades it has become increasingly important as a source of liquid oil for use in industrial processes. This places all the greater importance on proper analysis of heavy oil and its properties, so that it can be more effectively refined and deployed to meet ever-growing energy needs. Handbook of Heavy Oil Properties and Analysis provides a comprehensive introduction to the analysis of viscous oil and its properties. It discusses the full range of tests and analytical procedures by which the behavior and refinability of viscous oil samples can be predicted and connects theoretical knowledge to refinery practice throughout. Additionally, its incorporation of the latest environmental regulations makes it an invaluable resource. Readers will also find: Detailed coveTable of ContentsAbout the Author Preface xv 1 History and Terminology 1 1.1 Introduction 1 1.2 Historical Perspectives 8 1.2.1 Pre- Christian Era Use of Heavy Oil and Bitumen 8 1.2.2 Post- Christian Era Use of Heavy Oil and Bitumen 14 1.3 Definitions and Terminology 15 1.3.1 Nonviscous Feedstocks 17 1.3.1.1 Crude Oil 17 1.3.1.2 Opportunity Crude Oil 21 1.3.1.3 High- Acid Crude Oil 25 1.3.1.4 Foamy Oil 26 1.3.2 Viscous Feedstocks 27 1.3.2.1 Gas Oil 29 1.3.2.2 Heavy Crude Oil 30 1.3.2.3 Extra Heavy Crude Oil 33 1.3.2.4 Tar Sand Bitumen 36 1.3.2.5 Residuum 41 1.3.2.6 Asphalt 45 1.3.2.7 Tar and Pitch 49 1.3.2.8 Sludge 50 1.4 Classification 51 1.5 Feedstock Evaluation 53 1.6 Modern Analytical Perspectives 56 References 58 2 Sampling and Measurement 63 2.1 Introduction 63 2.2 Sampling 64 2.2.1 Sampling Protocol 70 2.2.1.1 Sampling Semi- volatile and Nonvolatile Compounds 71 2.2.1.2 Solids 75 2.2.1.3 Extract Concentration 77 2.2.1.4 Sample Cleanup 80 2.2.2 Representative Sample 80 2.2.3 Sampling Error 82 2.3 Measurement 82 2.4 Method Validation 85 2.4.1 Requirements 87 2.4.2 Method Detection Limit 87 2.4.3 Accuracy 88 2.4.4 Precision 89 2.5 Quality Control and Quality Assurance 90 2.5.1 Quality Control 90 2.5.2 Quality Assurance 92 2.6 Assay and Specifications 93 2.6.1 Assay 95 2.6.2 Specifications 99 2.6.3 Metallic Constituents 100 2.6.4 Water Content 101 2.7 Environmental Issues 102 References 104 3 Chemical Composition 109 3.1 Introduction 109 3.2 Elemental Composition 114 3.3 Chemical Composition 120 3.3.1 Hydrocarbon Constituents 122 3.3.1.1 Paraffin Hydrocarbon Derivatives 123 3.3.1.2 Cycloparaffin Hydrocarbon Derivatives 124 3.3.1.3 Aromatic Hydrocarbon Derivatives 124 3.3.1.4 Unsaturated Hydrocarbon Derivatives 124 3.3.2 Non- hydrocarbon Constituents 125 3.3.2.1 Sulfur Compounds 125 3.3.2.2 Nitrogen Compounds 126 3.3.2.3 Oxygen Compounds 126 3.3.3 Metallic Constituents 127 3.3.4 Porphyrins 128 3.4 Chemical Composition by Distillation 131 3.4.1 Vacuum Gas Oil 135 3.4.2 Vacuum Residua 136 3.5 Chemical Composition by Spectroscopy 137 3.5.1 Infrared Spectroscopy 138 3.5.2 Nuclear Magnetic Resonance Spectroscopy 138 3.5.3 Mass Spectrometry 139 3.5.4 Other Techniques 141 References 142 4 Fractional Composition 149 4.1 Introduction 149 4.2 Distillation 151 4.3 Solvent Treatment 152 4.3.1 Asphaltene Separation 156 4.3.1.1 Influence of Solvent Type 158 4.3.1.2 Influence of the Degree of Dilution 160 4.3.1.3 Influence of Temperature 160 4.3.1.4 Influence of Contact Time 161 4.3.2 Fractionation 161 4.3.3 Carbenes and Carboids 163 4.4 Adsorption 164 4.4.1 Chemical Factors 165 4.4.2 Fractionation Methods 166 4.4.2.1 General Methods 166 4.4.2.2 ASTM Methods 172 4.5 Chemical Methods 173 4.5.1 Acid Treatment 173 4.5.2 Molecular Complex Formation 174 4.5.2.1 Urea Adduction 174 4.5.2.2 Thiourea Adduction 176 4.5.2.3 Adduct Composition 176 4.5.2.4 Adduct Structure 176 4.5.2.5 Adduct Properties 178 4.6 The Asphaltene Fraction 179 4.7 Carbenes and Carboids 180 4.8 Use of the Data 182 References 185 5 Chemical Properties 191 5.1 Introduction 191 5.2 Acid Number 193 5.3 Elemental Analysis and Metals 197 5.4 Emulsion Formation 201 5.5 Evaporation 202 5.6 Flash Point and Fire Point 203 5.7 Functional Group Analysis 204 5.8 Halogenation 208 5.9 Hydrogenation 210 5.10 Oxidation 216 5.11 Thermal Methods 219 5.12 Miscellaneous Methods 222 References 223 6 Physical Properties, Electrical Properties, and Optical Properties 229 6.1 Introduction 229 6.2 Physical Properties 233 6.2.1 Adhesion 234 6.2.2 Density, Specific Gravity, and API Gravity 235 6.2.3 Surface and Interfacial Tension 238 6.2.4 Viscosity 239 6.3 Electrical Properties 243 6.3.1 Conductivity 243 6.3.2 Dielectric Constant 244 6.3.3 Dielectric Strength 244 6.3.4 Dielectric Loss and Power Factor 245 6.3.5 Static Electrification 246 6.4 Optical Properties 246 6.4.1 Optical Activity 248 6.4.2 Refractive Index 249 References 250 7 Thermal Properties 255 7.1 Introduction 255 7.2 Ash Production 256 7.3 Carbon Residue 258 7.4 Critical Properties 260 7.5 Enthalpy 262 7.6 Heat of Combustion 263 7.7 Latent Heat 264 7.8 Liquefaction and Solidification 265 7.9 Pour Point 267 7.10 Pressure–Volume–Temperature Relationships 267 7.11 Softening Point 269 7.12 Specific Heat 269 7.13 Thermal Conductivity 271 7.14 Volatility 272 References 278 8 Chromatographic Properties 283 8.1 Introduction 283 8.2 Adsorption Chromatography 286 8.3 Gas Chromatography 291 8.4 Gel Permeation Chromatography 298 8.5 High- Performance Liquid Chromatography 300 8.6 Ion Exchange Chromatography 303 8.7 Simulated Distillation 305 8.8 Supercritical Fluid Chromatography 307 8.9 Thin Layer Chromatography 309 References 311 9 Structural Group Analysis 317 9.1 Introduction 317 9.2 Physical Property Methods 320 9.2.1 Density Method 321 9.2.2 Density–Temperature Coefficient Method 321 9.2.3 Direct Method 322 9.2.4 Dispersion–Refraction Method 323 9.2.5 Molecular Weight- Refractive Index Method 324 9.2.6 n-d-M Method 325 9.2.7 Waterman Ring Analysis 325 9.2.8 Miscellaneous Methods 327 9.3 Spectroscopic Methods 328 9.3.1 Electron Spin Resonance 329 9.3.2 Infrared Spectroscopy 329 9.3.3 Mass Spectrometry 333 9.3.4 Nuclear Magnetic Resonance Spectroscopy 339 9.3.5 Ultraviolet Spectroscopy 345 9.3.6 X- ray Diffraction 345 9.4 Heteroatom Systems 347 9.4.1 Nitrogen 347 9.4.2 Oxygen 348 9.4.3 Sulfur 348 9.4.4 Metals 349 9.5 Miscellaneous Methods 349 References 350 10 Molecular Weight Determination 357 10.1 Introduction 357 10.2 Methods for Molecular Weight Measurement 360 10.2.1 Vapor Pressure Osmometry 361 10.2.2 Freezing Point Depression 365 10.2.3 Boiling Point Elevation 366 10.2.4 Size Exclusion Chromatography 367 10.2.5 Mass Spectrometry 369 10.2.6 Nuclear Magnetic Resonance Spectroscopy 370 10.3 Molecular Weights of Volatile Fractions 370 10.4 Molecular Weights of Nonvolatile Fractions 371 10.4.1 Resins 372 10.4.2 Asphaltenes 372 10.4.3 Carbenes and Carboids 378 References 379 11 Instability and Incompatibility 383 11.1 Introduction 383 11.2 Occurrence of Instability and Incompatibility 389 11.3 Factors Influencing Instability and Incompatibility 394 11.3.1 Acidity 395 11.3.2 Asphaltene Content 395 11.3.3 Density/Specific Gravity 398 11.3.4 Elemental Analysis 398 11.3.5 Metals Content 399 11.3.6 Pour Point 400 11.3.7 Viscosity 400 11.3.8 Volatility 400 11.3.9 Water Content, Salt Content, Bottom Sediment and Water (BS&W) 402 11.4 Determination of Instability and Incompatibility 403 References 406 12 Use of the Data 413 12.1 Introduction 413 12.2 Use of the Data 414 12.3 Process Analysis and Feedstock Mapping 416 12.3.1 Property Predictions 418 12.3.2 Predicting Separations 418 12.3.3 Process Predictability 419 12.4 Environmental Aspects of Processing 419 12.4.1 Gaseous Emissions 422 12.4.2 Liquid Effluents 428 12.4.3 Solid Effluents 430 12.5 Analytical Methods for Environmental Regulations 431 12.5.1 Definitions 432 12.5.2 Environmental Regulations 434 12.5.3 Environmental Analysis 435 References 437 Glossary 441 Conversion Factors 467 Index 469

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Book SynopsisThis book combines emulsion knowledge into a single, comprehensive volume, ideal for professionals and students involved in the areas of pharmaceutical science who are looking to learn about this emergent research concept. Compiles the step-by-step investigations made concerning the potential of nanosized emulsions on both drug delivery and drug targeting areas by different group of scientists in various laboratories across the world Inverts the common nano-emulsions coverage trend of focusing on focused on the particulate system itself, instead exploring the way to turn nanosized emulsions as biomedical tool, as well as, treating the in vitro and in vivo aspects after administration Provides an overview of the current state-of-the art regarding the development of tocol emulsions, emulsion adjuvants in immunization research, oxygen-carrying emulsions (called as fluorocarbon emulsion) and emulsions for delivering drugs to nasal and topical (ocular Table of ContentsList of Contributors ix Foreword xi Preface xiii 1. Introduction: An Overview of Nanosized Emulsions 1 2. Formulation Development of Oil-In-Water Nanosized Emulsions 19 3. Characterization and Safety Assessment F Oil-In-Water Nanosized Emulsions 69 4. Manufacturing and Positioning (Generations) of Oil-In-Water Nanosized Emulsions 169 5. Biofate of Nanosized Emulsions 225 6. Medical or Therapeutical Applications of Oil-In-Water Nanosized Emulsions 259 Part I: Overview of Tocol-Based Emulsions, Oxygen-Carrying Emulsions, Emulsions With Double or Triple Cargos and Emulsion-Like Dispersions 287 7. Overview of Tocol‐Based Emulsions, Oxygen‐Carrying Emulsions, Emulsions With Double or Triple Cargos and Emulsion‐Like Dispersions 289 7.1. Tocol-Based Nanosized Emulsions 291 7.2. Oxygen-Carrying Emulsions 301 7.3. Nanosized Emulsions For Multiple Medicament Loadings, Imaging, and Theranostic Purposes 321 7.4. Emulsion-Like Dispersions 347 Part II: Selected Case Studies 369 8. Selected Case Studies 371 8.1. Case Study 1 - Cationic Nanosized Emulsions: Narration of Commercial Success 373 8.2. Case Study 2 - Fish Oil-Based Nanosized Emulsions 389 Index 423

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Book SynopsisDrug Disposition and Pharmacokinetics The most up-to-date edition of a leading reference in drug disposition and pharmacokinetics In this new, fully-revised edition of Drug Disposition and Pharmacokinetics: Principles and Applications for Medicine, Toxicology and Biotechnology the authors deliver an authoritative and comprehensive discussion of the fate of drug molecules in the body, as well as its implications for pharmacological and clinical effects. The text offers a unique and balanced approach that combines discussion of the specific physical and biological factors affecting the absorption, distribution, metabolism, and excretion of drugs, with mathematical assessments of plasma and body fluid concentrations. The book assumes little prior knowledge and is an ideal reference for practicing professionals in industry as well as researchers and academics. This latest edition provides readers with a new introductory chapter, as well as new chapters coverinTable of ContentsPreface 1 Setting the Scene: Concepts, Nature of Drugs and Quality of Results 2 Drug Disposition and Fate 3 Pharmacokinetic Modelling 4 Pharmacokinetics of Metabolism and Excretion 5 Quantitative Pharmacological Relationships 6 Predictive Pharmacokinetics 7 Disposition of Peptides and Other Biological Molecules 8 Monoclonal Antibodies 9 Drug Metabolism and Pharmacokinetics in Veterinary Sciences 10 Factors Affecting Plasma Concentrations. Consideration of Special Populations. 11 Pharmacogenetics, Pharmacogenomics and Precision Medicine 12 Effects of Sex and Pregnancy on Drug Disposition and Pharmacokinetics 13 Developmental Pharmacology and Age-related Phenomena 14 Effects of Disease on Drug Disposition and Pharmacokinetics 15 Role of Stereochemistry in Drug Disposition and Pharmacokinetics 16 Drug Metabolism and Pharmacokinetics in Drug Interactions and Toxicity 17 Drug Monitoring in Therapeutics 18 From Antiquity to the Age of Artificial Intelligence: Reflections on the Past, Present and Future of Drug Disposition and Pharmacokinetics Index

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Book SynopsisThis book covers almost all of the diverse aspects of utilizing lignocellulosic biomass for valuable biorefinery product development of chemicals, alternative fuels and energy. The world has shifted towards sustainable development for the generation of energy and industrially valuable chemicals. Biorefinery plays an important role in the integration of conversion process with high-end equipment facilities for the generation of energy, fuels and chemicals. The book is divided into four parts. The first part, Basic Principles of Biorefinery, covers the concept of biorefinery, its application in industrial bioprocessing, the utilization of biomass for biorefinery application, and its future prospects and economic performance. The second part, Biorefinery for Production of Chemicals, covers the production of bioactive compounds, gallic acid, C4, C5, and C6 compounds, etc., from a variety of substrates. The third part, Biorefinery for Production of Alternative Fuel and Energy, covers Table of ContentsPreface xv Part 1: Biorefinery Basic Principles 1 1 Principles of Sustainable Biorefinery 3Samakshi Verma and Arindam Kuila 1.1 Introduction 3 1.2 Biorefinery 5 1.3 Conversion Technologies of Biorefineries 6 1.4 Some Outlooks Toward Biorefinery Technologies 7 1.5 Principles of Sustainable Biorefineries 9 1.6 Advantages of Biorefineries 10 1.7 Classification of Biorefineries 10 1.8 Conclusion 12 References 12 2 Sustainable Biorefinery Concept for Industrial Bioprocessing 15Mohd Asyraf Kassim, Tan Kean Meng, Noor Aziah Serri, Siti Baidurah Yusoff, Nur Artikah Muhammad Shahrin, Khok Yong Seng, Mohamad Hafizi Abu Bakar and Lee Chee Keong 2.1 Sustainable Industrial Bioprocess 15 2.2 Biorefinery 16 2.2.1 Starch Biorefinery 18 2.2.2 Lignocellulosic Biorefinery 19 2.3 Microalgal Biorefinery 22 2.3.1 Upstream Processing 23 2.3.2 Downstream Processing 24 2.3.2.1 Lipid-Extracted Microalgae 24 2.4 Value Added Products 27 2.4.1 Biofuel 27 2.4.1.1 Bioethanol 30 2.4.1.2 Biobutanol 31 2.4.1.3 Biodiesel 34 2.4.1.4 Short Alkane 36 2.4.2 Polyhydroxyalkanoates (PHA) 36 2.4.3 Bioactive Compounds From Food Waste Residues 39 2.5 Novel Immobilize Carrier From Biowaste 42 2.5.1 Waste Cassava Tuber Fiber 42 2.5.2 Corn Silk 43 2.5.3 Sweet Sorghum Bagasse 43 2.5.4 Coconut Shell Activated Carbon 44 2.5.5 Sugar Beet Pulp 44 2.5.6 Eggshells 45 2.6 Conclusion 45 References 46 3 Biomass Resources for Biorefinery Application 55Varsha Upadhayay, Ritika Joshi and Arindam Kuila 3.1 Introduction 55 3.2 Concept of Biorefinery 56 3.3 Biomass Feedstocks 57 3.3.1 Types of Biomass Feedstocks 57 3.3.1.1 Biomass of Sugar Industry 57 3.3.1.2 Biomass Waste 58 3.3.1.3 Sugar and Starch Biomass 59 3.3.1.4 Algal Biomass 59 3.3.1.5 Lignocelluloses Feedstock 59 3.3.1.6 Oil Crops for Biodiesel 60 3.4 Processes 60 3.4.1 Thermo Chemical Processes 62 3.4.2 Biochemical Processes 63 3.4.3 Biobased Products and the Biorefinery Concept 64 3.5 Conclusions 64 References 65 4 Evaluation of the Refinery Efficiency and Indicators for Sustainability and Economic Performance 67Rituparna Saha and Mainak Mukhopadhyay 4.1 Introduction 67 4.2 Biofuels and Biorefineries: Sustainability Development and Economic Performance 69 4.3 Future Developments Required for Building a Sustainable Biorefinery System 72 4.4 Conclusion 72 References 73 5 Biorefinery: A Future Key of Potential Energy 77Anirudha Paul, Sampad Ghosh, Saptarshi Konar and Anirban Ray 5.1 Introduction 77 5.2 Biorefinery: Definitions and Descriptions 78 5.3 Modus Operandi of Different Biorefineries 79 5.3.1 Thermochemical Processing 79 5.3.2 Mechanical Processing 79 5.3.3 Biochemical Processing 79 5.3.4 Chemical Processing 79 5.4 Types of Biorefineries 80 5.4.1 Lignocellulose Feedstock Biorefinery 80 5.4.2 Syngas Platform Biorefinery 81 5.4.3 Marine Biorefinery 81 5.4.4 Oleochemical Biorefinery 81 5.4.5 Green Biorefinery 81 5.4.6 Whole Crop Biorefinery 82 5.5 Some Biorefinery Industries 82 5.5.1 European Biorefinery Companies 82 5.5.2 Biorefinery Companies in USA 82 5.5.3 Biorefinery Companies in Asia 83 5.6 Conclusion and Future of Biorefinery 83 References 84 Part 2: Biorefinery for Production of Chemicals 89 6 Biorefinery for Innovative Production of Bioactive Compounds from Vegetable Biomass 91Massimo Lucarini, Alessandra Durazzo, Ginevra Lombardi-Boccia, Annalisa Romani, Gianni Sagratini, Noemi Bevilacqua, Francesca Ieri, Pamela Vignolini, Margherita Campo and Francesca Cecchini 6.1 Introduction 91 6.2 Waste From Grape and During Vinification: Bioactive Compounds and Innovative Production 92 6.2.1 Grape 92 6.2.2 Polyphenols 92 6.2.3 Antioxidant Activity and Health Properties of Grape 94 6.2.4 Winemaking Technologies 96 6.2.5 Winemaking By-Products 96 6.2.6 Extraction Technologies 97 6.3 Waste from Olive and During Oil Production: Bioactive Compounds and Innovative Process 99 6.3.1 Olive Oil Quality, its Components, and Beneficial Properties 100 6.3.2 Olive Oil By-Products 108 6.3.3 Olive Oil, Tradition, Biodiversity, Territory, and Sustainability 113 6.4 Bioactive Compounds in Legume Residues 115 6.4.1 Polyphenols 116 6.4.2 Phytosterols and Squalene 116 6.4.3 Dietary Fiber and Resistant Starch 117 6.4.4 Soyasaponins 117 6.4.5 Bioactive Peptides 118 References 120 7 Prospects of Bacterial Tannase Catalyzed Biotransformation of Agro and Industrial Tannin Waste to High Value Gallic Acid 129Sunny Dhiman and Gunjan Mukherjee 7.1 Introduction 129 7.2 Bacterial Tannase Producers 131 7.3 Bacterial Tannase Production 131 7.4 Hydrolyzable Tannins: A Substrate for Gallic Acid Production 133 7.5 Tannins as Waste 133 7.5.1 Agro-Waste 133 7.5.2 Industrial Waste 134 7.6 Bacterial Biotransformation of Tannins 134 7.7 Applications of Gallic Acid 136 7.7.1 Therapeutic Applications 136 7.7.2 Industrial Applications 137 7.8 Conclusions 138 References 138 8 Biorefinery Approach for Production of Industrially Important C4, C5, and C6 Chemicals 145Shritoma Sengupta and Aparna Sen 8.1 Introduction 145 8.2 Role of Biorefinery in Industrially Important Chemical Production 147 8.3 Production of C4 Chemicals 149 8.4 Production of C5 Chemicals 152 8.5 Production of C6 Chemicals 155 8.6 Concluding Remarks 157 References 158 9 Value-Added Products from Guava Waste by Biorefinery Approach 163Pranav D. Pathak, Sachin A. Mandavgane and Bhaskar D. Kulkarni 9.1 Introduction 163 9.2 Physicochemical Characterization 164 9.3 Valorization of GW 165 9.3.1 Medicinal Uses 165 9.3.1.1 GL, GB, and GF in Medicines 166 9.3.1.2 GP in Medicines 169 9.3.2 Extraction of Chemicals 171 9.3.2.1 Extraction from GL 171 9.3.2.2 Extraction from GP 176 9.3.2.3 Extraction from GS 176 9.3.3 Food Supplements 177 9.3.4 Extraction of Pectin 178 9.3.5 Animal Feed 178 9.3.6 As Insecticide 179 9.3.7 Synthesis of Nanomaterials 180 9.3.8 In Fermentations 180 9.3.9 As a Water Treatment Agent 181 9.3.10 Production of Enzymes 181 9.4 Sustainability of Value-Added Products From GW 181 9.5 Conclusion 189 References 189 10 Case-Studies Towards Sustainable Production of Value-Added Compounds in Agro-Industrial Wastes 197Massimo Lucarini, Alessandra Durazzo, Ginevra Lombardi-Boccia, Annalisa Romani, Gianni Sagratini, Noemi Bevilacqua, Francesca Ieri, Pamela Vignolini, Margherita Campo and Francesca Cecchini 10.1 Introduction 197 10.2 Experimental Pilot Plant 199 10.2.1 Chestnut 199 10.2.2 Soy 204 10.2.3 Olive Oil By-Products Case Studies 213 10.2.3.1 Olive Oil Wastewater 213 10.2.3.2 Olea europaea L. leaves 214 References 216 11 Biorefining of Lignocellulosics for Production of Industrial Excipients of Varied Functionalities 221UpadrastaLakshmishri Roy, DebabrataBera, Sreemoyee Chakraborty and Ronit Saha 11.1 Introduction 221 11.2 Structure and Composition 222 11.3 Lignocellulosic Residues: A Bioreserve for Fermentable Sugars and Polyphenols 222 11.3.1 Biorefining of Lignocellulosic Residues 223 11.4 Pre-Treatment of Lignocellulosics 224 11.4.1 Physico-Chemical Process 224 11.4.1.1 Acid Refining 224 11.4.1.2 Alcohol Refining 225 11.4.1.3 Alkali Refining 225 11.4.2 Thermo-Physical Process 226 11.4.2.1 Steam Explosion Process 226 11.4.2.2 Supercritical and Subcritical Water Treatment 226 11.4.2.3 Hot-Compressed Water Treatment 227 11.4.3 Biological Process 227 11.4.3.1 Lignin Degrading Enzymes 227 11.4.3.2 Cellulose Degrading Enzymes 229 11.4.3.3 Hemicellulose Degrading Enzymes 229 11.4.4 Phenols as By-Products of Lignocellulosic Pre-Treatment Process 230 11.5 Methods of Extraction of Polyphenols From Lignocellulosic Biomass 231 11.5.1 Solvent Affiliated Extraction 231 11.5.2 Enzyme Affiliated Extraction 231 11.5.3 Advanced Technological Methods Adopted for Recovery of Phenolics: (Pulsed-Electric-Field Pre-Treatment) 232 11.5.4 Catalytic Microwave Pyrolysis 233 11.5.5 Multifaceted Applications of Phenolics 233 11.6 Conclusion 235 References 235 12 Bioactive Compounds Production from Vegetable Biomass: A Biorefinery Approach 241Shritoma Sengupta, Debalina Bhattacharya and Mainak Mukhopadhyay 12.1 Introduction 241 12.2 Production of Bioactive Compounds 243 12.3 Bioactive Compounds From Vegetable Biomass 246 12.4 Role of Biorefinery in Production of Bioactive Compounds 248 12.5 Concluding Remarks 252 References 253 Part 3: Biorefinery for Production of Alternative Fuel and Energy 259 13 Potential Raw Materials and Production Technologies for Biorefineries 261Shilpi Bansal, Lokesh Kumar Narnoliya and Ankit Sonthalia 13.1 Introduction 261 13.2 Bioresources 264 13.2.1 First-Generation Feedstock 264 13.2.2 Second-Generation Feedstock 264 13.2.3 Third-Generation Feedstock 270 13.3 Chemicals Produced from Biomass 270 13.3.1 Ethylene 270 13.3.2 Propylene 273 13.3.3 Propylene Glycol 273 13.3.4 Butadiene 274 13.3.5 2,3-Butanediol and 2-Butanone Methyl Ethyl Ketone (MEK) 274 13.3.6 Acrylic Acid 274 13.3.7 Aromatic Compounds 275 13.4 Production Technologies 275 13.4.1 Pre-Treatment 275 13.4.2 Hydrolysis 276 13.4.3 Fermentation 277 13.4.4 Pyrolysis 278 13.4.5 Gasification 278 13.4.6 Supercritical Water 279 13.4.7 Algae Biomass 280 13.5 Conclusion 280 References 281 14 Sustainable Production of Biofuels Through Synthetic Biology Approach 289Dulam Sandhya, Phanikanth Jogam, Lokesh Kumar Narnoliya, Archana Srivastava and Jyoti Singh Jadaun 14.1 Introduction 289 14.2 Types of Biofuel 291 14.2.1 First-Generation Biofuels (Conventional Biofuels) 291 14.2.1.1 Biogas 291 14.2.1.2 Biodiesel and Bioethanol 291 14.2.2 Second-Generation Biofuels 292 14.2.2.1 Cellulosic Ethanol 293 14.2.2.2 Biomethanol 293 14.2.2.3 Dimethylformamide 293 14.2.3 Third-Generation Biofuels 293 14.2.4 Fourth-Generation Biofuels 293 14.2.5 Advantages of Biofuels 294 14.2.6 Disadvantages of Biofuels 294 14.3 Sources of Biofuel 294 14.3.1 Bacterial Source 294 14.3.2 Algal Source 296 14.3.3 Fungal Source 296 14.3.4 Plant Source 297 14.3.4.1 Plant Materials Utilized for the Production of Biofuels 298 14.3.5 Animal Source 299 14.4 Possible Routes of Biofuel Production Through Synthetic Biology 299 14.4.1 Metabolic Engineering 299 14.4.2 Tissue Culture/Genetic Engineering 300 14.4.3 CRISPR-Cas 300 14.5 Synthetic Biology and Its Application for Biofuels Production 301 14.5.1 Case Study 1: Production of Isobutanol by Engineered Saccharomyces cerevisiae 301 14.5.2 Case Study 2: Generation of Biofuel From Ionic Liquid Pretreated Plant Biomass Using Engineered E. coli 302 14.5.3 Case Study 3: CRISPRi-Mediated Metabolic Pathway Modulation for Isopentenol Production in E. coli 302 14.6 Current Status of Biofuel 302 14.7 Future Aspects 303 14.8 Conclusion 304 References 304 15 Biorefinery Approach for Bioethanol Production 313Rituparna Saha, Debalina Bhattacharya and Mainak Mukhopadhyay 15.1 Introduction 313 15.2 Bioethanol 315 15.3 Classification of Biorefineries 315 15.3.1 Agricultural Biorefinery 316 15.3.2 Lignocellulosic Biorefinery 317 15.4 Types of Pre-Treatments 318 15.4.1 Physical Pre-Treatments 318 15.4.2 Chemical Pre-Treatments 319 15.4.3 Physico-Chemical Pre-Treatments 320 15.4.4 Biological Pre-Treatments 321 15.5 Enzymatic Hydrolysis of Biomass 323 15.6 Fermentation 324 15.7 Future Prospects for the Production of Bioethanol Through Biorefineries 325 15.8 Conclusion 326 References 326 16 Biorefinery Approach for Production of Biofuel From Algal Biomass 335Bhasati Uzir and Amrita Saha 16.1 Introduction 335 16.2 Algal Biomass: The Third-Generation Biofuel 336 16.2.1 Algae as a Raw Material for Biofuels Production 338 16.2.2 Algae as Best Feedstock for Biorefinery 339 16.3 Microalgal Biomass Cultivation/Production 340 16.3.1 Open Pond Production 341 16.3.2 Closed Bioreactors/Enclosed PBRs 341 16.3.3 Hybrid Systems 341 16.4 Strain Selection and Microalgae Genetic Engineering Method Strain Selection Process for Biorefining of Microalgae 342 16.5 Harvesting Methods 343 16.6 Cellular Disruption 343 16.7 Extraction 344 16.8 Conclusion 344 References 344 17 Biogas Production and Uses 347Anirudha Paul, Saptarshi Konar, Sampad Ghosh and Anirban Ray 17.1 Introduction 347 17.2 Potential Use of Biogas 348 17.2.1 Anarobic Digestion 348 17.2.2 Biogas from Energy Crops and Straw 349 17.2.3 Biogas from Fish Waste 349 17.2.4 Biogas from Food Waste 349 17.2.5 Biogas from Sewage Sludge 350 17.2.6 Biogas from Algae 350 17.2.7 Some Biogas Biorefinery 350 17.3 Pre-Treatment 350 17.3.1 Physical Pre-Treatment 350 17.3.2 Physiochemical Pre-Treatment 351 17.3.3 Chemical Pre-Treatment 351 17.3.4 Biological Pre-Treatment 351 17.4 Process and Technology 351 17.5 Biogas Purification and Upgradation 352 17.5.1 Removal of CO2 352 17.5.2 Removal of H2S 353 17.5.3 Removal of Water 353 17.6 Conclusion 353 References 353 18 Use of Different Enzymes in Biorefinery Systems 357A.N. Anoopkumar, Sharrel Rebello, Embalil Mathachan Aneesh, Raveendran Sindhu, Parameswaran Binod, Ashok Pandey and Edgard Gnansounou 18.1 Introduction 357 18.2 Perspectives of the Biorefinery Concept 360 18.3 Starch Degradation 361 18.4 Biodegradation and Modification of Lignocellulose and Hemicellulose 361 18.5 Conversion of Pectins 363 18.6 Microbial Fermentation and Biofuel and Biodiesel Aimed Biorefinery 363 18.7 Conclusion 365 Acknowledgement 365 References 365 Part 4: Conclusion 369 19 Wheat Straw Valorization: Material Balance and Biorefinery Approach 371Sachin A. Mandavgane and Bhaskar D. Kulkarni 19.1 Introduction 371 19.2 Wax Extraction Process 372 19.3 Combustion Process 373 19.4 Mass Balance for Combustion 375 19.5 Pyrolysis of Wheat Straw 376 19.6 Mass Balance of Pyrolysis 377 19.7 Separation of Valuable Chemicals From Bio-Oil 377 19.8 Production of Biodeisel From Wheat Straw 378 19.9 Conclusion 380 Acknowledgment 381 References 381 Index 383

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Book SynopsisPlastics & Sustainability clearly lays out the thorny and contentious issues that we encounter at the nexus of plastics and sustainability. The book serves as a practical guide for making sustainability decisions about how plastics are made and used, including current developments in the newest bio-based plastics. Designers, marketers, academics, and engineers will all find something of value in this balanced and thoughtful second edition. Increased public scrutiny of plastics materials and the plastics industry has led, paradoxically, to both a deeper understanding and growing confusion about polymers, their origins, their uses, their risks, and ultimately their disposal. The author makes objective comparisons among major polymer grades and bioplastics including their life cycle assessments and practical performance in commercial applications.Table of ContentsAcknowledgements xi Notes on the 2nd Edition xiii Preface xv 1 General Introduction 1 1.1 The Contradictions of Plastics 3 1.2 Plastics and the Consumer Lifestyle 4 1.3 Plastics Controversies 7 1.3.1 PVC and Phthalate Plasticizers 9 1.3.2 Plastic Shopping Bags 10 1.3.3 Health Effects of BPA (Bisphenol-A) 13 1.4 The Desire to be Green 15 1.4.1 Consumer Interest in Sustainability 15 1.4.2 Sustainability: Views and Counterviews 18 1.5 The Course of This Book 24 References 26 2 Plastic Life Cycles 29 2.1 Green Principles 30 2.2 Life Cycle Assessment (LCA) 34 2.2.1 Life Cycle Inventory (LCI) 36 2.2.2 LCA: Controversies and Limitations 37 2.2.3 LCA/LCI: Plastics-Related Examples 40 2.2.3.1 PET and HDPE 40 2.2.3.2 Bio/Fossil-Fuel Polymer Comparison 41 2.3 Plastic Lifetimes 42 2.3.1 The “Cradle”: Polymer Feedstocks and Production 42 2.3.1.1 Fossil-Fuel Feedstock Sources 43 2.3.1.2 Bio-Based Feedstock Sources 44 2.3.2 “Gate-to-Gate”: General Plastics Use-Life Impacts 46 2.3.3 The “Grave”: Disposal, Recycling, and Biodegradability 48 2.3.3.1 “Permanent” Disposal? 48 2.3.3.2 Biodegradable Plastics 49 2.3.3.3 Recycling 51 2.3.3.4 Limitations and Challenges 56 2.4 A Hierarchy of Plastics for Sustainability 62 References 63 3 Polymer Properties and Environmental Footprints 67 3.1 Background on Polymers and Plastics 68 3.1.1 Green Chemistry Principles 70 3.2 Common Commodity Thermoplastics 74 3.2.1 Polyethylene (PE) 74 3.2.1.1 Synthesis 74 3.2.1.2 Structure and Properties 77 3.2.1.3 End-of-Life 77 3.2.2 Polypropylene (PP) 79 3.2.2.1 Synthesis 79 3.2.2.2 Structure and Properties 80 3.2.2.3 End-of-Life 80 3.2.3 Polyvinyl Chloride (PVC, or “Vinyl”) 81 3.2.3.1 Synthesis 82 3.2.3.2 End-of-Life 85 3.2.4 Polystyrene (PS) 85 3.2.4.1 Synthesis 85 3.2.4.2 End-of-Life 86 3.2.5 Polyethylene Terephthalate (PET) and Related Polyesters 87 3.2.5.1 Synthesis 87 3.2.5.2 End-of-Life 89 3.3 Traditional Engineering Thermoplastics 90 3.3.1 Nylon or Polyamide (PA) 90 3.3.1.1 Synthesis 90 3.3.1.2 End-of-Life 91 3.3.2 Acrylonitrile-Butadiene-Styrene (ABS) 92 3.3.2.1 Synthesis 92 3.3.2.2 End-of-Life 93 3.3.3 Polycarbonate (PC) 93 3.3.3.1 Synthesis 93 3.3.3.2 End-of-Life 94 3.4 Traditional Thermosets and Conventional Composites 94 3.4.1 Unreinforced Thermosets 95 3.4.1.1 Synthesis 95 3.4.1.2 End-of-Life 96 3.4.2 Conventional Composites 97 3.4.2.1 Production 97 3.4.2.2 End-of-Life 97 3.5 Biopolymers: Polymers of Biological Origin 98 3.5.1 Polylactic Acid (PLA) 101 3.5.1.1 Synthesis 101 3.5.1.2 Structures and Properties 103 3.5.1.3 End-of-Life 104 3.5.2 Polyhydroxyalkanoates (PHAs): PHB and Related Copolymers 105 3.5.2.1 Synthesis 106 3.5.2.2 End-of-Life 107 3.5.3 Starch-Based Polymers 108 3.5.3.1 Synthesis 108 3.5.3.2 End-of-Life 108 3.5.4 Protein-Based Polymers 108 3.5.4.1 Synthesis 109 3.5.4.2 End-of-Life 109 3.5.5 Algae-Based Polymers 109 3.5.5.1 Synthesis 109 3.5.5.2 End-of-Life 110 3.5.6 Blends of Biopolymers 110 3.6 Additives and Fillers: Conventional and Bio-Based 111 3.6.1 Common Additives 111 3.6.2 Fillers 113 3.6.3 Fiber Reinforcement 114 3.6.3.1 Glass and Carbon Fiber 114 3.6.3.2 Natural Fiber Reinforcement 115 3.6.4 Nanocomposites 119 3.7 Concluding Summary 119 References 120 4 Applications: Demonstrations of Plastics Sustainability 127 4.1 Trends in Sustainable Plastics Applications 130 4.2 Sustainable Plastics Packaging 131 4.2.1 Plastic Bags and Containers 134 4.2.2 Bio-Based Plastic Packaging 136 4.2.3 “Greener” Foam Packaging 139 4.2.4 Key Points 140 4.3 Sustainable Plastics in Building and Construction 141 4.3.1 Recycled/Recyclable Construction Applications 143 4.3.2 Wood-Plastic Composites 144 4.3.3 Key Points 145 4.4 Automotive Plastics and Sustainability 146 4.4.1 Fuel-Saving Contributions of Plastics 146 4.4.2 Recycling and Automotive Plastics 147 4.4.3 Bioplastics in the Automotive Industry 149 4.4.4 Key Points 150 4.5 Specialized Applications and Plastics Sustainability 151 4.5.1 Electrical/Electronics Applications 151 4.5.2 Medical Plastics and Packaging 152 4.5.3 Agricultural Applications 154 4.6 Conclusions about Sustainable Plastics Applications 155 References 156 5 Design Guidelines for Sustainability 159 5.1 Green Design Principles 161 5.1.1 Minimize Material Content 163 5.1.2 Exploit a Material’s Full Value 164 5.1.3 Fulfill Durability Requirements 166 5.1.4 Minimize Non-Functional Features 168 5.1.5 Focus on Single-Material Designs 168 5.1.6 Incorporate Renewable Content 171 5.2 Consumer Preferences in Green Design 172 References 173 6 Sustainable Considerations in Material Selection 175 6.1 Examples: Plastics vs. Metals and Glass 178 6.2 High Volume Plastics Applications 180 6.2.1 Beverage Bottles: PET vs. rPET vs. Bio-PET 180 6.2.2 Thermoformed and Flexible Packaging 183 6.2.3 Housewares and Food Service Tableware 186 6.3 Bio-Based Plastic Selection 188 6.3.1 Bio-Based Resins: PLA, PHA, TPS, PE 188 6.3.2 Natural Fiber Plastics Reinforcement 193 6.3.3 Engineering (Bio)polymers 196 6.4 The Selection Process: A Visual Approach 198 References 202 7 Processing: Increasing Efficiency in the Use of Energy and Materials 205 7.1 Optimizing Resin Recycling 206 7.1.1 Reprocessing Scrap and Post-Industrial Material 206 7.1.2 Recycling Post-Consumer Plastic 208 7.1.2.1 The Recycled Resin Challenge 212 7.1.3 Advanced Recycling 213 7.1.3.1 Dissolution (“Advanced Physical Recycling”) 213 7.1.3.2 Depolymerization (“Chemical or Molecular Recycling”) 214 7.1.3.3 Gasification/Pyrolysis (“Chemical or Feedstock Recovery”) 215 7.2 Optimizing Plastics Processes for Sustainability 216 7.2.1 Optimizing Water Use 216 7.2.2 Optimizing Energy Consumption 218 7.2.2.1 Refurbishing Equipment for Energy Savings 219 7.2.3 Choosing New Machinery for Sustainability 221 7.2.4 Sourcing Options for “Green” Energy 222 References 223 8 Conclusion: Grey is the New Green 225 8.1 Trends Affecting Future Global Plastics Use 226 8.1.1 Consumer Needs and Market Growth 227 8.1.2 Fossil Fuel Availability and Price 229 8.1.3 Alternative Feedstock Trends 232 8.1.4 Industry Priorities for Sustainability 233 8.1.5 Plastic Bans and Controversies 235 8.1.5.1 Bag Bans 235 8.1.5.2 Post-Consumer Plastic Recycling 236 8.2 Future Progress in Promoting Plastics Sustainability 238 8.2.1 Improved Partnerships 238 8.2.1.1 Increasing Recycling Rates 239 8.2.1.2 Plastic Litter: Minimizing the Damage 240 8.2.1.3 Educating the Public about Plastics and Sustainability 241 8.2.1.4 Implementing Bio-Based Materials 245 8.2.1.5 Improving the Life-Cycle Impact of Plastics 246 8.2.1.6 Sustainability in the Product Development Process 246 8.2.1.7 Effective Government Regulation 248 8.2.2 New Sustainability-Enhancing Approaches 248 8.2.2.1 Energy-Efficient Transportation 249 8.2.2.2 Flexible Solar-Energy Systems 250 8.2.3 New Research & Development 251 References 252 Index 255

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Book SynopsisDescribes harmful elements and their bioremediation techniques for tannery waste, oil spills, wastewater, greenhouse gases, plastic and other wastes. Microenvironmental conditions in soil provide a natural niche for ultra-structures, microbes and microenvironments. The natural biodiversity of these microenvironments is being disturbed by industrialization and the proliferation of urban centers, and synthetic contaminants found in these micro-places are causing stress and instability in the biochemical systems of microbes. The development of new metabolic pathways from intrinsic metabolic cycles facilitate microbial degradation of diverse resistant synthetic compounds present in soil. These are a vital, competent and cost-effective substitute to conventional treatments. Highly developed techniques for bioremediation of these synthetic compounds are increasing and these techniques facilitate the development of a safe environment using renewable biomaterial for removal of toxic heavy mTable of ContentsPreface xvii Part 1: Soil Microenvironment and Biotransformation Mechanisms 1 1 Applications of Microorganisms in Agriculture for Nutrients Availability 3 Fehmida Fasim and Bushra Uziar 1.1 Introduction 3 1.1.1 Land and Soil Deterioration 4 1.1.2 Micro-Nutrients Lacks 4 1.2 Biofertilizers 4 1.3 Rhizosphere 5 1.4 Plant Growth Promoting Bacteria 5 1.4.1 Nitrogen Fixation 6 1.4.2 Phosphate Solubilization 8 1.5 Microbial Mechanisms of Phosphate Solubilization 9 1.5.1 Organic Phosphate 9 1.5.2 Organic Phosphate Solubilization 10 1.6 Bacterial and Fungi Coinoculation 11 1.7 Conclusion 11 References 12 2 Native Soil Bacteria: Potential Agent for Bioremediation 17 Ranjan Kumar Mohapatra, Haragobinda Srichandan, Snehasish Mishra and Pankaj Kumar Parhi 2.1 Introduction 17 2.2 Current Soil Pollution Scenario 19 2.2.1 Soil Pollution by Heavy Metals and Xenobiotic Compounds 19 2.2.2 Soil Pollution by Extensive Agricultural and Animal Husbandry Practices 20 2.2.3 Pollution Due to Emerging Pollutants (Wastes from Pharmaceutical and Personal-Care Products) 21 2.2.4 Soil Pollution by Pathogenic Microorganisms 22 2.2.5 Soil Pollution Due to Oil and Petroleum Hydrocarbons 23 2.2.6 Soil Pollution by the Nuclear and Radioactive Wastes 25 2.2.7 Soil Pollution by Military Activities and Warfare 26 2.3 Effects of Soil Pollution 26 2.3.1 Effects of Soil Pollution on Plants 26 2.3.2 Effects of Soil Pollution on Human Health 26 2.4 Diversity of Soil Bacteria from Contaminated Sites 27 2.5 Bioremediation of Toxic Pollutants 27 2.6 Bioremediation Mechanisms 27 2.7 Factors Affecting Bioremediation/Biosorption Process 29 2.8 Microbial Bioremediation Approaches 30 2.8.1 In Situ Bioremediation 30 2.8.2 Ex Situ Bioremediation 30 2.9 Conclusion and Future Prospective 30 Acknowledgements 30 References 31 3 Bacterial Mediated Remediation: A Strategy to Combat Pesticide Residues In Agricultural Soil 35 Atia Iqbal 3.1 Introduction 35 3.2 Effects of Pesticides 36 3.3 Pesticide Degradation 37 3.4 Bacterial Mediated Biodegradation of Various Pesticides 38 3.4.1 Organophosphate Pesticides Degrading Bacteria 38 3.4.2 Methyl Parathion Mineralizing Bacteria (MP) 39 3.4.3 Mesotrione Degrading Bacteria 39 3.4.4 Aromatic Hydrocarbons Biodegradation 39 3.4.5 Bispyribac Sodium (BS) Degrading Bacteria 40 3.4.6 Carbamates (CRBs) Degradation 40 3.4.7 Propanil Degradation 40 3.4.8 Atrazine Degradation 40 3.4.9 Phenanthrene Degradation 40 3.4.10 Imidacloprid Degradation 41 3.4.11 Endusulfan Degradation 41 3.4.12 DDT 42 3.5 Conclusion 42 References 49 4 Study of Plant Microbial Interaction in Formation of Cheese Production: A Vegan’s Delight 55 Sundaresan Bhavaniramya, Ramar Vanajothi, Selvaraju Vishnupriya and Dharmar Baskaran 4.1 Introduction 55 4.2 Cheese Concern – Vegan’s Delight 57 4.3 Microorganism Interaction Pattern 57 4.4 Types of Microorganism Involved in Cheese Production 57 4.5 Lactic Acid Role in Fermentation 59 4.6 Microorganism Involved in Lactic Acid Fermentation 59 4.7 Streptococcus 60 4.8 Propionibacterium 60 4.9 Leuconostoc 60 4.10 Microorganisms in Flavor Development 61 4.11 Flavor Production 63 4.12 Enzymes Interaction during Ripening of Cheese 63 4.13 Pathways Involved in Cheese Ripening 64 4.14 Microbes of Interest in Flavor Formation 66 4.15 Structure of Flavored Compound in Cheese 67 4.16 Plant-Based Cheese Analogues 67 4.17 Plant-Based Proteins 68 4.18 Aspartic Protease 69 4.19 Cysteine Protease 69 4.20 Plant-Based Milk Alternatives 69 4.21 Types of Vegan Cheese 70 4.22 Future Scope and Conclusion 71 Acknowledgment 71 References 71 5 Microbial Remediation of Pesticide Polluted Soils 75 César Quintela and Cristiano Varrone 5.1 Introduction 75 5.2 Types of Pesticides 77 5.3 Fate of Pesticides in the Environment 81 5.3.1 Factors Affecting Pesticide Fate 81 5.3.2 Pesticides Degradation 84 5.3.3 Pesticide Remediation 85 5.4 Screening for Pesticide Degrading Microorganisms 85 5.4.1 Case Study 86 5.5 Designing Pesticide Degrading Consortia 87 5.5.1 Case Study 88 5.6 Challenges to be Addressed and Future Perspectives 88 References 90 6 Eco-Friendly and Economical Method for Detoxification of Pesticides by Microbes 95 Anjani Kumar Upadhyay, Abhik Mojumdar, Vishakha Raina and Lopamudra Ray 6.1 Introduction 95 6.2 Classification of Pesticides 96 6.3 Fate of Pesticide in Soil 96 6.3.1 Transport of Pesticides in the Environment 96 6.3.2 Interaction of Pesticides with Soil 98 6.4 Microbial and Phytoremediation of Pesticides 99 6.4.1 Biodegradation and Bioremediation 99 6.4.2 Microbial Remediation of Pesticides 102 6.4.3 Phytoremediation of Pesticides 103 6.4.4 Strategies to Enhance the Efficiency of Bioremediation 103 6.4.5 Metabolic Aspects of Pesticides Bioremediation 105 6.5 Effects on Human and Environment 106 6.6 Advancement in Pesticide Bioremediation 107 6.7 Limitations of Bioremediation 107 6.8 Future Perspectives 108 Acknowledgement 108 References 108 Part 2: Synergistic Effects Between Substrates and Microbes 115 7 Bioleaching: A Bioremediation Process to Treat Hazardous Wastes 117 Haragobinda Srichandan, Ranjan K. Mohapatra, Pankaj K. Parhi and Snehasish Mishra 7.1 Introduction 117 7.2 Microbes in Bioleaching 118 7.2.1 Bacteria 118 7.2.2 Fungi 119 7.3 Acidophilic Bioleaching 119 7.3.1 Contact (Direct) Mechanism 119 7.3.2 Non-Contact (Indirect) Mechanism 120 7.4 Metal Removal Pathways 120 7.4.1 Thiosulphate Pathway 120 7.4.2 Polysulphide Pathway 121 7.5 Fungal Bioleaching 122 7.6 Various Hazardous Wastes 122 7.6.1 Electronic Wastes (E-Wastes) 123 7.6.2 Spent Petroleum Catalyst 123 7.6.3 Sludge 123 7.6.4 Slag 123 7.7 Applications of Bioleaching Approach to Various Hazardous Wastes 123 7.7.1 Bioleaching of Electronic Wastes 124 7.7.2 Bioleaching of Spent Catalyst 124 7.7.3 Bioleaching of Sludge (Containing Heavy or Toxic metals) 125 7.7.4 Bioleaching of Slag 125 7.8 Conclusion 126 Acknowledgements 126 References 126 8 Microbial Bioremediation of Azo Dyes in Textile Industry Effluent: A Review on Bioreactor-Based Studies 131 Shweta Agrawal, Devayani Tipre and Shailesh Dave 8.1 Introduction 131 8.2 Microorganism Involved in Dye Bioremediation 132 8.2.1 Bacterial Remediation of Dyes 132 8.2.2 Mycoremediation 135 8.2.3 Phycoremediation 135 8.2.4 Consortial (Co-Culture) Dye Bioremediation 135 8.3 Mechanism of Dye Biodegradation 139 8.3.1 Anaerobic Azo Dye Reduction 139 8.3.2 Aerobic Oxidation of Aromatic Amines 140 8.3.3 Combined Anaerobic-Aerobic Treatment of Azo Dyes 141 8.4 Reactor Design for Dye Bioremediation 141 8.4.1 Anaerobic Reactors 142 8.4.2 Aerobic Reactors 154 8.4.3 Combined (Integrated/Sequential) Bioreactor 157 8.4.4 Combinatorial Approaches 162 8.5 Limitations and Future Prospects 163 8.6 Conclusions 163 References 164 9 Antibiofilm Property of Biosurfactant Produced by Nesterenkonia sp. MCCB 225 Against Shrimp Pathogen, Vibrio harveyi 173 Gopalakrishnan Menon, Issac Sarojini Bright Singh, Prasannan Geetha Preena and Sumitra Datta 9.1 Introduction 173 9.2 Materials and Methods 174 9.2.1 Isolation, Screening and Identification of Bacteria 174 9.2.2 Biofilm Disruption Studies 175 9.3 Results and Discussion 175 9.3.1 Bacterial Identification 175 9.3.2 Biofilm Disruption Studies 175 9.4 Conclusion 178 Acknowledgements 178 References 178 10 Role of Cr (VI) Resistant Bacillus megaterium in Phytoremediation 181 Rabia Faryad Khan and Rida Batool 10.1 Introduction 181 10.2 Materials and Methods 183 10.2.1 Isolation and Characterization of Chromate Resistant Bacteria 183 10.2.2 Determination of MIC (Minimum Inhibitory Concentration) of Chromate 183 10.2.3 Ribo-Typing of Bacterial Isolate rCrI 183 10.2.4 Estimation of Chromate Reduction Potential 183 10.2.5 Antibiotic and Heavy Metal Resistance Profiling 183 10.2.6 Growth Curve Studies 184 10.2.7 Chromium Uptake Estimation 185 10.2.8 Statistical Analysis 185 10.3 Results 185 10.3.1 Isolation and Characterization of Cr(VI) Resistant Bacterial Isolates 185 10.3.2 Antibiotic and Heavy Metal Resistance Profiling 186 10.3.3 Estimation of Cr(VI) Reduction Potential 186 10.3.4 Ribo-Typing of Bacterial Isolate 186 10.3.5 Growth Curve Studies 186 10.3.6 Plant Microbe Interaction Studies Under Laboratory Conditions 187 10.3.7 Biochemical Parameters 188 10.3.8 Plant Microbe Interaction Studies Under Field Conditions 190 10.3.8.4 Number of Roots 190 10.3.9 Biochemical Parameters 190 10.4 Discussion 191 10.5 Conclusion 193 Acknowledgment 193 References 193 11 Conjugate Magnetic Nanoparticles and Microbial Remediation, a Genuine Technology to Remediate Radioactive Waste 197 Bushra Uzair, Anum Shaukat, Fehmida Fasim, Sadaf Maqbool 11.1 Introduction 197 11.2 Use of Magnetic Nanoparticles Conjugates 199 11.2.1 Potential Benefits 199 11.2.2 Synthesis and Application 200 11.2.3 Factors Affecting Sorption 200 11.2.4 Limitations 203 11.3 Microbial Communities 203 11.3.1 Fungi as Radio-Nuclides Remade 203 11.3.2 Immobilization of Radionuclide Through Enzymatic Reduction 204 11.3.3 Immobilization Through Non-Enzymatic Reduction 204 11.3.4 Bio-Sorption of Radio-Nuclides 205 11.3.5 Biostimulation 206 11.3.6 Genetically Modified Microbes 206 11.3.7 Constraints 207 11.4 Conclusion 207 References 208 Part 3: Polyhydroxyalakanoates: Resources, Demands and Sustainability 213 12 Microbial Degradation of Plastics: New Plastic Degraders, Mixed Cultures and Engineering Strategies 215 Samantha Jenkins, Alba Martínez i Quer, César Fonseca and Cristiano Varrone 12.1 Introduction 215 12.2 Plastics 216 12.2.1 Polyethylene Terephthalate (PET) 217 12.2.2 Low-Density Polyethylene (LDPE) 217 12.3 Plastic Disposal, Reuse and Recycling 218 12.4 Plastic Biodegradation 219 12.4.1 Plastic-Degrading Microorganisms and Enzymes 221 12.4.2 Biofilms and Plastic Biodegradation 224 12.4.3 Boosting Plastic Biodegradation by Physical and Chemical Processes 225 12.4.4 Pathway and Protein Engineering for Enhanced Plastic Biodegradation 226 12.4.5 Designing Plastic Degrading Consortia 229 12.5 Analytical Techniques to Study Plastic Degradation 230 12.6 Future Perspectives 232 References 233 13 Fatty acids as Novel Building-Blocks for Biomaterial Synthesis 239 Prasun Kumar 13.1 Introduction 239 13.2 Polyurethane (PUs) 241 13.3 Polyhydroxyalkanoates (PHAs) 243 13.4 Other Functional Attributes 246 13.4.1 Biosurfactants 246 13.4.2 Antibacterials and Biocontrol Agents 246 13.5 Future Perspectives 249 References 249 14 Polyhydroxyalkanoates: Resources, Demands and Sustainability 253 Binita Bhattacharyya, Himadri Tanaya Behera, Abhik Mojumdar, Vishakha Raina and Lopamudra Ray 14.1 Introduction 253 14.2 Polyhydroxyalkanoates 255 14.2.1 Properties of PHAs 258 14.2.2 Production of PHA 261 14.2.3 PHA Biosynthesis in Natural Isolates 261 14.2.4 Production of PHA by Digestion of Biological Wastes 262 14.2.5 PHA Production by Recombinant Bacteria 262 14..2.6 Production of PHA by Genetically Engineered Plants 264 14.2.7 PHA Production by Methylotrophs 264 14.2.8 PHA Production Using Waste Vegetable Oil by Pseudomonas sp. Strain DR2 264 14.2.9 Mass Production of PHA 265 14.3 Applications of PHA 266 14.4 Future Prospects 267 References 267 15 Polyhydroxyalkanoates Synthesis by Bacillus aryabhattai C48 Isolated from Cassava Dumpsites in South-Western, Nigeria 271 Fadipe Temitope O., Nazia Jamil and Lawal Adekunle K. 15.1 Introduction 271 15.2 Materials and Methods 272 15.2.1 Morphological, Biochemical and Molecular Characterisation 272 15.2.2 Detection of PHA Production 273 15.2.3 Evaluation of PHA Production 273 15.2.4 Extraction of PHA 273 15.2.5 Fourier Transform Infrared Spectroscopy of Extracted PHA 274 15.2.6 Amplification of PhaC and PhaR Genes of Bacillus aryabhattai C48 274 15.3 Results and Discussion 274 15.4 Conclusion 280 Acknowledgements 280 References 280 Part 4: Cellulose-Based Biomaterials: Benefits and Challenges 283 16 Cellulose Nanocrystals-Based Composites 285 Teboho Clement Mokhena, Maya Jacob John, Mokgaotsa Jonas Mochane, Asanda Mtibe, Teboho Simon Motsoeneng, Thabang Hendrica Mokhothu and Cyrus Alushavhiwi Tshifularo 16.1 Introduction 285 16.2 Classification of Polymers 286 16.3 Preparation of Cellulose Nanocrystals Composites 286 16.3.1 Solution Casting 287 16.3.2 Three Dimensional Printing (3D-Printing) 292 16.3.3 Electrospinning 294 16.3.4 Other Processing Techniques 294 16.4 Cellulose Nanocrystals Reinforced Biopolymers 294 16.4.1 Starch 294 16.4.2 Alginate 295 16.4.3 Chitosan 296 16.4.4 Cellulose 297 16.4.5 Other Biopolymers 298 16.5 Hybrids 298 16.6 Conclusion and Future Trends 300 Acknowledgements 300 References 300 17 Progress on Production of Cellulose from Bacteria 307 Tladi Gideon Mofokeng, Mokgaotsa Jonas Mochane, Vincent Ojijo, Suprakas Sinha Ray and Teboho Clement Mokhena 17.1 Introduction 307 17.2 Production of Microbial Cellulose (MC) 308 17.3 Applications of Microbial Cellulose (MC) 312 17.3.1 Skin Therapy and Wound Healing System 313 17.3.2 Scaffolds for Artificial Cornea 314 17.3.3 Cardiovascular Implants 315 Future Perspective 315 References 316 18 Recent Developments of Cellulose-Based Biomaterials 319 Asanda Mtibe, Teboho Clement Mokhena, Thabang Hendrica Mokhothu and Mokgaotsa Jonas Mochane 18.1 Introduction 319 18.2 Extraction of Cellulose Fibers 320 18.3 Nanocellulose 324 18.4 Surface Modification 327 18.4.1 Alkali Treatment (Mercerization) 327 18.4.2 Silane Treatment 328 18.4.3 Acetylation 328 18.5 Cellulose-Based Biomaterials 329 18.5.1 Cellulose-Based Biomaterials for Tissue Engineering 329 18.5.2 Cellulose-Based Biomaterials for Drug Delivery 331 18.5.3 Cellulose-Based Biomaterials for Wound Dressing 332 18.6 Summary and Future Prospect of Cellulose-Based Biomaterials 333 Reference 334 19 Insights of Bacterial Cellulose: Bio and Nano-Polymer Composites Towards Industrial Application 339 Vishnupriya Selvaraju, Bhavaniramya Sundaresan, Baskaran Dharmar 19.1 Introduction 339 19.1.1 Nanocellulose 340 19.2 Bacterial Cellulose 343 19.2.1 Bacterial Strains Producing Cellulose 343 19.2.2 Different Methods of Bacterial Cellulose Production 344 19.3 Nanocomposites 346 19.3.1 Bio-Nanocomposite-Based on CNF 346 19.3.2 Bio-Nanocomposite-Based on CNC 346 19.3.3 Bacterial Cellulose Nanocomposites 346 19.4 Methods of Synthesis of Bacterial Cellulose Composites 347 19.5 Combination of Bacterial Cellulose with Other Materials 349 19.5.1 Polymer 349 19.5.2 Metals and Solid Materials 350 19.6 Industrial Applications of Bacterial Cellulose Composites 350 19.6.1 Biomedical Applications 350 19.6.2 Food Application 351 19.6.3 Electrical Industry 351 19.7 Future Scope and Conclusion 352 Acknowledgement 352 References 352 20 Biodegradable Polymers Reinforced with Lignin and Lignocellulosic Materials 357 M.A. Sibeko, V.C. Agbakoba, T.C. Mokhena, P.S. Hlangothi 20.1 Introduction 357 20.2 Biodegradable Polymers 358 20.2.1 Natural Polymers 359 20.2.2 Biodegradable Polyesters 360 20.2.3 Biodegradation 362 20.3 Biodegradable Fillers 362 20.3.1 Plant Fibers as Biodegradable Fillers 363 20.3.2 Cellulose as Biodegradable Fillers 364 20.3.3 Lignin as Biodegradable Fillers 364 20.4 Properties of Different Biopolymers Reinforced with Lignin 365 20.4.1 Surface Morphology 365 20.4.2 Mechanical Properties 366 20.4.3 Thermal Properties 368 20.5 Applications of Bio-Nanocomposites 369 Concluding Remarks 369 Acknowledgements 370 References 370 21 Structure and Properties of Lignin-Based Biopolymers in Polymer Production 375 Teboho Simon Motsoeneng, Mokgaotsa Jonas Mochane, Teboho Clement Mokhena and Maya Jacob John 21.1 Introduction 375 21.2 An Insight on the Biopolymers 376 21.2.1 Natural Lignin Biopolymer 377 21.2.2 Drawbacks of Lignin Biopolymer 378 21.3 Extraction and Post-Treatment of Lignin Biomaterial 378 21.3.1 Extraction Methods and their Effect on the Recovery and Functionality 379 21.3.2 Modification of Lignin Functional Groups 381 21.3.3 Preparation of Lignin-Based Biopolymers Blends (LBBs) 383 21.4 Characterization Methods and Validation of Lignin-Biopolymers 386 21.4.1 Chemical Interaction Between Lignin and Synthetic Polymers 386 21.4.2 Morphology-Property Relationship of the LBB 387 21.5 Indispensability of LBB on the Chemical Release Control in the Environment 388 21.6 Conclusion and Future Remarks 388 References 389 Index 393

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Book SynopsisThe field of chemical engineering is undergoing a global renaissance, with new processes, equipment, and sources changing literally every day. It is a dynamic, important area of study and the basis for some of the most lucrative and integral fields of science. Introduction to Chemical Engineering offers a comprehensive overview of the concept, principles and applications of chemical engineering. It explains the distinct chemical engineering knowledge which gave rise to a general-purpose technology and broadest engineering field. The book serves as a conduit between college education and the real-world chemical engineering practice. It answers many questions students and young engineers often ask which include: How is what I studied in the classroom being applied in the industrial setting? What steps do I need to take to become a professional chemical engineer? What are the career diversities in chemical engineering and the engineering knowledge required? How is chemical enginTable of ContentsPreface xiii Foreword xv Acknowledgements xvii 1 Introduction 1 1.1 Definition of Chemical Engineering 1 1.1.2 Chemical Engineers 3 1.2 It is the Broadest Branch of Engineering 6 1.3 Chemical Engineering – a General Purpose Technology 7 1.4 Relationship Between Chemical Engineering and the Science of Chemistry 7 1.4.1 Chemical Engineers Take Chemistry Out of the Laboratory and Into the World 10 1.5 Historical Development of Chemical Engineering 12 1.5.1 Industrial Chemistry and Mechanical Engineering 13 1.5.2 Unit Operations 19 1.5.3 Chemical Engineering Science 22 1.5.4 Chemical Systems Engineering 23 1.6 Anatomy of a Chemical Engineering Plant 23 1.6.1 Overview 23 1.6.2 Process Units 25 1.6.3 Process Interconnecting Piping (Pumps, Piping & Valves) 27 1.6.4 Power/Electrical Unit 27 1.6.5 Process Laboratory 28 1.6.6 Process Control 29 1.6.7 Storage Tanks 31 1.6.8 Flare and Atmospheric Ventilation Unit 32 1.6.9 Workshop and Lay-down Area 34 1.6.10 Office Building and Others 34 1.6.11 Warehouse and Storage 35 1.6.12 Firefighting Unit 35 1.6.13 Water Generation Unit 36 1.6.14 Waste Treatment and Disposal Unit 36 2 Chemical Engineering Basic Education and Training 37 2.1 Introduction 37 2.2 Chemical Engineering Education Model 37 2.3 Objectives of Chemical Engineering Education 39 2.4 Academic Shift from Science to Engineering 40 2.5 Chemical Engineering Core Subjects and Applications 44 2.5.1 Chemical Reaction Engineering 44 2.5.1.1 Applications of Reaction Engineering 45 2.5.1.2 The Chemical Reactor 46 2.5.2 Thermodynamics for Chemical Engineers 49 2.5.2.1 Applications of Thermodynamics 50 2.5.3 Transport Phenomena (Transport Processes) 52 2.5.3.1 Applications of Transport Phenomenon 53 2.5.4 Separation Processes 55 2.5.4.1 Applications of Separation Processes 57 2.5.5 Process Dynamics and Control 60 2.5.5.1 Applications of Process Dynamics and Control 62 2.6 General Skills in Chemical Engineering Education 63 2.7 New Chemical Engineering Hire 63 2.7.1 Transitioning from the University to Professional Engineering Career 64 2.7.2 Job Assignment of a Trainee Chemical Engineer 65 2.7.3 Required On-the-Job Training and Skills 66 2.7.4 Expected Challenges for the New Chemical Engineer 68 2.7.5 Career Growth Path and Success Factors 70 2.8 Registration of Engineers 71 2.8.1 Institution of Chemical Engineers (IChemE) 72 2.8.1.1 IChemE Membership Grades 74 2.8.2 American Institution of Chemical Engineers (AIChE) 76 2.8.2.2 AIChE Membership Grades 77 3 Chemical Engineers’ Areas of Expertise 79 3.1 Introduction 79 3.2 Energy and Sustainability Segment 81 3.2.1 Petroleum Refining 82 3.2.2 Synthetic Liquid Fuels 84 3.2.2.1 Fuels from Biomaterials 84 3.2.2.2 Electricity Generation from Coal 86 3.2.3 Hydrogen Fuel 87 3.2.4 Solar and Wind Energy 88 3.2.5 Nuclear Energy 89 3.3 Food Segment 90 3.4 Biomedicine (BME)/Biotechnology/Bioengineering Segment 95 3.4.1 Biomedical or Tissue Engineering 95 3.4.2 Biotechnology-Based Chemicals 96 3.4.3 Pharmaceutical Engineering 97 3.4.4 Kidney Dialysis, Diabetes Treatment, and Drug Delivery Systems 98 3.5 Electronics Segment 99 3.6 Materials Segment 101 3.6.1 Biomaterials 103 3.6.2 Plastics Materials 103 3.6.3 Telecommunications Materials 104 3.6.4 Computer Chips Materials 105 3.6.5 New Researches 105 3.7 Space Program 106 3.8 The Environment Segment 108 3.8.1 Green Engineering 110 3.9 Summary of Industry Segments Served by Chemical Engineers 111 4 Career Diversities in Chemical Engineering 115 4.1 Introduction 115 4.2 Career Development Leading to Specialization 115 4.3 Chemical Engineering Job Titles/Options 118 4.3.1 Biochemical Engineer 118 4.3.2 Chemical and Process Engineers (Design Engineers) 119 4.3.3 Refinery Engineer 123 4.3.4 Chemical Development Engineer 124 4.3.5 Commissioning Engineer 126 4.3.6 Maintenance Engineer/Maintenance Planning Engineer/Process Maintenance Engineer 127 4.3.7 Process Control/Automation Engineer 129 4.3.8 Process Safety Engineer 131 4.3.9 Biomedical Engineer 134 4.3.10 Research & Development Engineer 136 4.3.11 Sales Engineer 138 4.3.12 Performance Control Engineer 139 4.3.13 Planning Engineer 140 4.3.14 Facilities Process/Plant Engineer 141 4.3.15 Pharmaceutical Engineer/Pharmaceutical Process Engineer 142 4.3.16 Site Engineer 144 4.3.17 Production Engineer 146 4.3.18 Pipeline Engineer 147 4.3.19 Petroleum (Production, Reservoir and Drilling) Engineer 149 4.3.20 Environment Engineer 151 4.3.21 Materials Engineer 152 4.3.22 Piping and Lay-out Engineer 153 4.3.23 Project Engineer 155 4.3.24 Cost Control/Cost Engineer 156 4.3.25 Contracts Engineer 158 4.3.26 Chemical Manufacturing Engineer 159 4.3.27 Quality Process Engineer/Quality Control Engineer 160 4.3.28 Others 162 4.4 Chemical Engineering Professional Critical Success Factors 163 5 Design and Chemical Engineering Practice 165 5.1 Introduction 165 5.2 Chemical Process and Plant Development Steps 166 5.2.1 General 166 5.2.2 Process and Technology Development 168 5.2.3 Engineering Design 177 5.2.3.1 General 177 5.2.3.2 Conceptual/Basic Engineering Design/Feasibility Study 178 5.2.3.3 Front-End Engineering Design (FEED) 185 5.2.3.4 Description of the Key Process Engineering Deliverables/Activities 187 5.2.3.5 Process Narrative/Description 197 5.2.3.6 PFD Review 198 5.2.3.7 Chemical Engineering Equipment Descriptions for PFD and P&IDs 204 5.2.3.8 Detailed Process and Engineering Design 208 5.3 Construction, Pre-Commissioning, Commissioning & Startup 217 5.4 Case Study of Chemical Engineering Equipment Design –Horizontal KOD Liquid-Vapor Separator 218 5.4.1 Introduction 218 5.4.2 Knock-Out Drum Separator Design 221 5.4.2.1 Scientific Principles Applied 221 5.4.2.2 Design Parameters 225 5.4.2.3 Design Data and Solution 228 5.4.2.4 Conclusion 241 5.5 Economic Study of a Chemical Engineering Process 241 5.6 Case History Related to the Development of a New Chemical Process 247 5.6.1 Conceptual and Front-End Engineering Design 247 5.6.2 Detailed Engineering Design and Construction 248 5.6.3 Pre-Commissioning and Commissioning 251 5.6.4 Plant Operation 252 6 Chemical Process Safety Engineering and Management 253 6.1 Introduction 253 6.2 Chemical Engineering Design for Process Safety 255 6.2.1 Selection of Inherently Safer Process Route 255 6.2.2 Process Design 256 6.2.3 Incorporating Process Safety into Process Equipment Design 259 6.2.4 Preventive and Protective Design Features 261 6.2.5 Safety Administrative or Procedural Control (Active Solutions) 264 6.3 Process Hazard Analysis Techniques 264 6.3.1 Hazard and Operability Study (HAZOP) 265 6.3.2 Process Safety Design Verification 273 6.4 Process Safety Management 274 7 Sustainability in Chemical Engineering Design 277 7.1 Introduction 277 7.2 Sustainability Model 279 7.2.1 Sustainable Raw Materials 282 7.2.2 Sustainable Manufacturing Process 283 7.2.3 Sustainable Consumption/Behavior 285 7.3 Sustainability in Chemical Engineering 286 7.4 Chemical Engineering Sustainability Design and Research Problems 290 7.4.1 Key Challenges 292 7.4.2 Technologies for Sustainability 292 8 Chemical Engineering Computer Software Tools and Applications 295 8.1 Introduction 295 8.2 Development of Chemical Engineering Computer Software 295 8.3 Process Engineering Design Software (HYSYS and PRO II) 297 8.3.1 HYSYS Process Engineering Design Software 297 8.3.2 PRO II Process Engineering Design Software 298 8.4 Statistical and Numerical Analysis Software 301 8.4.1 Engineering Computations Using Microsoft Excel 301 8.5 Computer Programming and Control Software (MATLAB and Visual Basic) 303 8.6 Computer-Aided Design & Drafting (Auto-CAD) 309 8.7 Piping and Equipment Design Software 311 8.8 Others 313 8.8.1 Presentation Software (Power Point) 313 9 Graduate Programs in Chemical Engineering 315 9.1 Introduction 315 9.1.1 Master’s Degrees 316 9.1.2 Doctoral-Level Degrees 317 9.2 Requirements for Graduate Program in Chemical Engineering 318 9.3 Options in Chemical Engineering Postgraduate Programs 319 9.3.1 Advanced Chemical Engineering with Biotechnology/Biochemical/Medical/(Bio) Engineering 320 9.3.2 Engineering Management in Chemical Engineering 321 9.3.3 Advanced Materials Engineering Option 322 9.3.4 Process Systems Engineering (PSE) Option 323 9.3.5 Chemical Process Engineering 325 9.3.6 Oil and Gas Engineering 325 9.3.7 Advanced Chemical Engineering with Polymer Engineering 326 9.3.8 Advanced Chemical Engineering with Structured Product Engineering (SPE) 327 9.3.9 Process Automation, Instrumentation and Control Option 328 9.3.10 Process and Equipment Design Option 329 9.3.11 Advanced Chemical Engineering with Information Technology and Management 329 9.3.12 Innovative and Sustainable Chemical Engineering 330 9.3.13 Catalysis, Kinetics & Reaction Engineering 330 9.4 Chemical Engineering Research Needs and Opportunities 330 References 337 Index 345

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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 ContentsCopper and Secondary Amine-Catalyzed Pyridine Synthesis from O-Acetyl Oximes and α,β-Unsaturated Aldehydes 1Wei Wen Tan, Bin Wu, Ye Wei, and Naohiko Yoshikai An Au/Zn-catalyzed Synthesis of N-Protected Indole via Annulation of N-Arylhydroxamic Acid and Alkyne 15Xinpeng Cheng, Yanzhao Wang, and Liming Zha Preparation of Fac-Tris(2-Phenylpyridinato) Iridium(III) 29Kip A. Teegardin and Jimmie D. Weaver Preparation of Cyclopent-2-enone Derivatives via the Aza-Piancatelli Rearrangement 46Meghan F. Nichol, Luis Limon, and Javier Read de Alaniz Catalytic, Metal-Free Oxidation of Primary Amines to Nitriles 60Kyle M. Lambert, Sherif A. Eldirany, James M. Bobbitt, and William F. Bailey Copper-Catalyzed Enantioselective Hydroamination of Alkenes 80Richard Y. Liu and Stephen L. Buchwald Preparation of 6H-Benzo[c]chromen-6-one 97Yang Wang, Yi Shi, and Vladimir Gevorgya Synthesis of N-Acyl Pyridinium-N-Aminides and Their Conversion to 4-Aminooxazoles via a Gold-Catalyzed Formal (3+2)-Dipolar Cycloaddition 112Matthew P. Ball-Jones and Paul W. Davies Preparation of Solid Organozinc Pivalates and Their Reaction in Pd-Catalyzed Cross-Couplings 127Mario Ellwart, Yi-Hung Chen, Carl Phillip Tüllmann, Vladimir Malakhov, and Paul Knochel Enantioselective Synthesis of (S)-Ethyl 2-((tert-butoxycarbonyl)((tertbutyldimethylsilyl) oxy)amino)-4 oxobutanoate 142Thibault J. Harmand, Claudia E. Murar, Hikaru Takano, and Jeffrey W. Bode Preparation of (S)-N-Boc-5-oxaproline 157Claudia E. Murar, Thibault J. Harmand, Hikaru Takano, and Jeffrey W. Bode Syntheses of Substituted 2-Cyano-benzothiazoles 177Hendryk Würfel and Dörthe Jakobi Preparation of N-(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ylidene) nitramide 192Emerson Teixeira da Silva, Adriana Marques Moraes, Adriele da Silva Araújo, and Marcus Vinícius Nora de Souza Preparation of Alkyl Boronic Esters Using Radical-Polar Crossover Reactions of Vinylboron Ate Complexes 205Marvin Kischkewitz and Armido Studer Preparation of (pin)B–B(dan) 218Hiroto Yoshida, Yuya Murashige, and Itaru Osaka Discussion Addendum for: Preparation of a Carbazole-Based Macrocycle Via Precipitation-Driven Alkyne Metathesis 231Christopher C. Pattillo, Morgan M. Cencer, and Jeffrey S. Moore Hydrodecyanation by a Sodium Hydride-Iodide Composite 240Guo Hao Chan, Derek Yiren Ong, and Shunsuke Chiba Indole-Catalyzed Bromolactonization: Preparation of Bromolactone in Lipophilic Media 256Zhihai Ke, Tao Chen, and Ying-Yeung Yeung Discussion Addendum for: Stereoselective Synthesis of 3-Arylacrylates by Copper-Catalyzed Syn Hydroarylation [(E)-Methyl 3-phenyloct-2-enoate] 267Yoshihiko Yamamoto Modified McFadyen-Stevens Reaction for a Versatile Synthesis of Aromatic Aldehydes 276Yuri Iwai and Jun Shimokawa Discussion Addendum for: Facile Syntheses of Aminocyclopropanes: N,N-Dibenzyl-N-(2-ethenylcyclopropyl)amine [(Benzenemethanamine, N-(2-ethenylcyclopropyl)-N-(phenylmethyl)) 289Armin de Meijere and Sergei I. Kozhushkov (R)-2,2,2-Trichloro-1-phenylethyl (methylsulfonyl)oxycarbamate 310Hélène Lebel, Henri Piras, and Johan Bartholoméüs Large Scale Synthesis of Enantiomerically Pure (S)-3-(4-Bromophenyl)- butanoic Acid 328J. Craig Ruble, H. George Vandeveer, and Antonio Navarro Preparation of Tributyl(iodomethyl)stannane 345Michael U. Luescher, Chalupat Jindakun, and Jeffrey W. Bode Stannylamine Protocol (SnAP) Reagents for the Synthesis of C–Substituted Morpholines from Aldehydes 357Michael U. Luescher, Chalupat Jindakun, and Jeffrey W. Bode Trimethylsilyldiazo[13C]methane: A Versatile 13C-Labelling Reagent 374Chris Nottingham and Guy C. Lloyd-Jones Stereoretentive Iron-catalyzed Cross-coupling of an Enol Tosylate with MeMgBr 403Takeshi Tsutsumi, Yuichiro Ashida, Hiroshi Nishikado, and Yoo Tanabe Synthesis of Methyl 2-Bromo-3-oxocyclopent-1-ene-1-carboxylate 425Rama Rao Tata and Michael Harmata Discussion Addendum for: Preparation of (S)-tert-ButylPHOX and (S)-2-Allyl-2-Methylcyclohexanone 439Alexander W. Sun and Brian M. Stoltz Synthesis of Acyl Derivatives of Cotarnine 455Laxmidhar Rout, Bibhuti Bhusan Parida, Ganngum Phaomei, Bertounesque Emmanuel, and Akhila Kumar Sahoo Carbonyl-Olefin Metathesis for the Synthesis of Cyclic Olefins 472Marc R. Becker, Katie A. Rykaczewski, Jacob R. Ludwig, and Corinna S. Schindler Hexafluoro-2-propanol-promoted Intramolecular Friedel-Crafts Acylation 486Rakesh H. Vekariya, Matthew C. Horton, and Jeffrey Aubé Discussion Addendum for: Preparation of the COP Catalysts: [(S)-COP-OAc]2, [(S)-COP-Cl]2, and (S)-COP-hfacac 500Jeffrey S. Cannon and Larry E. Overman

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Book SynopsisConversion of Water and CO2 to Fuels using Solar Energy Comprehensive Resource for Understanding the Emerging Solar Technologies for Hydrogen Generation via Water Splitting and Carbon-based Fuel Production via CO2 Recycling Fossil fuel burning is the primary source of carbon in the atmosphere. The realization that such burning can harm the life on our planet, has led to a surge in research activities that focus on the development of alternative strategies for energy conversion. Fuel generation using solar energy is one of the most promising approaches that has received widespread attention. The fuels produced using sunlight are commonly referred to as solar fuels. This book provides researchers interested in solar fuel generation a comprehensive understanding of the emerging solar technologies for hydrogen generation via water splitting and carbon-based fuel production via CO2 recycling. The book presents the fundamental sTable of ContentsList of Contributors xiii Preface xvii 1 Solar Fuel Generation: The Relevance and Approaches 1 Ingrid Rodriguez-Gutierrez, Flavio L. Souza, and Oomman K. Varghese 1.1 Introduction 1 1.2 The Nexus Between Fossil Fuels, Global Warming, and Climate Change 2 1.3 The Energy System Transformation 4 1.4 Solar Fuels 5 1.5 Solar Reduction of CO 2 forFuelProduction 6 1.6 Solar Water Splitting for H 2 Generation 7 1.7 Solar to Fuel Conversion Pathways 8 1.7.1 Bioconversion 8 1.7.2 Thermoconversion 9 1.7.3 Electroconversion 10 1.7.4 Photoconversion 12 1.8 Conclusion 13 References 13 Section 1 Solar Fuel Generation Processes: Science and Technology 19 2 Introduction to Photocatalytic/Photoelectrochemical Fuel Generation: Science and Technology Perspective 21 Ke Fan, Lei Wang, and Lianpeng Tong 2.1 Introduction 21 2.2 The Natural Photosynthetic Water Splitting and CO 2 Reduction 22 2.2.1 Oxygen-Evolving Complex (OEC) 22 2.2.2 Hydrogenase 23 2.2.3 Enzymes that Reduce CO 2 24 2.3 Artificial Systems for Solar-Driven Chemical Fuels Production 25 2.3.1 Bioinspired Synthetic Systems 25 2.3.1.1 Synthetic Molecular Catalysts 25 2.3.1.2 Application of Synthetic Model Compounds in PEC Cells 26 2.3.2 Bioinorganic Hybrid Systems 26 2.3.3 Photoelectrochemical Water Splitting and CO 2 Reduction 27 2.3.3.1 Some Basic Concepts of Semiconductors 27 2.3.3.2 Photoelectrochemical (PEC) Water Splitting 29 2.3.3.3 Configurations of PEC Cell for Water Splitting 33 2.3.3.4 A Few Semiconductors Extensively Studied for Water Splitting 34 2.3.3.5 Photoelectrochemical (PEC) CO 2 reduction 35 2.3.3.6 Particulate Photocatalytic Systems for Water Splitting/CO 2 Reduction 37 2.4 Challenges and Outlook 39 References 40 3 Solar Thermochemical Fuels 47 Christoph Falter Nomenclature 47 3.1 Thermodynamics 48 3.2 Solar Thermochemical Processes and Reactor Concepts 49 3.2.1 Thermolysis of H 2 O 49 3.2.2 H 2 /CO From H 2 O/CO 2 Using Thermochemical Cycles 50 3.3 Energy and Mass Balance 54 3.3.1 Thermochemical Reactor 54 3.3.2 Energy and Mass Balance of Solar Thermochemical Fuel Plant 55 3.3.3 Possibilities of Enhancing Plant Efficiency 57 3.4 Techno-Economic Analysis 58 3.4.1 System Description 59 3.4.2 Economic Model 59 3.4.3 Production Costs 60 3.4.4 Comparison with Other Alternative Fuel Pathways 62 3.5 Life-Cycle Analysis 63 3.5.1 Goal and Scope 63 3.5.2 Inventory Analysis 64 3.5.3 Impact Assessment 64 3.5.4 Interpretation 65 3.5.4.1 Scenario Analysis–CO 2 From Natural Gas Combustion 65 3.5.4.2 Scenario Analysis–Grid Electricity 65 3.5.4.3 Comparison with Published GWP Values of Other Fuel Pathways 66 3.6 Land and Water Demand 67 3.6.1 Water Footprint 67 3.6.2 Land Demand 69 3.7 Geographical Potential 71 3.7.1 Determination of Suitable Areas for Solar Thermochemical Fuel Production 71 3.7.2 Determination of Life-Cycle Production Costs 73 3.7.3 Production Cost 74 3.8 Conclusions 76 References 77 4 Principles, Operations, and Techno-Economics of Photovoltaic-Electrolysis and Photoelectrochemical Water Splitting Processes 83 Nicolas Gaillard 4.1 Introduction 83 4.2 The Solar-to-Hydrogen Conversion Process 85 4.2.1 Fundamental Concepts 85 4.2.2 Material and Device Considerations 86 4.3 PV-Electrolysis Water Splitting 88 4.3.1 The Photovoltaic Process 88 4.3.2 Fundamentals of Water Electrolysis 91 4.3.3 PV-E Operating Principles 93 4.3.4 Evolution of PV-E Systems and Current State-of-the-Art 94 4.3.4.1 PV-E Systems with Planar Photovoltaics 94 4.3.4.2 PV-E Systems with Concentrated Photovoltaics 96 4.4 Photoelectrochemical Water Splitting 97 4.4.1 Energetics of the Semiconductor/Liquid Junction 97 4.4.2 Charge Transfer Dynamics at the Semiconductor/Liquid Junction 99 4.4.3 Current–Potential Behavior of a Photoelectrode 100 4.4.4 Spontaneous Water Splitting with Multi-Junction PEC Devices 103 4.5 Techno-Economics of PV-E and PEC Water Splitting 107 4.5.1 Similarities and Differences Between PV-E and PEC Water Splitting Technologies 107 4.5.2 Independent Assessments of PEC Technologies 108 4.5.3 Independent Assessments of PV-E Technology 110 4.5.4 Comparative Assessments of PV-E and PEC Technologies 110 4.6 Conclusion and Outlook 111 Acknowledgments 112 References 113 5 A Brief History of Molecular Photosynthesis: The Quest for the Bridge Between Light and Chemistry 119 Liniquer A. Fontana, Vitor H. Rigolin, Catia Ornelas, and Jackson D. Megiatto Jr. 5.1 Introduction 119 5.2 Historical Context and Early Findings 119 5.3 The Beginning of the Modern Understanding of Photosynthesis 121 5.4 Molecular Photosynthesis: Human Ingenuity Enters the Game 123 5.4.1 Biomimetic Reaction Centers 123 5.4.2 Artificial Reaction Centers with Nonnatural Electron Donors and Acceptors 126 5.4.3 Supramolecular Assembly of Artificial Reaction Centers 128 5.4.4 Artificial Antenna 131 5.4.5 Photo-Regulation 132 5.4.6 Artificial Reaction Centers Thermodynamically Poised to Oxidize Water 134 5.5 Harvesting the Energy of Charge-Separated States for Solar Fuel Production 137 5.5.1 Solar-Sensitized Photoelectrochemical Cells 137 5.5.2 Artificial Leaf 138 5.6 Conclusions 139 References 139 6 The Competitive Kinetics of Solar-Driven CO 2 Reduction 143 Mark T. Spitler 6.1 Introduction 143 6.2 Photosynthetic Systems 144 6.2.1 General 144 6.2.2 PSII Coupling to the OEC 146 6.2.3 PSI Coupling to PSII and RuBisCO 148 6.2.4 LHC Coupling 149 6.2.5 Indirect Coupling to RuBisCo 149 6.2.6 Photostability 150 6.3 Water Oxidation 151 6.3.1 Molecular Water Oxidation 152 6.3.2 Dye-Sensitized Photoelectrosynthesis Cell (DSPEC) 154 6.3.3 Photoelectrochemical (PEC) Water Splitting 158 6.3.4 Particles 160 6.4 CO 2 Reduction 163 6.4.1 Recycling Applications 163 6.4.2 Metals as Catalysts 164 6.4.3 PV-Driven CO 2 Reduction 166 6.4.4 Solar Fuel Harvesting 167 6.4.5 Semiconductor Photoanode-Driven Reduction of CO 2 at Metals 167 6.4.6 Semiconductor Electrodes 167 6.4.7 Reduction of CO 2 at Semiconductor Surfaces 169 6.4.8 Molecular Catalysts 171 6.4.9 Particles for CO 2 Reduction 172 6.5 Conclusions 174 References 175 7 Utilizing the Band Diagram Framework to Interpret the Operation of Photoelectrochemical Cells 183 Kirk H. Bevan, Botong Miao, and Asif Iqbal 7.1 Semiconductor Concepts 183 7.2 Semiconductor–Liquid Junctions in the Dark 186 7.2.1 Charge Equilibration in the Dark 187 7.2.2 Semiconductor–Liquid Junctions Under Bias in the Dark 188 7.2.3 Biasing with Respect to Reference Electrodes 190 7.3 Illuminated Semiconductor–Liquid Junctions 190 7.3.1 Gartner’s Model 190 7.3.2 Peter’s Model 193 7.4 The Role of Numerical Modeling 194 7.4.1 Semiclassical Approach 194 7.4.2 Insights from Semiclassical Modeling 197 7.5 Outlook 200 References 200 Section 2 Materials for Solar Fuel Generation 203 8 Materials Used for Solar Thermal/Thermochemical Processes for CO 2 /H 2 O Dissociation/Conversion 205 Heng Pan, Youjun Lu, and Bingchan Hu 8.1 Introduction 205 8.2 Solar Thermolysis of H 2 OorCO 2 205 8.3 Redox Pairs for Two-Step Thermochemical Cycles 206 8.3.1 Volatile Redox Pairs 207 8.3.1.1 ZnO/Zn Pair 207 8.3.1.2 SnO 2 /SnO Pair 209 8.3.2 Nonvolatile Redox Pairs 209 8.3.2.1 Fe 3 O 4 /FeO Pair 209 8.3.2.2 CeO 2 /CeO 2−δ Pairs 210 8.3.2.3 CoFe 2 O 4 /FeAl 2 O 4 Pairs 211 8.3.2.4 Perovskites 211 8.3.3 Redox Pairs: New Discoveries 212 8.4 Materials for Sulfur–Iodine (S–I) Cycle 213 8.4.1 Corrosion-Resistant Materials 214 8.4.2 The Catalysts of HI Decomposition 214 8.4.3 The Catalysts for H 2 SO 4 Decomposition 217 8.5 Other Multi-Step Thermochemical Cycles 218 8.6 Catalysts for Solar Gasification and Reforming 220 8.6.1 Catalysts for Solar Gasification 220 8.6.2 Catalysts for Solar Reforming of Methane 220 8.6.3 Catalysts for Solar Reforming of Methanol 221 8.7 Summary and Outlook 222 Acknowledgment 222 Conflict of Interest 222 References 222 9 Electrocatalytic Reduction of CO 2 to Value-Added Chemicals and Fuels 233 Qian Sun, Kamran Dastafkan, and Chuan Zhao 9.1 Introduction 233 9.2 Fundamentals of CO 2 Electroreduction (CO 2 RR) 235 9.2.1 Reaction Mechanism of CO 2 RR 235 9.2.2 Electrochemical Cells 237 9.2.2.1 H-Cell 237 9.2.2.2 Flow Cell 240 9.2.2.3 Mea 241 9.2.2.4 High-Temperature Molten Salt Cell 242 9.2.2.5 Solid Oxide Cell 242 9.2.3 Electrolytes 243 9.3 Electrocatalysts for CO 2 RR 244 9.3.1 Metals 245 9.3.1.1 Noble Metals 245 9.3.1.2 Transition Metals 247 9.3.1.3 Oxide-Derived Metals 248 9.3.1.4 Metal Alloys 248 9.3.2 Metal Compounds 250 9.3.2.1 Metal Chalcogenides 250 9.3.2.2 Metal Oxides 252 9.3.2.3 Metal Nitrides 253 9.3.2.4 Metal Hydroxides 254 9.3.3 Single-Atom Catalysts 254 9.3.3.1 Noble Metal SACs 254 9.3.3.2 Transition Metal SACs 255 9.3.3.3 Other Metal SACs 256 9.3.4 Molecular Catalysts 257 9.3.4.1 Organometallic Complexes 257 9.3.4.2 MOF and COF Catalysts 258 9.3.4.3 Metal-Free and Polymerized Catalysts 259 9.4 In Situ Characterizations of Electrocatalysts for CO 2 RR 260 9.4.1 In Situ Raman 260 9.4.2 In Situ UV–vis Spectroscopy 262 9.4.3 In Situ FTIR Spectroscopy 262 9.4.4 Operando XAS 263 9.5 Summary and Perspectives 264 9.5.1 Challenges for CO 2 RR 265 9.5.2 Comparison with HER 265 9.5.3 Perspectives for CO 2 RR 265 References 269 10 Ceramic Materials for Photocatalytic/Photoelectrochemical Fuel Generation 285 Appu V. Raghu and Takashi Tachikawa 10.1 Introduction 285 10.2 Photocatalytic/Photoelectrochemical Fuel Generation 285 10.2.1 Photon Absorption 288 10.2.2 Requirements of Materials Useful as Photocatalysts 289 10.3 Metal Oxides as Photocatalysts 290 10.3.1 Doping and Surface Treatments 291 10.3.2 Long-Term Stability 292 10.3.3 Heterostructures 292 10.4 Other Ceramic Materials 295 10.4.1 Nitrides 295 10.4.2 Oxynitrides 296 10.4.3 Carbides 296 10.4.4 MXenes 297 10.5 Challenges 301 10.6 Conclusion 301 References 301 11 Gallium Nitride-Based Artificial Photosynthesis Integrated Devices for Solar Hydrogen Generation and Carbon Dioxide Reduction 309 Baowen Zhou, Peng Zhou, Wanjae Dong, and Zetian mi 11.1 Introduction 309 11.2 Merits of III-Nitride Nanostructures for Artificial Photosynthesis 310 11.3 Recent Advances in III-Nitrides for Artificial Photosynthesis 311 11.3.1 Solar Water Splitting 311 11.3.1.1 Photoelectrochemical Water Splitting 312 11.3.1.2 Photocatalytic Overall Water Splitting 316 11.3.2 Long-Term Stability Studies 322 11.4 GaN-Based APID for CO 2 Reduction 324 11.4.1 Photochemical CO 2 RR Toward CH 4 Production 324 11.4.2 Photochemical CO 2 RR Reduction Toward CH 3 OH Production 325 11.4.3 Photoelectrochemical CO 2 Reduction 326 11.4.3.1 Photoelectrochemical CO 2 RR Toward CO/H 2 Production 326 11.4.3.2 Photoelectrochemical CO 2 RR Toward HCOOH Production 327 11.4.3.3 Photoelectrochemical CO 2 RR Toward CH 4 Production 329 11.5 Gallium Nitride-Catalyzed Organic Transformations and N 2 Fixation 330 11.6 Summary and Prospects 332 Acknowledgment 333 Conflict of Interest 333 Additional Note 333 References 333 12 Low-Dimensional Materials for Direct Fuel Generation Assisted by Sunlight 341 Muhammad Shuaib Khan and Shaohua Shen 12.1 Introduction 341 12.2 Unique Properties of Low-Dimensional Materials 344 12.2.1 Electronic Properties 344 12.2.2 Surface Plasmon Resonance 344 12.2.2.1 Charge Transfer Mechanism 345 12.2.2.2 Local Electric Field 346 12.2.3 Crystal Facets, Kinks, and Edges 346 12.2.4 Large Surface Area and Abundant Surface-Active Sites 347 12.2.5 Heterostructure Construction 347 12.3 Applications of Low-Dimensional Materials 348 12.3.1 Water Splitting 348 12.3.1.1 0D Materials 350 12.3.1.2 1D Materials 352 12.3.1.3 2D Materials 354 12.3.1.4 Low-Dimensional Heterostructures 355 12.3.2 CO 2 Reduction 359 12.3.2.1 0D Materials 359 12.3.2.2 1D Materials 361 12.3.2.3 2D Materials 363 12.3.2.4 Low-Dimensional Heterostructures 365 12.4 Summary and Future Perspective 368 Acknowledgments 368 References 368 Index 377

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Book SynopsisMultiblock Data Fusion in Statistics and Machine Learning Explore the advantages and shortcomings of various forms of multiblock analysis, and the relationships between them, with this expert guide Arising out of fusion problems that exist in a variety of fields in the natural and life sciences, the methods available to fuse multiple data sets have expanded dramatically in recent years. Older methods, rooted in psychometrics and chemometrics, also exist. Multiblock Data Fusion in Statistics and Machine Learning: Applications in the Natural and Life Sciences is a detailed overview of all relevant multiblock data analysis methods for fusing multiple data sets. It focuses on methods based on components and latent variables, including both well-known and lesser-known methods with potential applications in different types of problems. Many of the included methods are illustrated by practical examples and are accompanied by a freely available R-package. TTable of ContentsForeword xiii Preface xv List of Figures xvii List of Tables xxxi Part I Introductory Concepts and Theory 1 1 Introduction 3 1.1 Scope of the Book 3 1.2 Potential Audience 4 1.3 Types of Data and Analyses 5 1.3.1 Supervised and Unsupervised Analyses 5 1.3.2 High-, Mid- and Low-level Fusion 5 1.3.3 Dimension Reduction 7 1.3.4 Indirect Versus Direct Data 8 1.3.5 Heterogeneous Fusion 8 1.4 Examples 8 1.4.1 Metabolomics 8 1.4.2 Genomics 11 1.4.3 Systems Biology 13 1.4.4 Chemistry 13 1.4.5 Sensory Science 15 1.5 Goals of Analyses 16 1.6 Some History 17 1.7 Fundamental Choices 17 1.8 Common and Distinct Components 19 1.9 Overview and Links 20 1.10 Notation and Terminology 21 1.11 Abbreviations 22 2 Basic Theory and Concepts 25 2.i General Introduction 25 2.1 Component Models 25 2.1.1 General Idea of Component Models 25 2.1.2 Principal Component Analysis 26 2.1.3 Sparse PCA 30 2.1.4 Principal Component Regression 31 2.1.5 Partial Least Squares 32 2.1.6 Sparse PLS 36 2.1.7 Principal Covariates Regression 37 2.1.8 Redundancy Analysis 38 2.1.9 Comparing PLS, PCovR and RDA 38 2.1.10 Generalised Canonical Correlation Analysis 38 2.1.11 Simultaneous Component Analysis 39 2.2 Properties of Data 39 2.2.1 Data Theory 39 2.2.2 Scale-types 42 2.3 Estimation Methods 44 2.3.1 Least-squares Estimation 44 2.3.2 Maximum-likelihood Estimation 45 2.3.3 Eigenvalue Decomposition-based Methods 47 2.3.4 Covariance or Correlation-based Estimation Methods 47 2.3.5 Sequential Versus Simultaneous Methods 48 2.3.6 Homogeneous Versus Heterogeneous Fusion 50 2.4 Within- and Between-block Variation 52 2.4.1 Definition and Example 52 2.4.2 MAXBET Solution 54 2.4.3 MAXNEAR Solution 54 2.4.4 PLS2 Solution 55 2.4.5 CCA Solution 55 2.4.6 Comparing the Solutions 56 2.4.7 PLS, RDA and CCA Revisited 56 2.5 Framework for Common and Distinct Components 60 2.6 Preprocessing 63 2.7 Validation 64 2.7.1 Outliers 64 2.7.1.1 Residuals 64 2.7.1.2 Leverage 66 2.7.2 Model Fit 67 2.7.3 Bias-variance Trade-off 69 2.7.4 Test Set Validation 70 2.7.5 Cross-validation 72 2.7.6 Permutation Testing 75 2.7.7 Jackknife and Bootstrap 76 2.7.8 Hyper-parameters and Penalties 77 2.8 Appendix 78 3 Structure of Multiblock Data 87 3.i General Introduction 87 3.1 Taxonomy 87 3.2 Skeleton of a Multiblock Data Set 87 3.2.1 Shared Sample Mode 88 3.2.2 Shared Variable Mode 88 3.2.3 Shared Variable or Sample Mode 88 3.2.4 Shared Variable and Sample Mode 89 3.3 Topology of a Multiblock Data Set 90 3.3.1 Unsupervised Analysis 90 3.3.2 Supervised Analysis 93 3.4 Linking Structures 95 3.4.1 Linking Structure for Unsupervised Analysis 95 3.4.2 Linking Structures for Supervised Analysis 96 3.5 Summary 98 4 Matrix Correlations 99 4.i General Introduction 99 4.1 Definition 99 4.2 Most Used Matrix Correlations 101 4.2.1 Inner Product Correlation 101 4.2.2 GCD coefficient 101 4.2.3 RV-coefficient 102 4.2.4 SMI-coefficient 102 4.3 Generic Framework of Matrix Correlations 104 4.4 Generalised Matrix Correlations 105 4.4.1 Generalised RV-coefficient 105 4.4.2 Generalised Association Coefficient 106 4.5 Partial Matrix Correlations 108 4.6 Conclusions and Recommendations 110 4.7 Open Issues 111 Part II Selected Methods for Unsupervised and Supervised Topologies 113 5 Unsupervised Methods 115 5.i General Introduction 115 5.ii Relations to the General Framework 115 5.1 Shared Variable Mode 117 5.1.1 Only Common Variation 117 5.1.1.1 Simultaneous Component Analysis 117 5.1.1.2 Clustering and SCA 123 5.1.1.3 Multigroup Data Analysis 125 5.1.2 Common, Local, and Distinct Variation 126 5.1.2.1 Distinct and Common Components 127 5.1.2.2 Multivariate Curve Resolution 130 5.2 Shared Sample Mode 133 5.2.1 Only Common Variation 133 5.2.1.1 SUM-PCA 133 5.2.1.2 Multiple Factor Analysis and STATIS 135 5.2.1.3 Generalised Canonical Analysis 136 5.2.1.4 Regularised Generalised Canonical Correlation Analysis 139 5.2.1.5 Exponential Family SCA 140 5.2.1.6 Optimal-scaling 143 5.2.2 Common, Local, and Distinct Variation 146 5.2.2.1 Joint and Individual Variation Explained 146 5.2.2.2 Distinct and Common Components 147 5.2.2.3 PCA-GCA 148 5.2.2.4 Advanced Coupled Matrix and Tensor Factorisation 153 5.2.2.5 Penalised-ESCA 156 5.2.2.6 Multivariate Curve Resolution 158 5.3 Generic Framework 159 5.3.1 Framework for Simultaneous Unsupervised Methods 159 5.3.1.1 Description of the Framework 159 5.3.1.2 Framework Applied to Simultaneous Unsupervised Data Analysis Methods 161 5.3.1.3 Framework of Common/Distinct Applied to Simultaneous Unsupervised Multiblock Data Analysis Methods 161 5.4 Conclusions and Recommendations 162 5.5 Open Issues 164 6 ASCA and Extensions 167 6.i General Introduction 167 6.ii Relations to the General Framework 167 6.1 ANOVA-Simultaneous Component Analysis 168 6.1.1 The ASCA Method 168 6.1.2 Validation of ASCA 176 6.1.2.1 Permutation Testing 176 6.1.2.2 Back-projection 178 6.1.2.3 Confidence Ellipsoids 178 6.1.3 The ASCA+ and LiMM-PCA Methods 181 6.2 Multilevel-SCA 182 6.3 Penalised-ASCA 183 6.4 Conclusions and Recommendations 185 6.5 Open Issues 186 7 Supervised Methods 187 7.i General Introduction 187 7.ii Relations to the General Framework 187 7.1 Multiblock Regression: General Perspectives 188 7.1.1 Model and Assumptions 188 7.1.2 Different Challenges and Aims 188 7.2 Multiblock PLS Regression 190 7.2.1 Standard Multiblock PLS Regression 190 7.2.2 MB-PLS Used for Classification 194 7.2.3 Sparse Multiblock PLS Regression (sMB-PLS) 196 7.3 The Family of SO-PLS Regression Methods (Sequential and Orthogonalised PLS Regression) 199 7.3.1 The SO-PLS Method 199 7.3.2 Order of Blocks 202 7.3.3 Interpretation Tools 202 7.3.4 Restricted PLS Components and their Application in SO-PLS 203 7.3.5 Validation and Component Selection 204 7.3.6 Relations to ANOVA 205 7.3.7 Extensions of SO-PLS to Handle Interactions Between Blocks 212 7.3.8 Further Applications of SO-PLS 215 7.3.9 Relations Between SO-PLS and ASCA 215 7.4 Parallel and Orthogonalised PLS (PO-PLS) Regression 217 7.5 Response Oriented Sequential Alternation 222 7.5.1 The ROSA Method 222 7.5.2 Validation 225 7.5.3 Interpretation 225 7.6 Conclusions and Recommendations 228 7.7 Open Issues 229 Part III Methods for Complex Multiblock Structures 231 8 Complex Block Structures; with Focus on L-Shape Relations 233 8.i General Introduction 233 8.ii Relations to the General Framework 234 8.1 Analysis of L-shape Data: General Perspectives 235 8.2 Sequential Procedures for L-shape Data Based on PLS/PCR and ANOVA 236 8.2.1 Interpretation of X1, Quantitative X2-data, Horizontal Axis First 236 8.2.2 Interpretation of X1, Categorical X2-data, Horizontal Axis First 238 8.2.3 Analysis of Segments/Clusters of X1 Data 240 8.3 The L-PLS Method for Joint Estimation of Blocks in L-shape Data 246 8.3.1 The Original L-PLS Method, Endo-L-PLS 247 8.3.2 Exo- Versus Endo-L-PLS 250 8.4 Modifications of the Original L-PLS Idea 252 8.4.1 Weighting Information from X3 and X1 in L-PLS Using a Parameter α252 8.4.2 Three-blocks Bifocal PLS 253 8.5 Alternative L-shape Data Analysis Methods 254 8.5.1 Principal Component Analysis with External Information 254 8.5.2 A Simple PCA Based Procedure for Using Unlabelled Data in Calibration 255 8.5.3 Multivariate Curve Resolution for Incomplete Data 256 8.5.4 An Alternative Approach in Consumer Science Based on Correlations Between X3 and X1 257 8.6 Domino PLS and More Complex Data Structures 258 8.7 Conclusions and Recommendations 258 8.8 Open Issues 260 Part IV Alternative Methods for Unsupervised and Supervised Topologies 261 9 Alternative Unsupervised Methods 263 9.i General Introduction 263 9.ii Relationship to the General Framework 263 9.1 Shared Variable Mode 263 9.2 Shared Sample Mode 265 9.2.1 Only Common Variation 265 9.2.1.1 DIABLO 265 9.2.1.2 Generalised Coupled Tensor Factorisation 266 9.2.1.3 Representation Matrices 267 9.2.1.4 Extended PCA 272 9.2.2 Common, Local, and Distinct Variation 273 9.2.2.1 Generalised SVD 273 9.2.2.2 Structural Learning and Integrative Decomposition 273 9.2.2.3 Bayesian Inter-battery Factor Analysis 275 9.2.2.4 Group Factor Analysis 276 9.2.2.5 OnPLS 277 9.2.2.6 Generalised Association Study 278 9.2.2.7 Multi-Omics Factor Analysis 278 9.3 Two Shared Modes and Only Common Variation 281 9.3.1 Generalised Procrustes Analysis 282 9.3.2 Three-way Methods 282 9.4 Conclusions and Recommendations 283 9.4.1 Open Issues 284 10 Alternative Supervised Methods 287 10.i General Introduction 287 10.ii Relations to the General Framework 287 10.1 Model and Focus 288 10.2 Extension of PCovR 288 10.2.1 Sparse Multiblock Principal Covariates Regression, Sparse PCovR 288 10.2.2 Multiway Multiblock Covariates Regression 289 10.3 Multiblock Redundancy Analysis 292 10.3.1 Standard Multiblock Redundancy Analysis 292 10.3.2 Sparse Multiblock Redundancy Analysis 294 10.4 Miscellaneous Multiblock Regression Methods 295 10.4.1 Multiblock Variance Partitioning 296 10.4.2 Network Induced Supervised Learning 296 10.4.3 Common Dimensions for Multiblock Regression 298 10.5 Modifications and Extensions of the SO-PLS Method 298 10.5.1 Extensions of SO-PLS to Three-Way Data 298 10.5.2 Variable Selection for SO-PLS 299 10.5.3 More Complicated Error Structure for SO-PLS 299 10.5.4 SO-PLS Used for Path Modelling 300 10.6 Methods for Data Sets Split Along the Sample Mode, Multigroup Methods 304 10.6.1 Multigroup PLS Regression 304 10.6.2 Clustering of Observations in Multiblock Regression 306 10.6.3 Domain-Invariant PLS, DI-PLS 307 10.7 Conclusions and Recommendations 308 10.8 Open Issues 309 Part V Software 311 11 Algorithms and Software 313 11.1 Multiblock Software 313 11.2 R package multiblock 313 11.3 Installing and Starting the Package 314 11.4 Data Handling 314 11.4.1 Read From File 314 11.4.2 Data Pre-processing 315 11.4.3 Re-coding Categorical Data 316 11.4.4 Data Structures for Multiblock Analysis 317 11.4.4.1 Create List of Blocks 317 11.4.4.2 Create data.frame of Blocks 317 11.5 Basic Methods 318 11.5.1 Prepare Data 319 11.5.2 Modelling 319 11.5.3 Common Output Elements Across Methods 319 11.5.4 Scores and Loadings 320 11.6 Unsupervised Methods 321 11.6.1 Formatting Data for Unsupervised Data Analysis 321 11.6.2 Method Interfaces 322 11.6.3 Shared Sample Mode Analyses 322 11.6.4 Shared Variable Mode 322 11.6.5 Common Output Elements Across Methods 323 11.6.6 Scores and Loadings 324 11.6.7 Plot From Imported Package 325 11.7 ANOVA Simultaneous Component Analysis 325 11.7.1 Formula Interface 325 11.7.2 Simulated Data 325 11.7.3 ASCA Modelling 325 11.7.4 ASCA Scores 326 11.7.5 ASCA Loadings 326 11.8 Supervised Methods 327 11.8.1 Formatting Data for Supervised Analyses 327 11.8.2 Multiblock Partial Least Squares 328 11.8.2.1 MB-PLS Modelling 328 11.8.2.2 MB-PLS Summaries and Plotting 328 11.8.3 Sparse Multiblock Partial Least Squares 328 11.8.3.1 Sparse MB-PLS Modelling 328 11.8.3.2 Sparse MB-PLS Plotting 329 11.8.4 Sequential and Orthogonalised Partial Least Squares 330 11.8.4.1 SO-PLS Modelling 330 11.8.4.2 Måge Plot 331 11.8.4.3 SO-PLS Loadings 332 11.8.4.4 SO-PLS Scores 333 11.8.4.5 SO-PLS Prediction 334 11.8.4.6 SO-PLS Validation 334 11.8.4.7 Principal Components of Predictions 336 11.8.4.8 CVANOVA 336 11.8.5 Parallel and Orthogonalised Partial Least Squares 337 11.8.5.1 PO-PLS Modelling 337 11.8.5.2 PO-PLS Scores and Loadings 338 11.8.6 Response Optimal Sequential Alternation 339 11.8.6.1 ROSA Modelling 339 11.8.6.2 ROSA Loadings 340 11.8.6.3 ROSA Scores 340 11.8.6.4 ROSA Prediction 340 11.8.6.5 ROSA Validation 341 11.8.6.6 ROSA Image Plots 342 11.8.7 Multiblock Redundancy Analysis 343 11.8.7.1 MB-RDA Modelling 343 11.8.7.2 MB-RDA Loadings and Scores 343 11.9 Complex Data Structures 344 11.9.1 L-PLS 344 11.9.1.1 Simulated L-shaped Data 344 11.9.1.2 Exo-L-PLS 344 11.9.1.3 Endo-L-PLS 344 11.9.1.4 L-PLS Cross-validation 345 11.9.2 SO-PLS-PM 345 11.9.2.1 Single SO-PLS-PM Model 346 11.9.2.2 Multiple Paths in an SO-PLS-PM Model 346 11.10 Software Packages 347 11.10.1 R Packages 347 11.10.2 MATLAB Toolboxes 348 11.10.3 Python 349 11.10.4 Commercial Software 349 References 351 Index 373

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Book SynopsisThe definitive guide for scientific entrepreneurs commercializing sustainable technologies in the chemical sector Lacking the considerable resources of multinational chemical companies, entrepreneurs face a unique set of risks and challenges. How to Commercialize Chemical Technologies for a Sustainable Future is targeted at innovators who are embarking on the entrepreneurial path with their sustainable chemical technology but are unsure of what steps to take. This first-of-its-kind resource features contributions from a diverse team of expert authors, including engineers, venture capitalists, marketing specialists, intellectual property professionals, regulatory experts, industry practitioners, and many others. Accessible and highly practical, this real-world guide covers each step of the technology commercialization process, from market landscape analysis and financing to scale-up and strategic partnering. Throughout the book, effective tactics and strategies for growing a new ventTable of ContentsList of Contributors xvii 1 Introduction 1Timothy J. Clark and Andrew S. Pasternak 1.1 What Is This Book About? 1 1.2 What Is a Sustainable Chemical Technology? 3 1.3 Commercializing Sustainable Chemical Technologies Is Challenging 4 1.4 Who Should Read This Book? 5 1.5 Structure of This Book 6 1.6 Using This Book 9 Acknowledgments 9 References 9 Part I Laying the Foundation 11 2 Marketing and Landscape Analysis 13Tess Fennelly 2.1 Introduction: Think Marketing 13 2.2 Creating a Marketing Plan: The Application Framework 15 2.3 Customer Needs and Mapping 15 2.4 Customer Analysis: How to Gather Customer Needs Data 16 2.4.1 Finding the Right Contacts 18 2.4.2 The Interview Form 18 2.5 Customer Needs Mapping 21 2.6 Market Segmentation 22 2.7 Market Segment Evaluation 25 2.8 Competitive Landscape and Competencies 25 2.9 Conclusion and Next Steps 27 3 Determining the True Value of a Sustainable Chemical Technology 31Lauren Heine and Margaret H. Whittaker 3.1 Introduction 31 3.2 Sustainable Value and the United Nations Sustainable Development Goals 32 3.2.1 Embracing SDGs at the Business Level: United Nations Global Compact Participation 34 3.3 Life-Cycle Thinking and Life-Cycle Assessment 34 3.4 Attributes and Impacts: Check Your Assumptions 35 3.5 Business Risk and Sustainable Design – Or How to Turn an Externality into a Selling Point 37 3.6 Guiding Principles for Sustainable Chemical Technology Innovations: Chemistry, Carbon, and Circularity 39 3.6.1 Sustainable Materials Management 39 3.6.2 Alternatives Assessment 40 3.7 Chemical and Material Considerations that Impact Sustainable Value 42 3.7.1 Chemistry 42 3.7.2 Carbon 46 3.7.3 Circularity 46 3.8 Introducing Your Sustainable Chemical Technology into the Marketplace 47 3.8.1 Communicating Cost Versus Life-Cycle Benefits 47 3.8.2 Benefiting from a “Green Premium” 47 3.8.3 Avoid Greenwashing 48 3.9 Conclusions 49 References 49 4 Intellectual Property Management and Strategy 55Nick Sutcliffe 4.1 Intellectual Property 55 4.2 What Is an Intellectual Property Right? 56 4.3 The Value of Intellectual Property Rights to a Sustainable Chemical Technology Company 56 4.4 Patents Explained 58 4.4.1 What Sort of Technology Can Be Patented? 58 4.4.2 What Is a Patent? 58 4.4.3 The Patent Bargain 58 4.4.4 Territorial 58 4.4.5 Time Limitation 59 4.4.6 Property 59 4.4.7 Exclusionary Right 59 4.4.8 Criteria for Patentability 59 4.4.9 Preparing and Filing a Patent Application 61 4.4.10 12-Month Anniversary 62 4.4.11 PCT Applications 63 4.4.12 Patent Examiners 63 4.4.13 Patent Examination 63 4.4.14 Grant 64 4.4.15 Renewal Fees 64 4.4.16 Costs 64 4.5 Building an IP Portfolio 65 4.5.1 Invention Management 65 4.5.2 Deciding Whether to File a Patent Application 66 4.5.3 Inventions Not Patentable or Worth Patenting 67 4.5.4 Patent Attorneys/Agents 67 4.5.5 Ownership 68 4.5.6 When to File a Patent Application 68 4.5.7 Where to File a Patent Application? 69 4.5.8 Controlling the Speed of the Process 70 4.5.9 Managing the Patent Application Process 70 4.6 Avoiding Other People’s IPRs 71 4.6.1 Freedom to Operate 71 4.6.2 Clearing Obstructions 72 4.6.3 Litigation 73 References 76 Part II Political and Environmental Considerations 79 5 Navigating and Leveraging Government Entrepreneurial Ecosystems for Support 81Janine Elliott and Rohit Sood 5.1 What Is an Entrepreneurial Ecosystem? 81 5.2 Types of Resources Available 82 5.2.1 Financial Resources 82 5.2.2 Nonmonetary Resources 83 5.3 Ecosystems in the United States and Canada 84 5.3.1 Government Agencies 84 5.3.2 Non-profit Organizations 87 5.3.3 Incubators and Accelerators 88 5.3.4 Academic Research Institutions 89 5.3.5 Investors 90 5.3.6 Hybrids of Resources and Players 90 5.4 Ecosystems in the European Union 91 5.4.1 SusChem: A European Technology Platform of Sustainable Chemistry 92 5.4.2 Entrepreneurial Ecosystem Resources 92 5.4.3 Competitiveness of Enterprises and SMEs (COSME) 93 5.4.4 InnovFin – Financing for Innovators 94 5.4.5 European Innovation Council (EIC) Accelerator 94 5.4.6 Other EU Programs for the Entrepreneur 95 5.4.7 Prizes 96 5.5 Setting Priorities When Pursuing Resources 96 5.6 Conclusion: Engage with Your Ecosystem 98 References 101 6 Factoring in Public Policy and Perception 103Kira Matus 6.1 Introduction 103 6.2 Chemicals and Policy 104 6.2.1 International Policies 105 6.2.2 Regional Policy – The European Union 106 6.2.3 National-Level Policies 107 6.2.4 Policies Beneath the National Level (US) 109 6.3 New Trends and Approaches 110 6.3.1 The Precautionary Shift 110 6.3.2 Attention to Vulnerable Populations 111 6.3.3 Industry, NGOs, the Public, and Other “Governance” Actors 112 6.3.4 Public Perceptions 113 6.4 Conclusion: Policy as Strategic Advantage for the Sustainable Chemistry Innovator 114 6.4.1 Perceptions and Opportunities 114 6.4.2 Practical Actions 115 Acknowledgments 115 References 115 7 Pre-market Approval of Chemical Substances: How New Chemical Products Are Regulated 119Richard E. Engler 7.1 Introduction 119 7.2 Overview 120 7.3 United States 121 7.3.1 Federal Food Drug and Cosmetic Act (FFDCA) 121 7.3.2 Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) 124 7.3.3 Toxic Substances Control Act (TSCA) 125 7.4 European Union (EU) 128 7.4.1 Registration 129 7.4.2 Exemptions to REACH Registration 130 7.5 China 131 7.5.1 Registration 131 7.6 Canada 132 7.7 Developing a Global Strategy 134 7.8 Summary 134 References 135 Part III Springing into Action 137 8 Navigating Supply Chains 139Tess Fennelly 8.1 Introduction 139 8.2 Supply Chain Complexity 139 8.3 Recognizing Points of View 141 8.4 Supply Chain Hurdles and Strategies to Overcome Them 143 8.4.1 Incumbency: Incumbents and Legacy Suppliers Own the Supply Chain, Market Access, and Global Supply 143 8.4.2 Roadblock: Adoption Must Occur at all Points in the Supply Chain in Order to Be Successful 144 8.4.3 Confusion: “Green Washing,” Perceptions, and Misinformation Confuses the Industry and Consumers on What Is Truly More Sustainable, Which Impacts Demand 145 8.4.4 Risk Aversion: Worries of Failure Due to Poor Performance, Brand Tarnishing, Hidden Costs, and Stagnant Product Sales 147 8.4.5 Decision-Makers: Sustainable Corporate Objectives vs. Operations May Not Align 148 8.4.6 Supply and Demand: Concern in Committing to a Single Sourced New Technology 149 8.4.7 Transparency: How to Satisfy Customer and Regulatory Demands While Protecting Intellectual Property and Trade Secrets 149 8.4.8 Price/Performance: It’s More Than Price per Pound; Total Cost Savings Need to Be Communicated 151 8.5 Lessons Learned 152 References 152 9 Strategic Partnering 153Jason Clark and Shawn Jones 9.1 Introduction 153 9.1.1 Partnerships as a Change Driver 153 9.1.2 Partnerships for Sustainable Chemical Technologies 154 9.1.3 Chapter Structure 155 9.2 Advantages and Disadvantages of Strategic Partnering 155 9.3 The Start-Up Perspective: Partnership Advantages and Disadvantages 155 9.3.1 Partnership Advantages for the Start-Up 155 9.3.2 Partnership Disadvantages for the Start-Up 158 9.4 The Industrial Partner Perspective: Partnership Advantages and Disadvantages 159 9.4.1 Partnership Advantages for the Industrial Partner 159 9.4.2 Partnership Disadvantages for the Industrial Partner 161 9.5 Mitigation of the Disadvantages and Risks 163 9.5.1 For the Start-Up 163 9.5.2 For the Industrial Partner 163 9.6 Evaluating a Potential Partnership 164 9.6.1 Start-Up Perspective 164 9.6.2 Industrial Perspective 165 9.7 Establishing the Partnership 166 9.8 Executing the Partnership 167 9.9 Closing the Partnership 168 9.10 Case Studies 169 References 171 10 Bridging the Gap 1: From Eureka Moment to Validation 175Peiman Hosseini and Harish Bhaskaran 10.1 Introduction 175 10.2 Fundamental Research Leading to an Invention 176 10.3 Proving the Concept 178 10.4 The Tech Team: Moving Beyond an Academic Group 179 10.5 Developing the Road Map 180 10.6 Defining Your Technology Development Requirements 182 10.7 The Innovation Cycle: Design, Simulate, Fabricate, Test, Iterate 184 10.8 Accelerating the Process 186 10.8.1 An Example in Workflow Management 186 10.9 Growing and Evolving the Team 188 10.10 Summary 189 References 190 11 Bridging the Gap 2: From Validation to Pilot Scale-Up 19111.1 Part 1: Setting the Groundwork 191James Lockhart and Andrew Ellis 11.1.1 Introduction 191 11.1.2 Letting Go and Obtaining External Expertise 192 11.1.3 Safety Considerations 193 11.1.4 Commercial Considerations 195 11.1.5 Techno-Economic Assessment 197 11.1.6 Conclusion 203 11.2 Part 2: Building the Pilot Unit 205James Lockhart and Andrew Ellis 11.2.1 Introduction 205 11.2.2 Piloting and Scale-Up Basics 205 11.2.3 Process and Equipment Considerations 210 11.2.4 Pilot Plant Operation and Location 215 11.2.5 Conclusion 218 12 Raising Investment/Financing 219Matthew L. Cohen 12.1 Introduction 219 12.2 Main Investment Sources 220 12.2.1 Grants 220 12.2.2 Strategic Partnerships 220 12.2.3 Equity Investment 221 12.2.4 Debt 222 12.2.5 Bootstrapping (Using Your Own Money) 223 12.2.6 Summary 224 12.3 Unique Considerations for Investing in Sustainable Chemistry 224 12.3.1 Investment Drivers 225 12.3.2 Investment Impediments 227 12.3.3 Comparison to More Heavily Funded Areas 229 12.4 Financing Considerations 231 12.4.1 Trade-Offs Between Investment Types 232 12.5 Best Practices to Present Your Company to an Investor 235 12.5.1 Summary 236 12.6 Financing Case Study: Cnano Technology 237 Reference 238 13 Operationalizing a Start-Up Company 239Andrew White 13.1 Introduction 239 13.2 Oversight Boards 240 13.2.1 Advisory Board 240 13.2.2 Board of Directors 241 13.2.3 Building an Advisory Board 242 13.2.4 Building a Board of Directors 242 13.2.5 Managing the Board 243 13.2.6 Compensating Boards 243 13.3 Systems 245 13.3.1 Human Resources Management 245 13.3.2 Health and Safety Systems 247 13.3.3 Financial Systems 248 13.3.4 Financial Projections 250 13.4 Conclusion 253 Part IV Success Stories 255 14 Making an Impact: Sustainable Success Stories 257 14.1 CarbonCure 257Jennifer Wagner and Sean Monkman 14.1.1 The Vision 257 14.1.2 The Core of the Technologies 257 14.1.3 Determining the Value Proposition 258 14.1.4 The Commercialization Pathway 258 14.1.5 Financing 259 14.1.6 Development and Validation 260 14.1.7 Successes 261 14.1.8 Lessons Learned 262 References 262 14.2 Avantium 263Gert-Jan M. Gruter and Thomas B. van Aken 14.2.1 Initial Technology and Business Model 263 14.2.2 Change in Direction 264 14.2.3 Exploring and Validating a New Opportunity 265 14.2.4 Huge Challenges and Huge Advances 266 14.2.5 Expanding Our Technology Portfolio 267 14.2.6 Additional Strategies and Lessons Learned 268 14.2.7 Summary 270 References 270 14.3 Hazel Technologies 271Aidan R. Mouat 14.3.1 Blind Luck or Preparation? 271 14.3.2 Hazel Technologies: How It Started and Where We Are Today 272 14.3.3 Understanding What Our Business Really Is 273 14.3.4 Targeting Value Through the Supply Chain 274 14.3.5 Final Thoughts 276 Index 277

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Book SynopsisA unique and ground-breaking book from two leading specialists on adhesion and adhesives for wood and lignocellulosic materials The book is a comprehensive treatment covering a wide range of subjects uniquely available in a single source for the first time. A material science approach has been adopted in dealing with wood adhesion and adhesives. The approach of the authors is to bring out hierarchical cellular and porous characteristics of wood with polymeric cell wall structure, along with the associated non-cell wall extractives, which greatly influence the interaction of wood substrate with polymeric adhesives in a very unique manner not existent in the case of other adherends. Environmental aspects, in particular formaldehyde emission from adhesive bonded wood products, has been included. A significant feature of the book is the inclusion of polymeric matrix materials for wood polymer composites.

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Book SynopsisTable of ContentsChapter 1 Safety First, Last, and Always 1 Accidents Will Not Happen 5 Disposing of Waste 5 Mixed Waste 7 Material Safety Data Sheet (Msds) 8 Green Chemistry and Planning an Organic Synthesis 8 An iBag for Your iThing 10 Exercises 10 Chapter 2 Keeping a Notebook 11 A Technique Experiment 12 Notebook Notes 12 A Synthesis Experiment 16 Notebook Notes 17 The Six Maybe Seven Elements in Your Experimental Write-Up 20 The Acid Test 21 Notebook Mortal Sin 21 Calculation of Percent Yield (Not Yeild!) 22 Estimation Is Your Friend 24 Exercises 24 Chapter 3 Mining Your Own Data 25 Google and the Wiki 26 The Terphenyl Anomaly 29 Exercises 29 Chapter 4 Jointware 30 Stoppers With Only One Number 31 Another Episode of Love of Laboratory 33 Hall of Blunders and Things Not Quite Right 34 Round-Bottom Flasks 34 Columns and Condensers 34 The Adapter with Lots of Names 35 Forgetting the Glass 36 Inserting Adapter Upside Down 36 Inserting Adapter Upside Down sans Glass 37 The O-Ring and Cap Branch Out 38 Greasing the Joints 38 To Grease or Not to Grease 38 Preparation of the Joints 39 Into the Grease Pit 39 Storing Stuff and Sticking Stoppers 40 Corking a Vessel 40 Chapter 5 Microscale Jointware 41 Microscale: A Few Words 41 Uh-Oh Rings 42 The O-Ring Cap Seal 42 Skinny Apparatus 42 Not-So-Skinny Apparatus 43 Sizing Up the Situation 43 Why I Don’t Really Know How Vacuum-Tight These Seals Are 44 The Comical Vial (That’s Conical!) 45 The Conical Vial as Vial 45 Packaging Oops 46 Tare to the Analytical Balance 46 The Electronic Analytical Balance 46 Heating These Vials 47 The Microscale Drying Tube 48 Gas Collection Apparatus 48 Generating the Gas 49 Isolating the Product 51 Chapter 6 Other Interesting Equipment 52 Funnels, and Beakers, and Flasks—Oh My! 53 The Flexible Double-Ended Stainless Steel Spatula 54 Transferring a Powdered Solid with the Spatula 55 Chapter 7 Pipet Tips 56 Pre-Preparing Pasteur Pipets 56 Calibration 56 Operation 57 Amelioration 58 Pipet Cutting 58 Pipet Filtering—Liquids 60 Pipet Filtering—Solids 61 Chapter 8 Syringes, Needles, and Septa 63 The Rubber Septum 65 Chapter 9 Clean and Dry 66 Drying Your Glassware When You Don’t Need To 67 Drying Your Glassware When You Do Need To 67 Chapter 10 Drying Agents 68 Typical Drying Agents 68 Using a Drying Agent 69 Following Directions and Losing Product Anyway 70 Drying Agents: Microscale 70 Drying in Stages: The Capacity and Efficiency of Drying Agents 70 Exercises 71 Chapter 11 On Products 72 Solid Product Problems 72 Liquid Product Problems 72 The Sample Vial 73 Hold It! Don’t Touch That Vial 73 Chapter 12 The Melting-Point Experiment 74 Sample Preparation 75 Loading the Melting-Point Tube 75 Closing Off Melting-Point Tubes 76 Melting-Point Hints 77 The Mel-Temp Apparatus 77 Operation of the Mel-Temp Apparatus 79 The SRS DigiMelt 80 The Fisher-Johns Apparatus 82 Operation of the Fisher-Johns Apparatus 83 The Thomas-Hoover Apparatus 84 Operation of the Thomas-Hoover Apparatus 85 Using the Thiele Tube 88 Cleaning the Tube 89 Getting the Sample Ready 89 Dunking the Melting-Point Tube 90 Heating the Sample 91 Exercises 91 Chapter 13 Recrystallization 92 Finding a Good Solvent 93 General Guidelines for a Recrystallization 94 My Product Disappeared 95 Gravity Filtration 95 The Buchner Funnel and Filter Flask 97 Just a Note 100 The Hirsch Funnel and Friends 101 Activated Charcoal 101 The Water Aspirator: A Vacuum Source 102 The Water Trap 102 Working with a Mixed-Solvent System—The Good Part 103 The Ethanol—Water System 103 A Mixed-Solvent System—The Bad Part 104 Salting Out 105 World-Famous Fan-Folded Fluted Paper 105 Exercises 107 Chapter 14 Recrystallization: Microscale 108 Isolating the Crystals 109 Craig Tube Filtration 109 Centrifuging the Craig Tube 113 Getting the Crystals Out 113 Chapter 15 Extraction and Washing 114 Never-Ever Land 115 Starting an Extraction 115 Dutch Uncle Advice 116 The Separatory Funnel 117 The Stopper 117 The Teflon Stopcock 118 How to Extract and Wash What 119 The Road to Recovery—Back-Extraction 120 A Sample Extraction 121 Performing an Extraction or Washing 123 Extraction Hints 124 Theory of Extraction 125 Exercises 127 Chapter 16 Extraction and Washing: Microscale 128 Mixing 128 Separation: Removing the Bottom Layer 128 Separation: Removing the Top Layer 129 Separation: Removing Both Layers 130 Chapter 17 Sources of Heat 131 Boiling Stones 131 The Steam Bath 132 The Bunsen Burner 133 Burner Hints 134 The Heating Mantle 135 Proportional Heaters and Stepless Controllers 137 Exercise 139 Chapter 18 Clamps and Clamping 140 Clamping a Distillation Setup 142 Clipping a Distillation Setup 147 CHAPTER 19 Distillation 150 Distillation Notes 151 Class 1: Simple Distillation 151 Sources of Heat 151 The Three-Way Adapter 152 The Distilling Flask 152 The Thermometer Adapter 153 The Ubiquitous Clamp 153 The Thermometer 154 The Condenser 154 The Vacuum Adapter 154 The Receiving Flask 154 The Ice Bath 154 The Distillation Example 155 The Distillation Mistake 155 Class 2: Vacuum Distillation 156 Pressure Measurement 157 Manometer Hints 158 Leaks 158 Pressure and Temperature Corrections 159 Vacuum Distillation Notes 162 Class 3: Fractional Distillation 164 How This Works 164 Fractional Distillation Notes 167 Azeotropes 168 Class 4: Steam Distillation 168 External Steam Distillation 168 Internal Steam Distillation 170 Steam Distillation Notes 171 Simulated Bulb-to-Bulb Distillation: Fakelrohr 172 Exercises 173 Chapter 20 Microscale Distillation 175 Like the Big Guy 175 Class 1: Simple Distillation 175 Class 2: Vacuum Distillation 175 Class 3: Fractional Distillation 176 Class 4: Steam Distillation 176 Microscale Distillation II: The Hickman Still 176 The Hickman Still Setup 176 Hickman Still Heating 177 Recovering Your Product 178 A Port in a Storm 178 Chapter 21 The Rotary Evaporator 179 Exercises 182 Chapter 22 Reflux and Addition 183 Standard Reflux 183 A Dry Reflux 185 Addition and Reflux 186 Funnel Fun 186 How to Set Up 188 Exercise 189 Chapter 23 Reflux: Microscale 190 Addition and Reflux: Microscale 190 Chapter 24 Sublimation 192 Chapter 25 Microscale Boiling Point 195 Microscale Boiling Point 195 Ultramicroscale Boiling Point 197 Chapter 26 Chromatography: Some Generalities 199 Adsorbents 199 Separation or Development 200 The Eluatropic Series 200 Chapter 27 Thin-Layer Chromatography: TLC 202 We Don’t Make Our Own TLC Plates Any More, But… 202 Pre-prepared TLC Plates 203 The Plate Spotter 203 Spotting the Plates 204 Developing a Plate 205 Visualization 206 Interpretation 207 Multiple Spotting 209 Cospotting 210 Other TLC Problems 210 Preparative TLC 212 Exercises 212 Chapter 28 Wet-Column Chromatography 214 Preparing the Column 214 Compounds on the Column 216 Visualization and Collection 217 Wet-Column Chromatography: Microscale 218 Flash Chromatography 219 Microscale Flash Chromatography 220 Exercises 221 Chapter 29 Refractometry 222 The Abbé Refractometer 223 Before Using the Abbé Refractometer: A Little Practice 224 Using the Abbé Refractometer 225 Refractometry Hints 226 Chapter 30 Gas Chromatography 227 The Mobile Phase: Gas 227 GC Sample Preparation 228 GC Sample Introduction 228 Sample in the Column 230 Sample at the Detector 231 Electronic Interlude 232 Sample on the Computer 233 Parameters, Parameters 234 Gas Flow Rate 234 Temperature 234 Exercises 235 Chapter 31 HP Liquid Chromatography 236 The Mobile Phase: Liquid 237 A Bubble Trap 238 The Pump and Pulse Dampener Module 239 HPLC Sample Preparation 239 HPLC Sample Introduction 241 Sample in the Column 242 Sample at the Detector 242 Sample on the Computer 243 Parameters, Parameters 243 Eluent Flow Rate 244 Temperature 244 Eluent Composition 244 Exercises 244 Chapter 32 Infrared Spectroscopy (and a bit of uv-vis, too ) 245 Molecules As Balls On Springs 245 Ah, Quantum Mechanics 247 The Dissonant Oscillator 247 But Wait! There’s More 248 More Complicated Molecules 248 Correlation Tables to the Rescue 250 Troughs and Reciprocal Centimeters 254 Some Functional Group Analysis 254 A Systematic Interpretation 256 Infrared Sample Preparation 258 Liquid Samples 258 Solid Samples 259 Running the Spectrum 262 Interpreting IR Spectra—Finishing Touches 263 The Fourier Transform Infrared (FTIR) 264 The Optical System 264 A Reflectance Attachment: Something to Think About 268 And UV-VIS Too! 268 Electrons Get to Jump 268 Instrument Configuration 269 Source 270 Sample (and Reference) Cells 270 Solvents 270 Exercises 271 Chapter 32 On The Dual -Beam Infra-Red Instrument (ONLINE)1 The Perkin-Elmer 710B IR 2 Using the Perkin-Elmer 710B 4 The 100% Control: An Important Aside 5 Calibration of the Spectrum 6 IR Spectra: The Finishing Touches 7 Chapter 33 Nuclear Magnetic Resonance 272 Nuclei Have Spin, Too 272 The Magnetic Catch 273 Everybody Line Up, Flip, and Relax 273 A More Sensitive Census 274 The Chemical Shift 274 T For One and Two 275 Be It Better Resolved... 275 Incredibly Basic Ft-Nmr 276 Nmr Sample Preparation 276 Some Nmr Terms and Interpretations 280 The Chemical Shift and Tms Zero 280 Integration and Labeling 282 Threaded Interpretations: Spectrum #1 (t-butyl alcohol) 283 Threaded Interpretations: Spectrum #2 (Toluene) and Spectrum #3 (p-Dichlorobenzene) 283 Threaded Interpretations: Spectrum #4 (Ethylbenzene) and Spectrum #5 (A Double Resonance Experiment) 285 Use a Correlation Chart 288 Exercises 290 Chapter 34 Theory of Distillation (Online) 1 Class 1: Simple Distillation 1 Clausius and Clapeyron 3 Class 3: Fractional Distillation 5 A Hint from Dalton 5 Dalton and Raoult 5 A Little Algebra 6 Clausius and Clapeyron Meet Dalton and Raoult 7 Dalton Again 8 What Does It All Mean? 10 Reality Intrudes I: Changing Composition 12 Reality Intrudes II: Nonequilibrium Conditions 12 Reality Intrudes III: Azeotropes 13 Other Deviations 16 Class 4: Steam Distillation 16 Index 291

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Book SynopsisProvides a comprehensive guide to the use of gas chromatographymass spectrometry (GC-MS) on environmentally significant organic compounds This book presents a library of mass spectra of 1,725 biologically and environmentally important organic compounds, in the form of their trimethylsilyl derivatives (TMS), as well as their linear temperature programmed chromatographic retention indices, RI, whose values are in the range of 700-4700 index units. Of the compounds presented, more than 60% of compounds have not previously been characterized by their mass spectra, and more than 70% not previously been characterized by their RI values. Some of these compounds, never before analysed via MS and GC, were detected by the author's team in plant tissues. The first chapters of the book are devoted to the methodology and practice of sample preparation, as well as to mass spectrometry considerations. They contain the discussion of possible complicaTable of ContentsPreface vii 1 Introduction 1 2 Gas Chromatography and Mass Spectrometry Considerations 7 2.1 Silylation Reagents and Procedure of Derivatisation 7 2.2 Two-Step Derivatisation: Oximating−Silylating 8 2.3 Analytical Procedure 10 2.3.1 Selection of Stationary Phase and Conditions of Separation 10 2.3.2 Sample Preparation 10 2.3.3 Qualitative MS Identification 12 2.3.3.1 Aliphatic Alcohols 16 2.3.3.2 Aromatic Alcohols 16 2.3.3.3 Carboxylic Acids 16 2.3.3.4 Amino Acids 16 2.3.3.5 Phenylpropanoids 17 2.3.3.6 Flavonoids 18 2.3.3.7 Steroids 20 2.3.3.8 Carbohydrates and Glycosides 22 2.4 A Critical Role of Retention Indices in GS–MS Investigations 24 2.5 Experimental Factors Influencing the Accuracy of Retention Indices 28 2.6 Possible Artefacts and Complications of Mass Spectral Identification 30 3 Explanation of Format Used in the Book 33 4 References 35 5 Alphabetic Listing of Compounds 43 6 Compounds Listed in Order of Their Retention Indices 87 7 Mass Spectra and Retention Indices of TMS Derivatives 131

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Book SynopsisBecause of increasing antibiotic resistance, stronger antibiotics are reserved for serious active infection, paving the way for a greater use of herbal antibiotics. This book helps dentists in implementing safe and effective natural medicine therapies to complement the current practice guidelines. Oral diseases continue to be a major health problem world-wide. Oral health is integral to general well-being and relates to the quality-of-life that extends beyond the functions of the craniofacial complex. The standard Western medicine has had only limited success in the prevention of periodontal disease and in the treatment of a variety of oral diseases. The dentist needs to be more informed regarding the use, safety and effectiveness of the various traditional medicines and over-the-counter products. Herbal extracts have been used in dentistry for reducing inflammation, as antimicrobial plaque agents, for preventing release of histamine and as antiseptics, antioxidants, antimicroTable of ContentsPreface xix Foreword xxiii Part I: Natural Oral Care 1 1 Natural Oral Care in Dental Therapy: Current and Future Prospects 3Durgesh Nandini Chauhan, Prabhu Raj Singh, Kamal Shah and Nagendra Singh Chauhan 1.1 Introduction 3 1.2 Safety of Natural Oral Care 15 1.3 Advantage of Natural Oral Care 15 1.4 Limitations of Natural Oral Care 16 1.5 Future Prospects of Natural Oral Care 16 References 17 2 Herbal Products for Oral Hygiene: An Overview of Their Biological Activities 31Ummuhan Sebnem Harput 2.1 Introduction 31 2.2 Oral Hygiene and Current Treatments 33 2.3 Plants Traditionally Used in Oral Hygiene 33 2.4 Clinically Studied Plant Product for Oral Hygiene 35 2.5 In Vitro Studied Herbal Product for Oral Hygiene 37 2.6 Discussion 40 2.7 Conclusion 41 References 41 3 Go Green—Periodontal Care in the Natural Way 45Siddhartha Varma and Sameer Anil Zope 3.1 Introduction 45 3.2 Plaque Control 46 3.3 Dant Dhavani (Brushing) 46 3.4 Jivha Lekhana (Tongue Scrapping) 47 3.5 Gandusha (Gargling) or Oil Pulling 48 3.6 Oxidative Stress in Periodontitis 48 3.7 Green Tea 48 3.7.1 Components 48 3.7.2 Beneficial Effects of Various Tea Components 49 3.7.2.1 Antioxidative Effect 49 3.7.3 Role in Managing Periodontitis 49 3.8 Turmeric (Curcumin longa, Haldi) 49 3.8.1 Applications of Turmeric in Dentistry 49 3.9 Amala (Emblica officinalis, Amalaki, Phyllanthus emblica, Indian Gooseberry, Dhatriphala) 50 3.10 Anar/Dalima (Punica granatum) 50 3.11 Launga/Clove (Syzygium aromaticum) 50 3.12 Gotu Kola (Centella asiatica) 51 3.13 Amra/Mango (Magnifera indica) 51 3.14 Neem (Azadirachta indica) 51 3.15 Tulsi (Ocimum sanctum) 51 3.16 Nilgiri (Eucalyptus globulus) 52 3.17 Tila/Sesame (Sesamum indicum) 52 3.18 Triphala 52 3.19 Tea Tree Oil (Melaleuca Oil) 52 3.20 Rumi Mastagi/Mastic Gum (Pistacia lentiscus) 53 3.21 Wheat Grass 53 3.22 Goldenseal (Hydrastis canadensis) 53 3.23 Licorice Root 53 3.24 Myrrh (Commiphora glileadenis) 54 3.25 Psidium guajava 54 3.26 Ginkbo Biloba 54 3.27 Honey 54 3.28 Other Herbs Which Can Be Potentially Used for Treating Periodontitis 55 3.29 Conclusion 55 References 56 4 Role of Herbal and Natural Products in the Management of Potentially Malignant Oral Disorders 61P. Kalyana Chakravarthy, Komal Smriti and Sravan Kumar Yeturu 4.1 Introduction 61 4.2 Oral Submucous Fibrosis (OSMF) 62 4.2.1 Background 62 4.2.2 Beta-Carotene 63 4.2.3 Lycopene 64 4.2.4 Aloe Vera 65 4.2.5 Colchicine 66 4.2.6 Tea Pigments 66 4.2.7 Spirulina 66 4.2.8 Chinese Herbal Medicines 67 4.2.9 Turmeric and Derivatives, Nigella sativa, Ocimum 68 4.2.10 Polyherbal Formulations 68 4.2.11 Ayurvedic Formulations 69 4.2.12 Conclusion 69 4.3 Oral Leukoplakia (OL) 70 4.3.1 Background 70 4.3.2 Green Tea and Extracts 70 4.3.3 Beta-Carotene (βC) 71 4.3.4 Lycopene 72 4.3.5 Curcumin 72 4.3.6 Miscellaneous 73 4.3.6.1 Alpha-Tocopherol 73 4.3.6.2 Chinese Herbs 73 4.3.6.3 Bowman–Birk Inhibitor Concentrate (BBIC) 73 4.3.7 Conclusion 73 4.4 Oral Lichen Planus (OLP) 74 4.4.1 Conclusion 75 References 75 Part II: Studies of Plants Used in Dental Disease 81 5 Studies on the Anticariogenic Potential of Medicinal Plant Seed and Fruit Extracts 83Disha M. Patel, Jenabhai B. Chauhan and Kalpesh B. Ishnava 5.1 Introduction 83 5.2 Materials and Methods 85 5.2.1 Plant Materials 85 5.2.2 Preparation of Plant Seed and Fruit Extracts 85 5.2.3 Cariogenic Bacterial Strains 85 5.2.4 Preparation of Inoculums 86 5.2.5 Anticariogenic Activity Screening of Plant Extracts 87 5.2.5.1 Agar Well Diffusion Assay 87 5.2.5.2 Determination of Minimum Inhibitory Concentration (MIC) 87 5.2.6 Preliminary Phytochemical Analysis 87 5.2.7 Analytical Thin Layer Chromatography 87 5.2.8 TLC—Bioautography 88 5.3 Result and Discussion 88 5.3.1 MIC Value of Effective Plant Extracts 91 5.3.2 Phytochemical Screening and Bioautography 92 5.4 Conclusion 94 Acknowledgments 95 References 95 6 Cytotoxic and Anti-Inflammatory Effect of Turmeric and Aloe Vera in a Gingivitis Model 97Karen Esperanza Almanza-Aranda, Miguel Aranda-Fonseca, Gabriela Velazquez-Plascencia and Rene Garcia-Contreras 6.1 Introduction 97 6.2 Gingivitis and Periodontitis 98 6.3 Aloe Vera 99 6.3.1 Aloe Vera for Gingivitis and Periodontitis 100 6.3.2 Aloe Vera: Other Oral Applications 100 6.4 Turmeric 100 6.4.1 Turmeric for Gingivitis and Periodontitis 101 6.4.2 Turmeric: Other Oral Applications 101 6.5 Methodology 102 6.5.1 Materials and Methods 102 6.5.1.1 Authorization 102 6.5.1.2 Cell Culture 102 6.5.1.3 Cell Subculture 102 6.5.1.4 Cytotoxicity Test 103 6.5.1.5 Anti-Inflammatory Activity in a Gingivitis Model 103 6.5.1.6 Statistical Analysis 104 6.5.2 Results 104 6.5.2.1 Cytotoxicity 104 6.5.2.2 Anti-Inflammatory Activity in a Gingivitis Model 105 6.5.3 Discussion 105 6.5.3.1 Cytotoxicity 105 6.5.3.2 Anti-Inflammatory Activity 106 6.6 Perspectives for the Future 107 6.7 Conclusions 107 References 107 7 Effects of Bauhinia forficata Link in Reducing Streptococcus mutans Biofilm on Teeth 111Julio Cesar C. Ferreira-Filho, Mariana Leonel Martins, Andressa Temperini de Oliveira Marre, Juliana Soares de Sá Almeida, Leandro de Araújo Lobo, Adriano Gomes Cruz, Marlon Máximo de Andrade, Thiago Isidro Vieira, Maria Teresa Villela Romanos, Lucianne Cople Maia, Ana Maria Gondim Valença and Andréa Fonseca-Gonçalves 7.1 Introduction 112 7.2 Materials and Methods 112 7.2.1 Recognition, Production, and Chemical Characterization of Ethanolic Tincture From B. forficata L. Leaves 112 7.2.2 Microbial Strains and Preparation of Inoculum 113 7.2.3 Minimum Inhibitory Concentration and Minimum Bactericidal Concentration (MBC) 113 7.2.4 Kill-Kinetic Assay 113 7.2.5 Cytotoxic Potential 114 7.2.6 Tooth Selection and Preparation for Microbiologic Assay Using an S. mutans Biofilm 114 7.2.7 Statistical Analysis 115 7.3 Results and Discussion 115 7.4 Final Considerations 118 Acknowledgments 118 References 119 8 Antimicrobial Effect of a Cardamom Ethanolic Extract on Oral Biofilm: An Ex Vivo Study 121Marina Fernandes Binimeliz, Mariana Leonel Martins, Julio Cesar Campos Ferreira Filho, Lucio Mendes Cabral, Adriano Gomes da Cruz, Lucianne Cople Maia and Andréa Fonseca-Gonçalves 8.1 Introduction 121 8.2 Materials and Methods 122 8.2.1 Cardamom Extract Production 122 8.2.2 Physical Analyses 123 8.2.3 Bacterial Strains and Determination of Minimum Inhibitory Concentration and Minimum Bactericidal Concentration 123 8.2.4 Salivary Collection for Biofilm Formation (Ex Vivo Experiment) 124 8.2.5 Biofilm Formation and Treatment 124 8.2.6 Statistical Analyses 127 8.3 Results and Discussion 127 8.4 Final Considerations 129 Acknowledgment 129 References 129 9 Effect of Punica granatum Peel Extract on Growth of Candida albicans in Oral Mucosa of Diabetic Male Rats 133Maryam Eidi and Fatemeh Noorbakhsh 9.1 Introduction 133 9.2 Materials and Methods 134 9.2.1 Hydro-Methanolic Extract 134 9.2.2 Candida albicans Inoculation 134 9.2.3 Animal 134 9.2.4 Statistical Analysis 135 9.3 Results and Discussion 135 9.4 Conclusion 136 Acknowledgment 136 References 137 Part III: Applications of Natural Products in Oral Care 139 10 Effect of Oil Pulling on Oral Health 141Sameer Anil Zope and Siddhartha Varma 10.1 Introduction 141 10.2 What is Oil Pulling (Snaihik Gandoosh)? 142 10.3 How Does Oil Pulling Work? 143 10.4 Composition and Various Activities of Most Commonly Used Oils for Oil Pulling 143 10.4.1 Sesame Oil 143 10.4.1.1 Antioxidant Activity 143 10.4.1.2 Antimicrobial Activity 144 10.4.2 Coconut Oil 145 10.4.2.1 Antibacterial, Antifungal, and Antiviral Activity 145 10.4.2.2 Antinociceptive, Anti-Inflammatory, Antioxidant, and Anti-Ulcer Activity 145 10.5 Procedure of Oil Pulling 146 10.6 Effects of Oil Pulling on Oral Health 146 10.6.1 Dental Caries 146 10.6.2 Plaque-Induced Gingivitis 147 10.6.3 Halitosis 148 10.6.4 Oral Thrush 149 10.6.5 Xerostomia and Burning Mouth Syndrome 149 10.7 Drawbacks of Oil Pulling 150 References 150 11 Role of Proteolytic Enzymes in Dental Care 153P. Kalyana Chakravarthy and Sravan Kumar Yeturu 11.1 Introduction 153 11.2 Role of Proteolytic Enzymes in Oral Surgery 154 11.2.1 Post-Extraction Management 154 11.2.2 Post-Surgical Facial Ecchymosis and or Edema 155 11.2.3 Enhanced the Action of Antibiotics 156 11.2.4 Effect of Bromelain on Blood Coagulation and Fibrinolysis 156 11.3 Role of Proteolytic Enzymes in Cancer and Oral Mucositis 156 11.3.1 Cancer 156 11.3.2 Management in Oral Mucositis 157 11.4 Osteoarthritis 157 11.5 Anti-Microbial Action 158 11.6 Treatment of Dental Carious Lesions 159 11.6.1 Laboratory Studies 159 11.6.2 Clinical Studies 160 11.7 Improvement in Bonding of Orthodontics Brackets 161 11.8 Role on Biofilm Control (Plaque, Gingivitis, and Oral Malodor) 163 11.9 Extrinsic Stain Removal on the Teeth 164 11.10 Role in Replantation of the Avulsed Tooth 165 11.11 Effect of Bromelain on Immunogenicity 165 11.12 Other Possible Applications and Scope for Future Research 165 References 165 12 The Effect of Probiotic on Oral Health 171Patricia Nadelman, Marcela Baraúna Magno, Mariana Farias da Cruz, Adriano Gomes da Cruz, Matheus Melo Pithon, Andréa Fonseca-Gonçalves and Lucianne Cople Maia 12.1 Introduction 171 12.2 Overview of Oral Communities and Probiotic-Based Therapy to Oral Dysbiosis 172 12.3 Probiotics Mechanisms of Action 175 12.4 Dental Caries 176 12.4.1 Definition and Etiopathology 176 12.4.2 Probiotics and Dental Caries 179 12.4.3 Probiotic-Contained Dairy Products and Dental Caries 179 12.4.4 Probiotic Powder and Dental Caries 180 12.4.5 Probiotic Tablets and Lozenges and Dental Caries 180 12.4.6 Probiotic Mouthwashes and Dental Caries 181 12.5 Periodontal Disease 181 12.5.1 Definition and Etiopathology 181 12.5.2 Probiotics and Periodontal Diseases 182 12.6 Oral Candidiasis 183 12.6.1 Definition and Etiopathology 183 12.6.2 Probiotics and Oral Candidiasis 184 12.7 Halitosis 185 12.7.1 Definition and Etiopathology 185 12.7.2 Probiotics and Halitosis 185 12.8 Conclusion 186 Acknowledgments 186 References 186 13 Charcoal in Dentistry 197Abhilasha Thakur, Aditya Ganeshpurkar and Anupam Jaiswal 13.1 Introduction 197 13.2 Charcoal Production Methods 199 13.2.1 The Traditional Method 199 13.2.2 The Modern Methods 199 13.3 Uses of Charcoal 200 13.3.1 Medicinal Uses 200 13.3.2 Non-Medicinal Uses 201 13.4 Charcoal Containing Oral and Dental Care Products 201 13.5 Benefits of Using Charcoal Containing Oral and Dental Care Products 204 13.5.1 Removes Stains and Whitens Teeth 204 13.5.2 Removes Acidic Plaque 204 13.5.3 Gives Fresh Breath and Improves Halitosis 204 13.5.4 Remineralize Teeth 205 13.5.5 Helps Overall Dental Health 205 13.5.6 Protects From Infection 205 13.5.7 Cost Effective for Regular Basis Use 205 13.6 Precautions to be Taken While Using Charcoal Containing Oral and Dental Care Products 206 13.7 Conclusion 207 References 207 14 Propolis Benefits in Oral Health 211Mariana Leonel Martins, Karla Lorene de França Leite, Yuri Wanderley Cavalcanti, Lucianne Cople Maia and Andréa Fonseca-Gonçalves 14.1 Introduction 211 14.2 Types of Propolis 213 14.2.1 Brown Propolis 213 14.2.2 Green Propolis 214 14.2.3 Red Propolis 214 14.3 Biological Properties of Propolis 215 14.3.1 Oral Antibacterial Activity 216 14.3.2 Oral Antifungal Activity 219 14.4 Other Biological Properties of Propolis 220 14.4.1 Anti-Inflammatory Activity 220 14.4.2 Antioxidant Activity 221 14.4.3 Anticancer Activity 221 14.5 Benefits for Oral Health and Applications in Dentistry 221 14.6 Final Considerations 222 Acknowledgment 223 References 223 15 Grape Seed Extract in Dental Therapy 229Anusuya V, Ashok Kumar Jena and Jitendra Sharan 15.1 Introduction 229 15.2 Part I: Basics About Grape Seed Extracts 230 15.2.1 Components of Grape Seed Extracts 230 15.2.2 Chemical Structure 231 15.2.3 Types of GSEs 232 15.2.4 Methods of Separation 232 15.2.5 Factors Influencing the Quality and Quantity of Polyphenols in the GSEs 234 15.2.6 Physical Properties of Polyphenols 235 15.2.7 Biochemical Properties (Biological and Pharmacological) 236 15.3 Part II: Biological Applications in Dentistry 240 15.3.1 GSEs in Dental Caries 240 15.3.2 Anti-Erosive Agent (Prevention of Enamel erosion) 242 15.3.3 Antiplaque Effect 243 15.3.4 Antibacterial Agent 244 15.3.5 Biomodifier 245 15.3.6 GSEs as a Remineralizing Agent—Existing Dilemma 247 15.4 GSEs in Restorative Dentistry 248 15.4.1 GSE as Cross-Linking Agent 248 15.4.2 GSE in Bonding 249 15.5 GSEs in Endodontic Treatment 250 15.5.1 Endodontic Irrigants 250 15.5.2 Post Endodontic Restorations 251 15.6 GSEs in Periodontics 251 15.6.1 Anti-Inflammatory Action in Periodontitis 252 15.6.2 Anti-Oxidative Action in Periodontitis 252 15.6.3 Antibacterial Action Against Periodontal Pathogens 253 15.6.4 Antimicrobial Activity in Peri-Implantitis 253 15.7 GSEs in Oral Cancer 254 15.8 Conclusion 254 References 255 16 Ocimum Sanctum L: Promising Agent for Oral Health Care Management 259Trinette Fernandes, Anisha D’souza and Sujata P. Sawarkar 16.1 Introduction 259 16.2 History of Ocimum sanctum 260 16.3 Chemical Constituents of Ocimum sanctum 260 16.4 Therapeutic Significance of Ocimum in Dental Health and Preventive Care Management 262 16.5 Novel Drug Delivery Formulations and Its Application in Dentistry 264 16.5.1 Nanofibers 264 16.5.2 β-Cyclodextrin Complexes 264 16.5.3 Nanoparticles of Biocompatible Ocimum sanctum-Coated Silver Nanoparticles 264 16.6 Conclusion 265 References 266 17 Coconut Palm (Cocos nucifera L.): A Natural Gift to Humans for Dental Ministrations 271Navneet Kishore and Akhilesh Kumar Verma 17.1 Introduction 271 17.2 Traditional Usage and Ethnopharmacological Relevance 272 17.3 Pharmacological Properties of Coconut 273 17.4 Role of Coconut Tree in Dental Ministrations 274 17.5 Exemplary Potential of Coconut Water in Dentistry 275 17.6 Other Significance of Coconut 276 17.6.1 Economic Value of Coconut Leaves 276 17.6.2 Use of Coconut Heart 277 17.6.3 Significance of Spathe and Inflorescence 277 17.6.4 Potential of Coconut Fruits 277 17.6.5 Usage of Coconut Milk 277 17.6.6 Importance of Coconut Shell 277 17.6.7 Commercial Usage of Husk Fibers 278 17.6.8 Economic Importance of Coconut Stems 278 17.6.9 Convention of Coconut Roots 278 17.7 Active Constituent Identified from Coconut 278 17.8 Future Prospective 279 17.9 Conclusions 280 Acknowledgments 280 References 281 18 Salvadora persica L. (Miswak): An Effective Folklore Toothbrush 285Sujata P. Sawarkar, Anisha D’souza and Trinette Fernandes 18.1 Introduction 285 18.2 History 286 18.3 Chemical Constituents 286 18.4 Extraction, Isolation, Identification of Chemical Constituents 287 18.5 Pharmacology—Therapeutic Activity of Salvadora persica L. 287 18.5.1 Theories for Miswak Activities 287 18.5.2 Antibacterial and Antifungal 288 18.5.3 Anti-Viral Effect 290 18.5.4 Anti-Cariogenic Effect 290 18.5.5 Antiplaque Effect 290 18.5.6 Antiperiodontitis Effect 290 18.5.7 Whitening Effect 291 18.6 Conclusion 292 References 292 19 Triphala and Oral Health 297Kamal Shigli, Sushma S Nayak, Mrinal Shete, Vasanti Lagali Jirge and Veerendra Nanjwade 19.1 Introduction 297 19.2 Taxonomical Classification 298 19.3 Chief Phytoconstituents 298 19.4 Role of Triphala in Dentistry 300 19.4.1 Anti-Caries Activity 300 19.4.2 Triphala as a Root Canal Irrigant 300 19.4.3 Anti-Microbial and Anti-Oxidant Effect of Triphala 306 19.4.4 Role of Triphala in Periodontal Diseases 306 19.4.5 Triphala as a Mouth Rinse 306 19.4.6 Anti-Candida Activity of Triphala 306 19.4.7 Anti-Collagenase Activity of Triphala 306 19.5 Pharmacological Activities of Triphala and Future Research 307 19.5.1 Anticancer and Antioxidant Activity of Triphala 307 19.5.2 Wound Healing Properties 307 19.5.3 Antibacterial Activity of Triphala 307 19.5.4 Anti-Diabetic Effect 307 19.5.5 Anti-Inflammatory, Analgesic, and Antipyretic Effect 307 19.5.6 Immunomodulatory Effect 308 19.6 Public Health Importance 308 19.7 Formulation Using Triphala 308 19.6 Conclusion 308 References 309 20 Azadirachta indica (Neem): An Ancient Indian Boon to the Contemporary World of Dentistry 313Sri Chandana Tanguturi, Sumanth Gunupati and Sreenivas Nagarakanti 20.1 Introduction 313 20.2 Vital Bioactive Compounds of Neem 314 20.2.1 Nimbidin 314 20.2.2 Azadirachtin 315 20.2.3 Nimbolide 315 20.2.4 Gedunin 315 20.2.5 Mahmoodin 315 20.2.6 Tannins 315 20.2.7 Diterpenoids 315 20.3 How to Distinguish Azadirachta Indica (Neem) from its Common Adulterant Melia Azedarach 316 20.4 Therapeutic Applications of Neem 316 20.4.1 Neem as an Anti-Inflammatory, Analgesic Agent 317 20.4.2 Antioxidant Activity 317 20.4.3 Anticancerous Activity 317 20.4.4 Antimicrobial Activity 318 20.4.4.1 Antibacterial Activity 318 20.4.4.2 Antiviral Activity 318 20.4.4.3 Antifungal Activity 318 20.4.4.4 Antimalarial Activity 318 20.4.5 Wound Healing Effect 318 20.5 Applications of Neem in Dentistry 318 20.5.1 Neem in Treatment of Periodontal Diseases 319 20.5.2 Role of Neem in Endodontics 319 20.5.3 Potent Role of Neem in Preventive Dentistry 320 20.5.3.1 Application in Dental Erosion Therapy 320 20.5.3.2 Anti-Microbial Activity 320 20.5.3.3 Anticaries Activity of Neem 320 20.5.3.4 Anti-Candidiasis Property 321 20.5.3.5 Anti-Cancer Property 321 20.6 Literature Supporting the Use of Neem in Dentistry 321 20.7 Toxicity and Safety 322 20.8 Contamination and Adulteration 322 20.9 Drug Interactions 322 20.10 Neem’s Prospects in Dentistry 323 20.11 Action Points and Recommendations for Health Care Professionals 323 20.12 Conclusion 323 References 324 21 Ginger in Oral Care 329Aditya Ganeshpurkar, Abhilasha Thakur and Anupam Jaiswal 21.1 Introduction 329 21.2 Description 330 21.3 Macroscopic Characteristics 330 21.4 Pharmacognostic Standards 330 21.5 Nutrient Composition 331 21.6 Pharmacological and Medicinal Effects 331 21.6.1 Oral Analgesic Effect 331 21.6.2 Antimicrobial Effect 332 21.6.3 Anti-Carries Activity 333 21.6.4 Anti-Decay Effect 333 21.6.5 Healing Effect in Root Canal Therapy 334 21.6.6 Anti-Xerostomia Effect 334 21.6.7 Anti-Pyorrhea Effect 335 21.6.8 Anti-Thrush Effect 335 21.6.9 Anti-Herpes Effect 336 21.6.10 Tooth Polishing 336 21.6.11 Mouth Deodorizing Effect 336 21.6.12 Anticancer Effect 338 21.6.13 Protection Against Aphthous Stomatitis 338 21.6.14 Effect on Dentin Hardness 338 21.7 Pharmacokinetics 339 21.8 Toxicological Studies 339 21.9 Conclusion 339 References 340 22 Effectiveness of Allium sativum on Bacterial Oral Infection 345Vesna Karic, Anupam Jaiswal, Heidi Abrahamse, Abhilasha Thakur and Aditya Ganeshpurkar 22.1 Introduction 345 22.1.1 History and Origin of Garlic 347 22.1.2 Medicinal Values of Garlic 348 22.2 Types of Allium sativum 349 22.2.1 Allium sativum Ophisocorodon/Hard-Necked Garlic 349 22.2.2 Allium sativum Sativum/Soft-Necked Garlic 349 22.3 Chemical Constituents 351 22.3.1 Allicin 351 22.3.2 Ajoenes 351 22.3.3 Alliin 351 22.4 Dental Infections and Epidemiology 352 22.5 Dental Infection and Antibiotic Resistance 352 22.6 The Antibacterial Application of Garlic in Dentistry 354 22.6.1 The Use of Garlic to Treat Oral Infections 354 22.6.1.1 Periodontitis 354 22.6.1.2 Pediatric Endodontitis 356 22.6.1.3 Dental Caries 357 22.6.1.4 Denture Stomatitis 358 22.6.1.5 Protection Against Fibrosis 359 22.6.1.6 Garlic Chewing Gum 359 22.6.1.7 Garlic Used as a Breath-Freshening Agent 359 22.7 Additional Use of Garlic in Dentistry—Oral Cancer 360 22.7.1 High Blood Pressure 361 22.7.2 Skin Disorders 362 22.7.3 Anti-Allergic 362 22.7.4 Anti-Obesity 362 22.8 Garlic Mechanism of Action 362 22.9 Conclusions and Recommendations 362 Acknowledgments 364 References 364 Part IV: Ethnobotany and Ethanopharmacology 371 23 Curative Plants Worn in the Healing of Mouth Evils 373P. Shivakumar Singh, Pindi Pavan Kumar and D. Srinivasulu 23.1 Introduction 373 23.2 Materials and Methods 374 23.3 Results and Discussion 375 23.4 Conclusion 381 Acknowledgment 381 References 381 24 Ethnopharmacological Applications of Chewing Sticks on Oral Health Care 383E. A. Akaji and U. Otakhoigbogie 24.1 Introduction 383 24.1.1 Background 383 24.1.2 Historical Perspectives 384 24.1.3 Sources and Types of Chewing Sticks 384 24.2 Applications of Chewing Sticks in Oral Health Care 384 24.2.1 Chewing Sticks for Oral Hygiene 384 24.2.2 Ethnopharmacological Applications of Chewing Sticks in Oral Health 387 24.2.2.1 Dental Caries (Tooth Decay) 387 24.2.2.2 Periodontal Disease 389 24.2.2.3 Oral Candidiasis 389 24.2.2.4 Oral Ulcers and Halitosis 390 24.2.2.5 Other Oral Conditions 390 24.3 Conclusions 390 References 391 25 Ethnomedicine and Ethnopharmacology for Dental Diseases in Indochina 393Viroj Wiwanitkit 25.1 Introduction 393 25.2 Ethnomedicine and Ethnopharmacology in Indochina 394 25.3 Locally Available Naturally Derived Dental Products in Indochina 396 25.4 Ethnopharmacology for Dental Diseases in Indochina 397 25.5 Ethnomedicine for Dental Diseases in Indochina 402 25.6 Future Trend of Ethnomedicine and Ethnopharmacology for Dental Diseases in Indochina 403 25.7 Conclusion 404 References 404 26 Traditional Medicinal Plants Used in Anti-Halitosis 407P. Shivakumar Singh, Pindi Pavan Kumar and D. Srinivasulu 26.1 Introduction 407 26.2 Materials and Methods 408 26.3 Results and Discussion 409 26.4 Conclusion 412 Acknowledgment 413 References 413 Index 415

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Book SynopsisThis book helps readers move from fundamental organic chemistry principles to a deeper understanding of reaction mechanisms. It directly relates sophisticated mechanistic theories to synthetic and biological applications and is a practical, student-friendly textbook. Presents material in a student-friendly way by beginning each chapter with a brief review of basic organic chemistry, followed by in-depth discussion of certain mechanisms Includes end-of-chapter questions in the book and offers an online solutions manual along with PowerPoint lecture slides for adopting instructors Adds more examples of biological applications appealing to the fundamental organic mechanisms Table of ContentsPreface xv First Edition Preface xvii 1 Fundamental Principles 1 2 The Aliphatic C─H Bond Functionalization 53 3 Functionalization of the Alkene C=C Bond by Electrophilic Additions 95 4 Functionalization of the Alkene C=C Bond by Cycloaddition Reactions 143 5 The Aromatic C─H Bond Functionalization and Related Reactions 199 6 Nucleophilic Substitutions on sp3-Hybridized Carbons: Functional Group Transformations 257 7 Eliminations 317 8 Nucleophilic Additions and Substitutions on Carbonyl Groups 367 9 Reactivity of the α-Hydrogen to Carbonyl Groups 417 10 Rearrangements 457 Index 493

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Book SynopsisRecent developments have provided the opportunity to recover valuable materials from AMD treatment; this is a sustainable approach that allows to reduce waste while generating incomes that balance the cost of the treatment. This book provides insights to innovative and affordable routes for AMD valorisation that can certainly motivate the mining industry to effectively manage their wastes and minimize environmental impact while generating jobs opportunities.Table of ContentsPreface xiii Part 1: Prediction and Prevention of AMD Formation 1 1 Management of Metalliferous Solid Waste and its Potential to Contaminate Groundwater: A Case Study of O’Kiep, Namaqualand South Africa 3Innocentia G. Erdogan, Elvis Fosso-Kankeu, Seteno K.O. Ntwampe, Frans B. Waanders and Nils Hoth List of Abbreviations 4 1.1 Introduction 4 1.2 CMMs: Overview and Challenges 5 1.3 Metalliferous Solid Waste 6 1.3.1 Stockpiled Overburden Materials 6 1.3.2 Stockpiled Metalliferous Waste 7 1.3.3 Metalliferous Tailings 8 1.4 Environmental and Social Impact of CMMs and MSW 10 1.5 Soil Contamination 12 1.6 Groundwater Contamination 12 1.7 Atmospheric Contamination 12 1.8 Metalliferous Solid Waste Management 13 1.9 Rehabilitation and Restoration Strategies 13 1.10 ARD Formation and Groundwater Contamination 14 1.11 Overview of Challenges Associated with CMMs 15 1.12 Conclusion 16 References 16 2 Mine Water Treatment and the Use of Artificial Intelligence in Acid Mine Drainage Prediction 23Viswanath Ravi Kumar Vadapalli, Emmanuel Sakala, Gloria Dube and Henk Coetzee List of Abbreviations 23 2.1 Acid Mine Drainage (AMD) 24 2.1.1 AMD Generation 24 2.1.2 Factors Controlling AMD Generation 25 2.2 Remediation of AMD 27 2.2.1 Introduction 27 2.2.2 Passive Treatment of AMD 27 2.2.3 Active Treatment of AMD 29 2.2.4 Challenges With Current AMD Treatment 32 2.2.5 Value Recovery From AMD Treatment 33 2.3 Prediction of AMD 34 2.3.1 Limitations of Predictive Tools 35 2.4 Application of Artificial Intelligence for AMD Quality Prediction 36 2.4.1 Introduction 36 2.4.2 Different AI Techniques Used to Predict AMD Quality 37 2.4.3 Limitations of AI Techniques in Prediction of AMD Quality 38 2.4.4 Case Study—Ermelo Coalfield, South Africa 39 2.5 Conclusions 40 References 41 3 The Prediction of Acid Mine Drainage Potential Using Mineralogy 49Deshenthree Chetty, Olga Bazhko, Veruska Govender and Samuel Ramatsoma 3.1 Introduction 49 3.2 Mineralogical Approach for Prediction of AMD Potential 51 3.2.1 AMD Chemistry for Maximum Acid Generation or Consumption Potential 51 3.2.2 Mineral Modal Abundance 54 3.2.3 Mineral Reactivity 54 3.2.4 Mineral Liberation 56 3.2.5 Calculation of the AMD Potential 57 3.3 Application of the AMD Predictive Protocol 58 3.3.1 Experimental Procedures 59 3.3.2 Results and Discussion 60 3.4 Conclusions and Further Work 67 References 68 4 Oxidation Processes and Formation of Acid Mine Drainage from Gold Mine Tailings: A South African Perspective 73Bisrat Yibas 4.1 Introduction 73 4.2 Weathering and Oxidation of the Witwatersrand Gold Tailings 74 4.3 Water Infiltration and Oxygen Diffusion vs Oxidation Processes 76 4.3.1 Hydrogeology of Tailings Storage Facilities 76 4.3.1.1 Introduction 76 4.3.1.2 Primary Hydraulic Characteristics 78 4.3.1.3 Geological Structures as Preferential Flow Paths 80 4.3.2 Oxygen Diffusion 82 4.4 Geochemical and Mineralogical Evolution 84 4.4.1 Tailings Geochemistry and Mineralogy 84 4.4.2 Pore Water Geochemistry 86 4.5 Discussion, Conclusion, and Recommendations 89 4.5.1 Discussion 89 4.5.1.1 Mapping of the Oxidation Zones in Tailings Dams 89 4.5.1.2 Hydrogeological Situation 90 4.5.1.3 Oxygen Diffusion With Depth 90 4.5.1.4 Mineralogical and Geochemical Evolution of Tailings 91 4.5.1.5 Evolution of Pore Water Chemistry 91 4.5.1.6 Oxidation Processes and Drainage Formation 91 4.5.2 Conclusions 92 4.5.3 Recommendations 93 Acknowledgements 93 References 94 Part 2: AMD Treatment 97 5 Technologies that can be Used for the Treatment of Wastewater and Brine for the Recovery of Drinking Water and Saleable Products 99Tumelo Monty Mogashane, Johannes Philippus Maree, Munyaradzi Mujuru and Mabel Mamasegare Mphahlele-Makgwane 5.1 Introduction 100 5.1.1 Formation of Acid Mine Water 100 5.1.2 Water Volumes 100 5.1.3 Legislation 101 5.1.4 Government Initiatives 102 5.1.5 Required Criteria 103 5.2 Neutralization Technologies 103 5.2.1 Neutralization Using Lime 103 5.2.1.1 Conventional Treatment With Lime 103 5.2.1.2 High-Density Sludge Process 104 5.2.2 Limestone Neutralization 105 5.2.3 Limestone Handling and Dosing System 106 5.2.4 Utilization of Alkali in Mine Water for Removal of Iron(II) 107 5.2.5 Modeling 107 5.2.6 Lime/Limestone Neutralization 109 5.2.6.1 Description of the Process 109 5.2.6.2 Removal of H2SO4, Fe3+, and Al3+ with Limestone 110 5.2.6.3 Removal of H2SO4, Fe3+, Al3+, and Fe2+ with Limestone 111 5.3 Chemical Desalination 111 5.3.1 SAVMIN 111 5.3.2 Barium Sulfate Treatment Process 112 5.4 Membrane Processes 115 5.4.1 Reverse Osmosis 115 5.4.2 NF Technologies 117 5.4.3 High Recovery Precipitating Reverse Osmosis (HiPRO®) Process 117 5.4.4 Electrodialysis 120 5.4.5 Vibration Shear Enhanced Process 121 5.4.6 Multi-Effect Membrane Distillation 122 5.4.7 Forward Osmosis Desalination 122 5.4.8 Biomimetic Desalination—Aquaporin Proteins 123 5.4.9 Carbon Nanotube Distillation 123 5.5 Ion-Exchange Technologies 124 5.5.1 Introduction 124 5.5.2 Conventional Ion-Exchange 125 5.5.3 The GYP-CIX 125 5.5.4 KNeW 125 5.6 Biological Processes 126 5.6.1 Background 126 5.6.2 Biological Sulfate Reduction 127 5.6.3 Constructed Bioreactors 128 5.6.4 Paques Technologies 129 5.6.5 BioSURE Technology 130 5.6.6 The VitaSOFT Process 131 5.6.7 In Situ Reactor 132 5.6.8 Constructed Aerobic Wetlands 133 5.6.9 Permeable Reactive Barriers 133 5.6.10 General Aspects and Various Passive Technologies 133 5.7 Electrochemical Processes 135 5.7.1 Electrocoagulation 135 5.7.2 Nanoelectrochemical Process for the Treatment of AMD 135 5.8 Freezing-Based Technologies 136 5.8.1 Basics 136 5.8.2 Eutectic Freeze Crystallization 136 5.8.3 HybridICE™ Technology 136 5.9 Sludge Processing 137 5.9.1 Background 137 5.9.2 Recovery of Saleable Products or Raw Materials 138 5.10 Integrated Processes—ROC Process 138 5.10.1 Background 138 5.10.2 Process Description 139 5.11 Feasibility Models 140 5.11.1 Introduction 140 5.11.2 Feasibility of Individual Stages 142 5.11.2.1 Neutralization Technologies 142 5.11.2.2 Desalination Technologies 143 5.11.2.3 Brine Treatment 149 5.11.2.4 Product Recovery 149 5.11.3 Feasibility of Various Process Configurations 149 5.12 Conclusions 150 Acknowledgements 150 References 151 Part 3: Recovery of Values from AMD 157 6 Recovery of Ochers from Acid Mine Drainage Treatment: A Geochemical Modeling and Experimental Approach 159Khathutshelo Netshiongolwe, Yongezile Mhlana, Alseno Mosai, Heidi Richards, Luke Chimuka, Ewa Cukrowska and Hlanganani Tutu 6.1 Introduction 159 6.2 Methodology 162 6.2.1 Simulation Studies—Model Setup as an Experimental Design Approach 162 6.2.2 Experimental Studies 164 6.2.2.1 Experiment 1 164 6.2.2.2 Using NaOH as a Neutralizing Agent 165 6.2.2.3 Addition of Ferrocyanide to Mineral Salts Used to Simulate AMD (Experiment 2) 165 6.2.2.4 Using MgCO3 as a Neutralizing Agent 166 6.2.3 Characterization of Fe Oxides 166 6.3 Results and Discussion 166 6.3.1 Simulation Studies 166 6.3.1.1 Individual Neutralizing Agents 166 6.3.1.2 Combined Neutralizing Agents 167 6.3.1.3 Equilibrating with CO2 168 6.3.1.4 Equilibrating with O2 168 6.3.1.5 Fixed pH 169 6.3.1.6 Varying Temperature 169 6.3.1.7 Varying Concentrations of Neutralizing Agents 169 6.3.2 Characterization of HDS 169 6.3.2.1 Aims and Dry Matter 169 6.3.2.2 Physical Characterization of HDS 170 6.3.2.3 Chemical Characterization of HDS 170 6.3.2.4 Mineralogy and Chemical Composition of HDS 170 6.3.3 Experimental Studies 172 6.3.3.1 Procedure Description 172 6.3.3.2 Formation of Precipitates 172 6.3.3.3 Characterization of Fe Precipitates 182 6.3.3.4 Application in Paintings and Artwork 183 6.3.3.5 Water Chemistry 183 6.4 Indicative Cost Analysis 184 6.5 Conclusion 185 Acknowledgements 185 References 185 7 Innovative Routes for Acid Mine Drainage (AMD) Valorization: Advocating for a Circular Economy 189Vhahangwele Masindi and Memory Tekere 7.1 Introduction 190 7.1.1 Problem Description 190 7.1.2 Physico-Chemical-Microbiological Properties of AMD 191 7.2 Health Effects Associated with Contaminants in AMD 193 7.3 Abatement of AMD 194 7.4 Techniques for AMD Treatment 195 7.4.1 Overview 195 7.4.2 Chemical Precipitation 195 7.4.3 Adsorption 197 7.4.4 Filtration 198 7.4.4.1 Introduction to Membrane Technologies 198 7.4.5 Phyto Remediation 201 7.4.5.1 Theory of the MD Process 201 7.4.6 Phytoremediation 202 7.5 Valorization of AMD 202 7.5.1 Aims of Valorization 202 7.5.2 Reclamation of Drinking Water 203 7.5.3 Recovery of Valuable Minerals 203 7.5.4 Synthesis of Valuable Minerals 204 7.6 Case Study 204 7.7 Challenges Relating to Valorization 208 7.8 Conclusions and Future Perspectives 208 References 209 8 Recovery of Critical Raw Materials from Acid Mine Drainage (AMD): The EIT-Funded MORECOVERY Project 219Carlos Ruiz Cánovas, Jose Miguel Nieto, Francisco Macías, Maria Dolores Basallote, Manuel Olías, Rafael Pérez-López and Carlos Ayora 8.1 Introduction 219 8.2 Recovery of CRMs from AMD 222 8.3 Upscaling of Successful Technologies and Economic Suitability 224 8.4 Coupling Environmental and Resources Policy: The EIT-Funded MORECOVERY Project 225 Acknowledgements 231 References 231 9 Deriving Value from Acid Mine Drainage 235M. van Rooyen and P.J. van Staden 9.1 Introduction 235 9.2 AMD Formation 237 9.3 AMD Treatment Options 238 9.3.1 General Philosophy 238 9.3.2 High-Density Sludge Neutralization of AMD 239 9.3.3 Sulfate Removal Options 240 9.3.3.1 Reverse Osmosis 240 9.3.3.2 Ettringite Precipitation 243 9.3.3.3 Barium Carbonate Addition 245 9.3.3.4 Biological Sulfate Reduction 246 9.4 Deriving Value from AMD 247 9.4.1 Fit-for-Use Water 247 9.4.1.1 The Cascade Model 247 9.4.1.2 Water Suitable for Irrigation 248 9.4.1.3 Water Suitable for Industrial Use 249 9.4.1.4 Water Suitable for Environmental Discharge 249 9.4.1.5 Water Suitable for Sanitation 249 9.4.1.6 Potable Water 249 9.4.1.7 Cooling Water 249 9.4.1.8 Boiler Water 250 9.4.2 By-Products from AMD Treatment Processes 251 9.4.2.1 Overview 251 9.4.2.2 Gypsum Containing Products 251 9.4.2.3 High-Value Iron-Bearing Products 252 9.4.2.4 Uranium and Base Metals 253 9.4.2.5 Hydrogen 255 9.5 Synopsis 255 9.5.1 AMD Remediation 255 9.5.2 Deriving Value From AMD 256 References 259 10 Rare Earth Elements—A Treasure Locked in AMD? 263Leon Krüger 10.1 AMD—Annoyance or Resource 263 10.2 Rare Earths—The Almost Forgotten Elements! 264 10.3 Characteristics—What is with the f-Orbitals? 265 10.4 Applications—Sweating the Unique Characteristics 271 10.4.1 Introduction 271 10.4.2 Rare Earths as Process Enablers 271 10.4.2.1 Catalysis 271 10.4.2.2 Physical Metallurgy 276 10.4.2.3 Glass and Ceramic Industries 277 10.4.2.4 Medicine and Health Care 280 10.4.3 Rare Earths as Technology Building Blocks 283 10.4.3.1 Permanent Magnets 283 10.4.3.2 Energy Storage 287 10.4.3.3 Phosphors 293 10.4.3.4 Glass Additives 295 10.4.3.5 Lasers 298 10.5 Occurrence—From Magma to AMD 303 10.6 REEs—From AMD to High Technology? 308 Acknowledgements 308 References 309 11 Opportunities and Challenges of Re-Mining Mine Water for Resources 315Martin Mkandawire 11.1 Introduction 315 11.2 Mine Water and Drainages 316 11.2.1 Mine Water in Context of This Chapter 316 11.2.2 General Mine Water Chemistry 317 11.2.3 Types of Mine Water Sources 317 11.2.3.1 Overview 317 11.2.3.2 Flooded Underground Mine Pool 318 11.2.3.3 Flooded Opencast Lakes 318 11.2.3.4 Leachates 319 11.2.4 Drainages of Mine Water 321 11.2.4.1 Acid Mine Drainage 321 11.2.4.2 Alkali Mine Drainage 322 11.3 Potential Extractable Resources 323 11.3.1 Water Supply 323 11.3.1.1 Opportunities 323 11.3.1.2 Applicable Extraction Methods 323 11.3.1.3 Challenges 324 11.3.1.4 Counter Options 324 11.3.2 Thermal Resource 325 11.3.2.1 Opportunities 325 11.3.2.2 Applicable Extraction Methods 326 11.3.2.3 Challenges 328 11.3.2.4 Counter Options 328 11.3.3 Electricity Generation Prospects 330 11.3.3.1 Opportunities 330 11.3.3.2 Applicable Extraction Methods 330 11.3.3.3 Challenges 334 11.3.3.4 Counter Options 335 11.3.4 Mineral Resource Extraction 335 11.3.4.1 Opportunities 335 11.3.4.2 Applicable Extraction Methods 336 11.3.5 Re-Mining Mine Water Treatment Sludge 336 11.3.5.1 Opportunities 336 11.3.5.2 Applicable Extraction Methods 340 11.3.5.3 Challenges 341 11.3.5.4 Counter Options 342 11.3.6 Mine Methane Gas Extraction 342 11.3.6.1 Opportunities 342 11.3.6.2 Applicable Extraction Methods 343 11.3.6.3 Challenges 346 11.3.6.4 Counter Options 347 11.4 Conclusion 347 References 347 Index 351

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Book SynopsisThe alarming level of greenhouse gases in the environment, fast depleting natural resources and the increasing level of industrial effluents, have made every single manufacturing activity come under the scrutiny of sustainability. When all kinds of waste such as clothes, furniture, carpets, televisions, shoes, paper, food wastes etc. end up in the landfill, only a few of them are naturally decomposed and thus a large majority remains as non-biodegradable. It is for this reason, efforts are concentrated to reduce the burden on earth by this waste, and as far as used textile products are concerned, there are now attempts to recycle or up-cycle. This book addresses the role of sustainability by using textile waste in fashion and textiles with respect to manufacturing, materials, as well as the economic and business challenges and opportunities it poses. This wide-ranging book comprises 19 chapters on the various topics including: Solutions for sustainable fashion and texTable of ContentsPreface xxi 1 Overview on Recycling from Waste in Fashion and Textiles: A Sustainable and Circular Economic Approach 1Pintu Pandit, Kunal Singha, Sanjay Shrivastava and Shakeel Ahmed 1.1 Introduction 2 1.2 Importance of Recycling 3 1.3 Challenges in Designing With Post-Consumer Clothing and Benefits of Recycling 4 1.4 The Market for Upcycled Fashion Garments 6 1.5 Recycling Fashion Manufacturers 6 1.6 Sustainable Fibers and Technologies in Textiles and Fashions 7 1.7 The Circular Economy 9 1.8 The Main Characteristic of the Economy 9 1.9 Eco-Labels Concerning Bringing Sustainability 12 1.10 Technological and Sustainable Measures Under Fashion Industry 13 1.11 Consumer Consciousness Along With Corporate Social Obligation 13 1.12 Sharing Economy and Collaborative Consumption 14 1.13 Technological Amendments in Textiles Making It More User Friendly and Environment Friendly 15 1.14 Conclusions 16 2 Challenges for Waste in Fashion and Textile Industry 19Jayant Kumar, Kunal Singha, Pintu Pandit, Subhankar Maity and Amal Ray 2.1 Introduction 20 2.1.1 Annual Global Fiber Consumption (2000–2012) 21 2.2 Major Challenges in Managing Textile and Fashion Wastages 24 2.3 Usage of Renewable Resources to the Maximum 29 2.4 Increase the Life of the Product 29 2.5 Conclusions 31 3 Solutions for Sustainable Fashion and Textile Industry 33Ritu Pandey, Pintu Pandit, Suruchi Pandey and Sarika Mishra 3.1 Introduction 34 3.2 Sustainable Fashion Industry and Green Solutions 35 3.3 Recyclable Used Clothing 44 3.4 Obstacles of Fashion Reuse Businesses 46 3.5 Solutions for Sustainable Textile Industry 47 3.6 Key Points of Counter Measures for Sustainability in Textile Industry 49 3.7 Textile Waste 57 3.8 Use of Textile Production House By-Products, Chemicals, and Water 58 3.9 Textile Industry Effluent and Sludge Treatment Processes 60 3.10 Recent Trends in Wastewater Treatment 62 3.11 International Framework of Environmental Standards, Regulations, and Labels for Sustainability 64 3.12 Conclusion 69 4 Opportunities of Agro and Biowaste in Fashion Industry 73Seiko Jose, Lata Samant, Archana Bahuguna and Pintu Pandit 4.1 Introduction 74 4.2 Agro/Biowaste for Textiles 75 4.3 Agro/Biowastes for Textile Manufacturing 79 4.4 Agro/Biowastes for Textile Wet Processing 84 4.5 Conclusion 94 5 Innovating Opportunities for Fashion Brands by Using Textile Waste for Better Fashion 101Vandana Gupta, Madhvi Arora and Jasmine Minhas 5.1 Introduction 102 5.2 Textile and Apparel Industry 103 5.3 Carbon Foot Prints and Waste Generation From Textile and Apparel Industries 105 5.4 Fashion Brands Working Towards Sustainability Using Textile Waste 109 5.5 Conclusion 117 6 Challenges and Opportunities of Waste in Handloom Textiles 123Pintu Pandit, Sanjay Shrivastava, Sankar Roy Maulik, Kunal Singha and Lokesh Kumar 6.1 Introduction 124 6.2 History of Handloom Textile Industry 126 6.3 Types of Weaving Traditions 127 6.4 Approaches to Rejuvenate the Handloom Weavers 129 6.5 The Performance-Based Factors for Handloom Sector 129 6.6 Challenges for Handloom Textile Waste 131 6.7 Opportunities Towards Handloom Textile Sector 131 6.8 Unraveling the Weaver’s Scenarios: A Case Study on Bhagaiya, Jharkhand 132 6.9 Opportunities for Handloom Weavers Using Natural Resources 139 6.10 Conclusions 147 7 Business Paradigm Shifting: Opportunities in the 21st Century on Fashion From Recycling and Upcycling 151Pintu Pandit, Kunal Singha, Lokesh Kumar, Sanjay Shrivastava and Vinayak Yashraj 7.1 Introduction 152 7.2 Importance of Recycling 152 7.3 Fast Fashion and Slow Fashion Consumers 154 7.4 Impact of Fast Fashion in the Development of Sustainable Materials 155 7.5 Sustainable Fabrics 156 7.6 Challenges in Designing With Post-Consumer Clothes 158 7.7 Market for Recycled Fashion Garments 159 7.8 Indian Upcycling/Recycling Brands: Case Study 160 7.9 International Upcycling/Recycling Brands: Case Study 161 7.10 Fashion Designers: Keeping Textiles and Fashion Alive 164 7.11 Future Prospective for the Fashion Illustration 166 7.12 Current and Future Scope of Industry 170 7.13 Conclusions 174 8 Sustainability in Fashion and Textile 177Pintu Pandit, Bhagyashri N. Annaldewar, Akanksha Nautiyal, Saptarshi Maiti and Kunal Singha 8.1 Introduction 177 8.2 Sustainability 178 8.3 Environmental and Social Impacts of Textile and Fashion Industry 180 8.4 Sustainability in Fashion and Textiles 182 8.5 Sustainable Solutions in Textile and Fashion 182 8.6 Advance Technologies 188 8.7 Eco-Labeling 189 8.8 Barriers in Sustainable Fashion and Textiles 190 8.9 Economic Issues and Product Design 190 8.10 Sustainable Fashion Fibers 190 8.11 Technological and Sustainable Measures Under the Fashion Industry 193 8.12 Conclusions 194 9 Sustainable Strategies From Waste for Fashion and Textile 199Kunal Singha, Pintu Pandit, Subhankar Maity, Rajni Srivasatava and Jayant Kumar 9.1 Introduction 199 9.2 Sustainable Fashion for Brands 203 9.3 Sustainability and Internal Organization-Marketing Strategies 204 9.4 Conclusions 210 10 Utilization of Natural Waste for Textile Coloration— Innovative Approach for Sustainability 215Pradnya Prashant Ambre and Pintu Pandit 10.1 Introduction 216 10.2 Natural Dyes for Their Soothing Shades 218 10.3 Research Studies for Potential Use of Natural Colorants 220 10.4 Functional Health Care Properties of Natural Dyes and Natural Mordants 222 10.5 Innovative Approach Towards Utilization of Natural Waste 225 10.6 Conclusion 230 11 Circular Economy in Fashion and Textile From Waste 235Subhankar Maity, Kunal Singha, Pintu Pandit and Amal Ray 11.1 Introduction 236 11.2 Linear Economy 236 11.3 Shortcomings of Linear Economy 238 11.4 Circular Economy 238 11.5 Principles of Circular Economy 241 11.6 Conclusion 248 12 Marketing Strategies for Upcycling and Recycling of Textile and Fashion 253Suruchi Pandey, Pintu Pandit, Ritu Pandey and Sanjay Pandey 12.1 Introduction 253 12.2 Marketing Mix 255 12.3 Market Analysis 259 12.4 Marketing Strategies for Upcycling and Recycling Textile and Fashion 263 12.5 Innovative Ways to Market 268 12.6 Conclusions 273 13 Economical and Sustainable Price Sensitive Fashion and Apparels Marketplace 277M. D. Teli, Pintu Pandit and Kunal Singha 13.1 Introduction 278 13.2 Sustainable Business Strategies for Fashion Industry 278 13.3 Materials and Methods 280 13.4 Low-Cost Sustainable Upcycling Based on Waste Natural Resources 289 13.5 The Sustainable Fashion Communication Model 290 13.6 Marketing Landscape of Low Cost Fashion and Apparel Consumable Products 291 13.7 Conclusions 295 14 Sustainability Innovations Coupled in Textile and Fashion 299Vikas Kumar, Kunal Singha, Pintu Pandit, Jayant Kumar and Subhankar Maity 14.1 Introduction 299 14.2 Life Cycle Perspective 300 14.3 Sustainability in Textile Industry 306 14.4 Future Textiles for Space Age Materials 315 14.5 Conclusions 317 15 Future Mobilizations and Paths of Waste—Towards Best Solution 321Subhankar Maity, Manoj Kumar Mondal, Pintu Pandit and Kunal Singha 15.1 Introduction 322 15.2 Waste Management Hierarchy 323 15.3 Textile Materials 325 15.4 Circular Economy/Zero Waste 327 15.5 Energy from Waste Strategies 336 15.6 Challenges 337 15.7 Conclusions 337 16 Golden Fiber Jute: A Treasurable Sustainable Material 341Amarish Dubey, Vinay Kumar Chauhan, Ritu Pandey, Mayank Manjul Dubey and Sanjoy Debnath 16.1 Introduction 342 16.2 Jute Cultivation, Distribution, and Production 343 16.3 Indian Jute Industry: An Overview of Glitches and Compensations 345 16.4 Environmental Aspects of Jute 346 16.5 Traditional Applications of Jute 347 16.6 Scientific Mechanical Applications of Jute 348 16.7 Electrical and Electrochemical Applications of Jute 349 16.8 Geotextile Application of Jute 350 16.9 Agro Textile Application of Jute 350 16.10 Medical Textiles Applications of Jute 351 16.11 Jute as a Replacement of Wood 352 16.12 Jute Paper Pulp 353 16.13 Bioenergy Application of Jute 353 16.14 Value Addition of Jute Fibers 355 16.15 Conclusion 356 17 Sustainable Isolation of Natural Dyes from Plant Wastes for Textiles 363Shahid Adeel, Nimra Amin, Fazal-ur-Rehman, Tanvir Ahmad, Fatima Batool and Atya Hassan 17.1 Introduction 364 17.2 Classification of Natural Dyes 364 17.3 Medicinal Uses of Natural Colorants 364 17.4 Mordanting of Natural Dye 376 17.5 Chemical Mordanting 377 17.6 Biomordanting 377 17.7 Recent Advances Used in Natural Dyes 378 17.8 Different Plant Source of Natural Dyes 381 17.9 Conclusion 385 18 Agro-Waste Applications for Bioremediation of Textile Effluents 391Shumaila Kiran, Tanvir Ahmad, Tahsin Gulzar, Asma Ashraf, Syed Ali Raza Naqvi and Saba Naz 18.1 Introduction 392 18.2 Wastewater Treatment 392 18.3 Agro-Waste Materials 393 18.4 Kinds of Agro-Waste Materials 395 18.5 Conclusion 412 19 An Insight Into Herbal-Based Natural Dyes: Isolation and Applications 423Shahid Adeel, Mahwish Salman, Ameer Fawad Zahoor, Muhammad Usama and Nimra Amin 19.1 Introduction 424 19.2 Classification of Natural Dye 424 19.3 Extraction of Natural Dye 426 19.4 Mordanting 427 19.5 Herbal-Based Dye Yielding Plants 428 19.6 Conclusion 448 References 448 Index 457

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Book SynopsisINTRODUCTION TO AEROSOL MODELLING Introduction to Aerosol Modelling: From Theory to Code An aerosol particle is defined as a solid or liquid particle suspended in a carrier gas. Whilst we often treat scientific challenges in a siloed way, aerosol particles are of interest across many disciplines. For example, atmospheric aerosol particles are key determinants of air quality and climate change. Knowledge of aerosol physics and generation mechanisms is key to efficient fuel delivery and drug delivery to the lungs. Likewise, various manufacturing processes require optimal generation, delivery and removal of aerosol particles in a range of conditions. There is a natural tendency for the aerosol scientist to therefore work at the interface of the traditional academic subjects of physics, chemistry, biology, mathematics and computing. The impacts that aerosol particles have are linked to their evolving chemical and physical characteristics. Likewise, the chemical and Table of Contents1. Introduction and the purpose of this book 2. Gas to particle partitioning 3. Thermodynamics, non-ideal mixing and phase separation 4. Chemical mechanisms and pure component particles 5. Coagulation 6. Nucleation: Formation of new particles from gases by molecular clustering 7. Box-models 8. Software optimisation Appendix: Exercises, code availability, physical constants

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Book SynopsisTable of ContentsFigures, Tables, Exhibits xi Preface xv The Authors xxi 1 A General Framework to Study Vulnerable Populations 1 Learning Objectives 1 Why Study Vulnerable Populations? 3 Models for Studying Vulnerability 7 The Vulnerability Model: A New Multilevel Conceptual Framework 15 Summary 27 Key Terms 27 Review Questions 28 Essay Questions 28 2 Community Determinants and Mechanisms Of Vulnerability 29 Learning Objectives 29 Race and Ethnicity 30 Socioeconomic Status 43 Health Insurance 68 Multiple Risk Factors 81 Summary 86 Key Terms 86 Review Questions 87 Essay Questions 87 3 Influence of Individual Risk Factors 88 Learning Objectives 88 Racial and Ethnic Disparities 89 Health Care Access 89 Health Care Quality 93 Health Status 97 Socioeconomic Status Disparities 103 Health Care Access 104 Health Care Quality 105 Health Status 108 Health Insurance Disparities 114 Health Care Access 114 Health Care Quality 116 Health Status 119 Summary 123 Key Terms 123 Review Questions 123 Essay Question 123 4 Influence of Multiple Risk Factors 124 Learning Objectives 124 Health Care Access 128 Quality of Health Care 135 Health Status 144 Summary 155 Key Terms 155 Review Questions 156 Essay Questions 156 5 Current Strategies to Serve Vulnerable Populations 157 Learning Objectives 157 Programs to Eliminate Racial and Ethnic Disparities 161 Programs to Eliminate Socioeconomic Disparities 176 Programs to Eliminate Disparities by Health Insurance 186 Summary 194 Key Terms 195 Review Questions 196 Essay Questions 196 6 Resolving Disparities in the United States 197 Learning Objectives 197 The Healthy People Initiative 198 Framework to Resolve Disparities 205 Resolving Disparities in Health and Health Care 210 Integrative Approaches to Resolving Disparities 227 Challenges and Barriers in Implementing the Strategies 236 Course of Action for Resolving Disparities 241 Summary 251 Key Terms 251 Review Questions 251 Essay Questions 251 References 253 Index 281

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Book SynopsisCONTEMPORARY ACCOUNTS IN DRUG DISCOVERY AND DEVELOPMENT A useful guide for medicinal chemists and pharmaceutical scientists Drug discovery is a lengthy and complex process that typically involves identifying an unmet medical need, determining a biological target, chemical library screening to identify a lead, chemical optimization, preclinical studies and clinical trials. This process often takes many years to complete, and relies on practitioners' knowledge of chemistry and biology, but alsoand perhaps more importantlyon experience. Improving the success rate in discovery and development through a thorough knowledge of drug discovery principles and advances in technology is critical for advancement in the field. Contemporary Accounts in Drug Discovery and Development provides drug discovery scientists with the knowledge they need to quickly gain mastery of the drug discovery process. A thorough accounting is given for each drug covered within the book, as the authors provide pharmacTable of ContentsPREFACE CONTRIBUTORS CHAPTER 1 CURRENT DRUG DISCOVERY: GREAT CHALLENGES AND GREAT OPPORTUNITY (AN INTRODUCTION TO CONTEMPORARY ACCOUNTS IN DRUG DISCOVERY AND DEVELOPMENT)Jeffrey J. Hale CHAPTER 2 ADVANCED COMPUTATIONAL MODELING ACCELERATING SMALL-MOLECULE DRUG DISCOVERY: A GROWING TRACK RECORD OF SUCCESSRobert Abel 2.1 Introduction 2.2 Essential Techniques 2.2.1 Target Validation and Feasibility Assessment 2.2.2 Hit Discovery 2.2.3 Hit-to-lead and Lead Optimization 2.3 Illustrative Applications 2.3.1 Modeling Support of Target Validation, Feasibility Assessment, and Hit Discovery for Acetyl-CoA Carboxylase (ACC) 2.3.2 Optimizing Selectivity in Lead Optimization for Tyrosine Kinase 2 2.3.3 Discovery of Novel Allosteric Covalent Inhibitors of KRASG12C 2.3.4 Supporting Hit to Lead Exploration for a Series of Phosphodiesterase 2A (PDE2A) Inhibitors 2.4 Conclusion and Future Outlook References CHAPTER 3 DISCOVERY AND DEVELOPMENT OF THE SOLUBLE GUANYLATE CYCLASE (sGC) STIMULATOR VERICIGUAT FOR THE TREATMENT OF CHRONIC HEART FAILUREMarkus Follmann, Corina Becker, Lothar Roessig, Peter Sandner, and Johannes-Peter Stasch 3.1 Introduction 3.2 sGC Stimulators as Treatment Option for Heart Failure 3.2.1 Persistent High Medical Need in High-risk Patients with Chronic HF 3.3 Medicinal Chemistry Program 3.4 Synthesis Routes towards Vericiguat 3.4.1 Medicinal Chemistry Route to Vericiguat 3.4.2 Development Chemistry Route to Vericiguat 3.5 Preclinical Studies 3.5.1 In Vitro Effects on Recombinant sGC and sGC Overexpressing Cells 3.5.2 Ex Vivo Effects on Isolated Blood Vessels and Hearts 3.5.3 In Vivo Effects in a Disease Model with Cardiovascular Disease and Heart- and Kidney Failure 3.6 Clinical Studies 3.6.1 Safety, PD, PK and PK/PD in Healthy Volunteers 3.6.2 Clinical Pharmacokinetics 3.6.3 Pharmacodynamic Interactions 3.7 Summary References CHAPTER 4 FINDING CURES FOR ALZHEMIER’S DISEASE: FROM GAMMA SECRETASE INHIBITORS TO GAMMA SECRETASE MODULATORS AND BETA SECRETASE INHIBITORSXianhai Huang, Robert Aslanian 4.1 Introduction 4.1.1 Alzheimer’s Disease 4.1.2 Alzheimer’s Disease and Amyloid Beta Theory 4.2 Gamma Secretase Inhibitors Drug Discovery and Development 4.2.1 Gamma Secretase Inhibitors Rationale 4.2.2 The Discovery of Gamma Secretase Inhibitors SCH 900229 4.2.2.1 The Discovery of 2,6-Disubstituted Piperidine Sulfonamide Gamma Secretase Inhibitors 4.2.2.2 The Discovery of Tricyclic Sulfones GSIs and a Preclinical Candidate SCH 900229 4.2.3 Gamma Secretase Inhibitors Summary 4.3 Gamma Secretase Modulator Drug Discovery and Development 4.3.1 Gamma Secretase Modulator Rationale 4.3.2 The Discovery of Oxadiazoline and Oxadiazine Gamma Secretase Modulators 4.3.2.1 The Pyrazolopyridine Series of Gamma Secretase Modulators 4.3.2.2 The Discovery of Oxadiazoline, Oxadiazine, and Oxadiazepine Gamma Secretase Modulators 4.3.2.3 Profiles of Gamma Secretase Modulator Preclinical Candidates (PCC) 4.3.3 On-going Gamma Secretase Modulators Discovery 4.4 Beta Secretase Inhibitors Overview 4.4.1 Beta Secretase Inhibitors Rationale 4.4.2 Brief Summary of Verubecestat (MK-8931) Discovery and Clinical Development 4.4.3 BACE1 Inhibitors Summary 4.5 Summary Acknowledgement References CHAPTER 5 DISCOVERY OF NOVEL ANTIVIRAL AGENTS ENABLED BY STRUCTURAL BIOLOGY, COMPACT MODULES AND PHENOTYPIC SCREENINGWei Zhu, Song Yang, Hongying Yun, and Hong C. Shen 5.1 Introduction 5.2 Discovery and Early Development of Novel Core Protein Assembly Modulators for the Treatment of chronic HBV infection 5.2.1 Introduction 5.2.2 Lead Generation and Optimization 5.2.3 Profile of Compound 3 5.2.4 Approaches to Address CYP Induction Liability 5.2.5 Conclusion 5.3 RG7834: The First-in-class Selective and Orally Bioavailable Small Molecule HBV Expression Inhibitor with a Novel Mode of Action 5.3.1 Introduction 5.3.2 The Discovery of RG7834 5.3.2.1 Lead Generation 5.3.2.2 Lead Optimization 5.3.2.3 Profile of RG7834 5.3.2.4 Target Identification 5.3.3 Conclusion 5.4 Ziresovir: the Discovery of a Highly Potent, Selective and Orally Bioavailable RSV Fusion Protein Inhibitor 5.4.1 Introduction 5.4.2 The Discovery of Ziresovir (RO-0529 OR ARK0529) 5.4.2.1 Lead Generation 5.4.2.2 Lead Optimization 5.4.2.3 Profile of Ziresovir 5.4.2.4 Mode of Action of Ziresovir 5.4.3 Clinical Studies of Ziresovir 5.5 Conclusion References CHAPTER 6 DISCOVERY OF SUBTYPE SELECTIVE AGONISTS OF THE GROUP II METABOTROPIC GLUTAMATE RECEPTORSJunliang Hao 6.1 Background 6.1.1 The Dopamine and Glutamate Hypotheses of Schizophrenia 6.1.2 The Ionotropic and Metabotropic Glutamate Receptors 6.1.3 Orthosteric Agonists of the Group II mGlu Receptors 6.1.4 Prodrug Approach to Improve Oral Bioavailability 6.1.5 Clinical Studies of 6 in Schizophrenia (via its Prodrug 7) 6.1.6 Rationale for Subtype Selective Agonists of the Group II mGlu Receptors 6.2 Discovery of Subtype Selective Agonist LY2812223 of the mGlu2 Receptor 6.2.1 Barriers to Achieve High Subtype Selectivity at the Orthosteric Site 6.2.2 Discovery of Subtype Selective Agonists for the mGlu2 Receptor 6.2.3 Additional In Vitro Characterization of 11 6.2.4 Preclinical Pharmacokinetic Profile of 11 6.2.5 Preclinical Animal Model of Psychosis 6.3 Discovery of Subtype Selective Agonist LY2794193 of the mGlu3 Receptor 6.3.1 Discovery of Subtype Selective Agonists for the mGlu3 Receptor 6.3.2 Additional In Vitro Characterization of 19 6.3.3 Preclinical Pharmacokinetic Profile of 19 6.3.4 Preclinical Animal Model 6.4 Structural Basis for Subtype Selectivity 6.4.1 Crystal Structures of hmGlu2 and hmGlu3 ATDs in Complex with 3 and L-Glu 6.4.2 Crystal Structures of hmGlu2 and hmGlu3 ATDs in Complex with 11 and 19 6.4.3 Structural Basis for the mGlu2 Subtype Selectivity of 11 and the mGlu3 Subtype Selectivity of 19 6.5 Divergent Synthesis of 11 and 19 6.6 Clinical Experience with mGlu2 Selective Agonist 11 (via Its Prodrug 12) 6.6.1 Human Plasma and CSF PK Profiles of 11 6.6.2 Biomarker 6.6.3 Safety 6.7 Conclusion References CHAPTER 7 DISCOVERY OF TASELISIB (GDC-0032): AN INHIBITOR OF PI3K WITH SELECTIVITY OVER PI3KTimothy P. Heffron, Laurent Salphati, and Steven T. Staben 7.1 Introduction 7.2 Hit to Lead Efforts 7.3 Final Lead Optimization Leading to Discovery of Taselisib: ADME Optimization and Achieving Selective Inhibition of PI3K over PI3K 7.4 Preclinical in vivo Pharmacology of Taselisib 7.5 Prediction and Clinical Assessment of Taselisib Human Pharmacokinetics 7.6 Conclusion References CHAPTER 8 DRUG DISCOVERY WITH DNA-ENCODED LIBRARY TECHNOLOGY: INHIBITOR OF SOLUBLE EPOXIDE HYDROLASE TO CLINICAL CANDIDATEYun Ding, Sarah K. Scott 8.1 Background of DNA-encode Library Technology 8.1.1 Development of Encoding Strategies 8.1.2 The Encoding Strategy at GSK 8.1.3 Development of DNA-Compatible Chemistry 8.1.4 Methods for in vitro Selection of DNA-encoded Libraries 8.1.5 Decoding, Data Analysis and Off-DNA Hit Follow up 8.2 Application of DNA-encoded Library Technology in Small Molecule Drug Discovery 8.3 Discovery of sEH Inhibitors via DNA-encoded Library Technology 8.3.1 DEL Libraries for sEH Screening 8.3.2 sEH ELT Selection 8.3.3 ELT Hit Confirmation, SAR and Hit-to-lead Optimization 8.3.4 Lead Optimization, Preclinical and Clinical Development: GSK2256294 as a Clinical Asset 8.3.5 Clinical trials with GSK2256294 8.4 Summary References CHAPTER 9 DISCOVERY OF HTL26119: FAMILY B GPCR STRUCTURE-BASED DRUG DESIGN IS NOW A REALITYAndrea Bortolato, Jonathan S. Mason 9.1 Introduction 9.2 G Protein-Coupled Receptor Structure Based Drug Discovery 9.3 The Beginning of the Family B GPCR Structural Biology Revolution 9.4 Lessons Learned from the Corticotropin-Releasing Factor Receptor Type 1 Crystal Structure 9.5 Structural Understanding of Glucagon and GLP1 Receptor Activation 9.6 Hyperinsulinaemic Hypoglycaemia 9.7 GLP1 Receptor Negative Allosteric Modulator Lead Identification 9.8 GLP1 Receptor Negative Allosteric Modulator Lead Optimization 9.9 Conclusion References CHAPTER 10 DISCOVERY AND POTENTIAL APPLICATION OF [11C]MK-6884: A POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENT FOR THE STUDY OF M4 MUSCARINIC RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMs) IN NEURODEGENERATIVE DISEASESLing Tong, Wenping Li 10.1 Introduction 10.1.1 Positron Emission Tomography 10.1.2 Muscarinic Acetylcholine Receptor 4 (M4) Positive Allosteric Modulator 10.2 Discovery of a Selective PET Tracer for M4 PAM 10.2.1 Criteria for a PET Tracer 10.2.2 PET Feasibility Study 10.2.3 PET Specific Signal is Driven by an Increase in Binding Affinity 10.2.4 The Implication of Lipophilicity and Free Fraction on in vivo BPND 10.2.5 Fluorine-18 Labeling Opportunity 10.3. A PET Tracer That Images M4 in Rat 10.4. Characterization of [11C]10 as a PET Tracer Preclinical Candidate (PCC) for Human Use 10.5 Development of [11C]MK-6884 Acknowledgement References CHAPTER 11 TARGETED PROTEIN DEGRADATION BY PROTEOLYSIS TARGETING CHIMERAS (PROTACs): A REVOLUTION IN SMALL MOLECULE DRUG DISCOVERYWu Du 11.1 The Concept of Targeted Protein Degradation 11.1.1 Introduction 11.1.2 The Ubiquitin-Proteasome System 11.1.3 Targeted Protein Degradation by Proteolysis Targeting Chimeras (PROTACs) 11.2 The Advances of with PROTACs 11.2.1 Proof of Concept and Early Peptide Based PROTACs 11.2.2 Small Molecule Based PROTACs: the Discovery of VHL and CRBN E3 Ligands 11.2.3 Ligands for E3 Ligase 11.2.4 Mechanistic Considerations: the Ternary Complex and the Kinetics 11.2.5 Androgen Receptor (AR) PROTACs: a Case Study 11.2.6 Novel PROTACs: Self-assembled Click-formed PROTACs (CLIPTACs), Photo-chemically Controlled PROTACs (PHOTACs), Antibody-PROTAC Conjugates 11.2.7 Examples of Small Molecule Based PROTACs 11.3 Pharmacokinetics and Oral Absorption Challenge 11.4 PROTACs in Clinical Development 11.4.1 Androgen Receptor Targeting PROTAC ARV-110 11.4.2 Estrogen Receptor Targeting PROTAC ARV-471 11.5 Challenges and Perspectives Acknowledgments References CHAPTER 12 ENTREPRENEURIAL DRUG HUNTER: MACROCYCLIC PEPTIDE MODALITIESTomi Sawyer 12.1 Introduction 12.2 Macrocyclic Peptide Modalities in Retrospect 12.3 Receptor and Extracellularly Targeted Macrocyclic Peptides 12.4 Intracellular Protein-protein Interaction Targeted Macrocyclic Peptides 12.5 Macrocyclic Peptide Advancement to Clinical Development and FDA Approval 12.6 Macrocyclic Peptide Drug Discovery Paradigm and Future Directions Acknowledgement References CHAPTER 13 APPLICATION OF PYRROLOBENZODIAZEPINE (PBD) IN ANTIBODY DRUG CONJUGATESNing Zou, Amy Han 13.1 Introduction 13.2 Antibody drug conjugating with PBD payloads 13.2.1 SG-3199 (payload), SG-3249 (linker-payload), and SG-3199 Based ADCs 13.2.1.1 ADCT-301 13.2.1.2 ADCT-401 13.2.1.3 ADCT-402 13.2.1.4 ADCT-502 13.2.1.5 ADCT-602 13.2.1.6 Rovalpituzumab Tesirine (Rova-T) 13.2.1.7 ADCT-601 13.2.1.8 MEDI2228 13.2.1.9 TR1801-ADC (MT-8633) 13.2.2 SGD-1882 (payload), SGD-1910 (linker-payload), and SGD-1882 Based ADCs 13.2.2.1 SGN-CD33A (Vadastuximab Talirine) 13.2.2.2 SGN-CD70A 13.2.2.3 SGN-CD19B 13.2.2.4 SGN-CD123A 13.2.2.5 SGN-CD352A 13.2.2.6 ABBV-176 13.2.2.7 ABBV-321 13.2.3 IGN Payloads-based ADCs 13.2.3.1 IMGN779 13.2.3.2 IMGN632 13.2.3.3 TAK-164 13.2.4. Other PBD-based Payload ADCS 13.2.4.1 PBD-MA 13.2.4.2 Pyrridinobenzodiazepines (PDDs) 13.2.4.3 Isoquinolidinobenzodiazepine Dimers (IQBs) 13.2.4.4 PBD-Duocarmycin Dimers 13.2.4.5 PBD Dimer with Thio-oxophosphane Moiety 13.3 Small Molecule Drug Conjugates with pro-PBD Payloads 13.3.1 N-Substituted 1,3-Oxazolidine pro-PBD 13.3.2 Oxime Ether pro-PBD 13.4 Discussion 13.5 Conclusion References CHAPTER 14 COMBINATION THERAPY CASE STUDIES IN ANTICANCER AND ANTI-INFECTIOUS DISEASE DRUG DISCOVERY AND DEVELOPMENTXianhai Huang, David Yu-Kai Chen 14.1. Introduction 14.1.1. Combination Therapy in Anticancer Drug Discovery and Development 14.1.2. Combination Therapy in Antibacterial Drug Discovery and Development 14.2. Case Study of Olaparib (Lynparza®) and Bevacizumab (Avastin®) Combination in the Treatment of Advanced Ovarian Cancer 14.2.1. Discovery and Development History of Olaparib and Bevacizumab in the Treatment of Ovarian Cancer 14.2.1.1 Discovery and Development History of Olaparib in the Treatment of Ovarian Cancer 14.2.1.2 Discovery and Development History of Bevacizumab in the Treatment of Ovarian Cancer 14.2.2. Rational Design of Olaparib and Bevacizumab Combination 14.2.3. Olaparib and Bevacizumab Combination in Clinical Studies 14.2.3.1. Phase I Clinical Studies of the Olaparib and Bevacizumab Combination 14.2.3.2. Phase II Clinical Studies of Olaparib and Bevacizumab Combination 14.2.3.3. Phase III Clinical Studies of Olaparib and Bevacizumab Combination 14.2.4. Summary of the Olaparib and Bevacuzimab Combination 14.3. Case Study of Ceftazidime and Avibactam Combination (Avycaz®) in the Treatment of Complicated Urinary Tract Infections (cUTIs) and Intra-Abdominal Infections (cIAIs) 14.3.1. Brief History of the Discovery of Ceftazidime and Avibactam and the Rational for the Combination of Ceftazidime and Avibactam in the Treatment of Complicated Urinary Tract Infections (cUTIs) and Intra-Abdominal Infections (cIAIs) 14.3.2. PK, Safety and Tolerability of Ceftazidime and Avibactam Combination in Phase I Human Clinical Trials 14.3.3. Clinical Efficacy of the Ceftazidime and Avibactam Combination 14.3.3.1. Ceftazidime and Avibactam Combination Phase II Clinical Trials 14.3.3.2. Ceftazidime and Avibactam Combination Phase III Clinical Trials 14.3.3.2.1 Ceftazidime and Avibactam Combination Phase III Clinical Trials in the Treatment of cUTI 14.3.3.2.2 Ceftazidime and Avibactam Combination Phase III Clinical Trials in the Treatment of cIAI 14.3.3.2.3 Ceftazidime and Avibactam Combination Phase III Clinical Trials in the Treatment of Nosocomial Pneumonia and Ventilator-Associated Pneumonia 14.3.3.2.4 Ceftazidime and Avibactam Combination Phase III Clinical Trials in the Treatment of Pediatric Patients with cUTI and cIAI 14.3.4. Summary of Ceftazidime and Avibactam Combination 14.4. Combination Therapy Future Perspectives References CHAPTER 15 ACCELERATING DRUG DISCOVERY AND DEVELOPMENT: TRANSLATIONAL MEDICINE IN COMBATING THE COVID19 PANDEMICXianhai Huang, David Yu-Kai Chen, and Haifeng “Wayne” Tang 15.1. Introduction to Translational Medicine 15.2. From Bench to Bedside: Translating Basic Research into Desirable Clinical Outcomes for COVID-19 Treatments 15.2.1. The Importance of Diagnostic Biomarkers in Speeding up Testing to Contain the Spread of the COVID-19 Virus 15.2.1.1. The Polymerase Chain Reaction (PCR) Test 15.2.1.2. The Antigen Test 15.2.1.3. The Antibody (Serological) Test 15.2.2. The Discovery and Clinical Development of Remdesivir in the Era of the COVID-19 Pandemic 15.2.3. COVID-19 Virus Targeting Antibody Discovery and Development 15.2.4. Accelerated Vaccine Development for COVID-19 Prevention 15.3. From Bedside to Bench: Accelerating Drug Discovery and Development in Treating COVID-19 15.3.1. The Need for an Inhaled Formulation of Remdesivir 15.3.2. Overcoming Cytokine Storm in COVID-19 Treatment 15.4. Translational Medicine Summary References APPENDIX I MONOCLONAL ANTIBODY DRUG DISCOVERY AND DEVELOPMENT PARADIGM APPENDIX II GLOSSARY APPENDIX III ABBREVIATIONS INDEX

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Book SynopsisOne of the very few books devoted to the chemistry, materials and processing of liquid silicone rubber The scientific literature with respect to liquid silicone rubber is collected in this monograph. The text focuses on the fundamental issues such as properties, curing methods, special materials, as well as the latest developments, and provides a broad overview of the materials used therein. In particular, materials and compositions for liquid functional rubbers are discussed. Methods of curing and special properties are also described, such as tracking and erosion resistance, adhesion properties, storage and thermal stability. Methods of curing are precision casting, hybrid additive manufacturing, peroxide curing, ultraviolet curing, liquid injection moulding, or hot embossing. The book includes applications including automotive and underwater applications, electrical and optical uses, as well as medical uses.Table of ContentsPreface xi 1 Materials 1 1.1 History 1 1.2 Properties 1 1.2.1 Tracking and Erosion Resistance 1 1.2.2 Enhancing Strength 4 1.2.3 Surface Treatment 7 1.2.4 Adhesion Properties 12 1.2.5 Pressure-Sensitive Adhesive Film 17 1.2.6 Storage Stability 20 1.2.7 Thermal Stability 21 1.2.8 Hydrophobed Pyrogenic Silica Filler 22 1.2.9 Superhydrophobic Materials 22 1.2.10 Thermally Conductive Materials 24 1.2.11 Shape-Memory Materials 26 1.2.12 Thermally Conductive Grease 27 1.2.13 Self-Healing Materials 29 1.2.14 Flame Retardancy 31 1.3 SpecialMaterials 34 1.3.1 Borosilicones and Viscoelastic Silicone Rubbers 34 1.3.2 Acrylo-Polyhedral Oligomeric Silsesquioxane 39 1.3.3 Cellulose Nanocomposites 40 1.3.4 Fluorine-Containing Poly(phenylsilsesquioxane) 40 1.3.5 Silicone Rubber Overmolded Poly(carbonate)s 41 1.3.6 Urethane-Containing Silane 42 1.3.7 Glass Fiber Fabric 44 1.3.8 Foams 46 1.3.9 Addition Type Liquid Phenyl Silicone Rubber 48 1.3.10 Organic Foaming Agent 50 1.3.11 Foams without Chemical Blowing Agents 52 1.3.12 Epoxy-Silicone Copolymer 53 References 57 2 Methods 63 2.1 Special Curing Methods 63 2.1.1 Precision Casting 63 2.1.2 Hybrid Additive Manufacturing 64 2.1.3 Peroxide Curing 64 2.1.4 Ultraviolet Curing 68 2.1.5 Addition-Curable Compositions 70 2.1.6 Liquid Injection Molding 72 2.1.7 Hot Embossing 73 2.2 Hydrosilylation Catalysts 73 2.3 Recoating Methods 74 2.4 Shaped Elastomeric Bodies 75 2.4.1 Tailoring of Elastomers 77 2.4.2 Reinforcement of Elastomers 78 References 81 3 Automotive and Underwater Applications 85 3.1 Automotive Applications 85 3.1.1 Turbocharger Hose 85 3.1.2 Automotive Airbags 87 3.1.3 Silicone Rubber Sponge 107 3.1.4 Dilatant Fluid 111 3.1.5 Thermally Conductive Adhesive Composition 112 3.1.6 Automobile Exhaust Systems 115 3.2 Underwater Vehicles 116 3.2.1 Buoyancy Control Device 116 References 118 4 Electrical and Optical Uses 121 4.1 Electrically Conductive Silicone Rubber 121 4.1.1 Conductive Liquid Silicone Rubber-Based Composites 122 4.1.2 Effect of Shape and Size of Nickel-Coated Particles on Conductivity 123 4.2 High-Voltage Insulation 124 4.2.1 Platinum Catalyst and Nitrogen-Containing Silane 124 4.2.2 Amine-Containing MQ Silicone Resin 125 4.2.3 Tracking and Erosion Requirements 126 4.3 Silicone Rubber Composite Insulators 127 4.3.1 Electrical Insulator 128 4.3.2 Liquid Silicone Rubber Exposed to Acid Fog 137 4.3.3 Tracking and Erosion Resistance 139 4.3.4 ColorFading 140 4.3.5 Improving Tracking Resistance and Flame Retardancy 140 4.4 ElectromagneticWave Absorber 143 4.5 Suppression of Surface Charge 143 4.5.1 Outdoor Insulation Materials 143 4.5.2 Antistatic Compositions 144 4.6 Heat Dissipation Devices 148 4.6.1 Liquid-Encapsulation Heat Dissipation Member 149 4.6.2 Loop Heat Pipe 149 4.7 Optical Fiber Sensor 152 4.8 Optical Semiconductor Device 153 4.9 Light-Emitting Devices 154 4.9.1 Composition for a Light-Emitting Diode 154 4.9.2 Encapsulating Materials 156 4.9.3 Waterproof LED Lamp 157 4.9.4 High Precision Optics 158 4.10 Capacitance Sensors 159 4.11 Dielectric Elastomer Transducers 159 4.12 SolarCells 161 4.12.1 Foamed Sealing Materials 163 4.13 Portable Electronic Devices 164 4.14 Cable Accessories 165 4.14.1 Water DiffusionModel 165 4.14.2 Cold Shrink Splices 166 4.14.3 Lubricious Cable Jackets for Medical Uses 168 4.15 Electrophotography 173 4.15.1 Electrophotographic Fixing Device 173 4.15.2 Electrophotographic Copy Machine 175 4.16 Secondary Battery Pack 185 4.17 Pressure and Temperature Sensor 189 4.18 Piezoresistive Device 191 4.19 Proton Exchange Membrane Fuel Cells 193 4.19.1 Degradation Experiments 193 4.20 Light-Emitting Diodes 196 4.21 Recycling of Used Composite Electric Isolators 197 4.22 Triboelectric Nanogenerator for Wearable Electronics 198 4.23 Large Specific Surface Area Electrodes 199 4.24 Casing 199 References 201 5 Medical Uses 209 5.1 Sensors for Medical Application 209 5.1.1 Piezoresistant Sensor 209 5.1.2 Pressure Sensor 211 5.1.3 Flexible Pressure Sensor 212 5.1.4 Intraocular Pressure Sensor 213 5.1.5 RodTemplate 213 5.1.6 Cupping Appliance Device 215 5.2 Materials for Medical Instruments and Uses 220 5.2.1 Wound Regeneration 220 5.2.2 Prostate Brachytherapy 221 5.2.3 Breast Implants 222 5.2.4 Implant with Reinforcing Fibers 223 5.2.5 Hair Implants 224 5.2.6 Nasal Implants 227 5.2.7 Injectable Implants 227 5.2.8 3D Printing of Medical Implants 229 5.2.9 Voice Prostheses 230 5.2.10 Implantable Medical Leads 231 5.2.11 Cochlear Electrode Array 232 5.2.12 Wear of the Total Intervertebral Disc Prosthesis 234 5.2.13 Hand-Actuated Retention Catheter 234 5.2.14 Medical Catheter 237 5.2.15 Silicone-Coated Stents 241 5.2.16 Suture Sleeve 242 5.2.17 Silicone Tubings 243 5.2.18 Fresnel Lenses 244 5.3 Biomaterials 245 5.3.1 Bioactive Peptides Grafted Silicone Dressings 245 5.3.2 Antibacterial and Antibiofouling Clay Nanotube-Silicone Composites 246 5.3.3 Biofunctionalization with Microgroove-Patterned Surface 247 5.3.4 Bionic Composites 248 5.4 Pharmaceutical Compositions 249 References 258 6 Other Uses 265 6.1 Non-aqueous Organic Product Sensor 265 6.2 Synthetic Leather 267 6.3 Two-Part Curable Composition 268 6.4 Microchannel Thermocured Silicone Rubber 270 6.5 Dry Cleaning of Surfaces 271 6.6 AdhesiveTapes 275 6.7 Capsules for Beverages 277 6.8 Usage for Toner 280 6.9 Acoustic Applications 284 6.10 High Temperature Gas Line Heater System 286 6.11 Cosmetic Compositions 290 6.11.1 Crosslinked Silicone Rubber Powder 290 6.12 SilkFibers 291 6.13 Elastic Silicone Rubber Belt 292 6.14 Recycling and Devulcanizing 295 6.15 MobileRobots 296 References 297 Index 301 Acronyms 301 Chemicals 303 General Index 308

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Book SynopsisPhotocatalysts in Advanced Oxidation Processes for Wastewater Treatment comprehensively covers a range of topics aiming to promote the implementation of photocatalysis at large scale through provision of facile and green methods for catalysts synthesis and elucidation of pollutants degradation mechanisms. This book is divided into two main parts namely Synthesis of effective photocatalysts (Part I) and Mechanisms of the photocatalytic degradation of various pollutants (Part II). The first part focuses on the exploration of various strategies to synthesize sustainable and effective photocatalysts. The second part of the book provides an insights into the photocatalytic degradation mechanisms and pathways under ultraviolet and visible light irradiation, as well as the challenges faced by this technology and its future prospects.Table of ContentsPreface xi Part 1: Synthesis of Effective Photocatalysts 1 1 Biogenic Synthesis of Metal Oxide Nanoparticle Semiconductors for Wastewater Treatment 3Nkgaestsi M. Ngoepe, Mpitloane J. Hato, Kwena D. Modibane and Nomso C. Hintsho-Mbita 1.1 Introduction 4 1.2 Classifications of Semiconductor Nanostructured Materials 6 1.2.1 Zinc Oxide (ZnO) Nanostructures 6 1.2.2 Titanium Dioxide Nanostructures 7 1.3 Biological Synthesis of ZnO and TiO2 Nanostructures 9 1.3.1 Synthesis of ZnO and TiO2 Using Bacteria 10 1.3.2 Preparation of ZnO and TiO2 from Plants 13 1.4 Photocatalytic Degradation of Dyes 17 1.5 Challenges of Photocatalysis 22 1.6 Conclusions: Future and Scope 23 Acknowledgments 24 References 24 2 Wastewater Treatment: Synthesis of Effective Photocatalysts Through Novel Approaches 33Tahira Qureshi, Monireh Bakhshpour, Kemal Çetin, Aykut Arif Topçu and Adil Denizli List of Abbreviations 34 2.1 Introduction 35 2.1.1 Miscellaneous Methods in Wastewater Treatment 36 2.1.2 Homogeneous Photo-Fenton for Wastewater Treatment 38 2.1.3 Heterogeneous Photocatalysis Processes for Wastewater Treatment 42 2.2 Synthesis of Photocatalytic Materials 44 2.2.1 Sol–Gel Synthesis 44 2.2.2 Hydrothermal Synthesis Process 46 2.2.3 Solvothermal Synthesis Process 47 2.2.4 Direct Oxidation Synthesis 48 2.2.5 Sonochemical Synthesis Method 48 2.2.6 Chemical Vapor Deposition Synthesis Method 49 2.2.7 Physical Vapor Deposition 50 2.2.8 Microwave Synthesis Process 51 2.2.9 Electrochemical Deposition Synthesis Process 52 2.3 Support Materials for Photocatalysis 53 2.3.1 Zeolites 53 2.3.2 Clays 54 2.3.3 Carbon Nanotubes (CNTs) 54 2.3.4 Additional Supports 55 2.4 Life Cycle Assessment of Photocatalytic Water Treatment Processes 56 2.5 Summary 57 References 58 3 Metal–Organic Frameworks as Possible Candidates for Photocatalytic Degradation of Dyes in Wastewater 65Thabiso C. Maponya, Mpitloane J. Hato, Kwena D. Modibane and Katlego Makgopa 3.1 Introduction 66 3.2 Wastewater Treatment Methods 67 3.3 Photocatalysis 69 3.3.1 Background 69 3.3.2 Photocatalysts for Wastewater Treatment 69 3.4 Metal–Organic Frameworks 71 3.4.1 History and Discovery of MOFs 72 3.4.2 Structure of Metal–Organic Frameworks 72 3.4.3 Preparation of Metal–Organic Frameworks 75 3.4.3.1 Hydro/Solvothermal Synthesis 75 3.4.3.2 Microwave-Assisted Synthesis 76 3.4.3.3 Mechanochemical Process 77 3.4.3.4 Post Synthesis 78 3.4.5 Applications 79 3.4.6 MOFs for Photocatalytic Degradation 79 3.5 Conclusions 83 Acknowledgments 83 References 84 Part 2: Mechanisms of the Photocatalytic Degradation of Various Pollutants 93 4 Photocatalytic Degradation of Toxic Pesticides: Mechanistic Insights 95Akeem Adeyemi Oladipo, Mustafa Gazi, Ayodeji Olugbenga Ifebajo, Adewale Sulaiman Oladipo and Edith Odinaka Ahaka 4.1 Introduction 96 4.1.1 Global Production, Consumption, and Distribution of Pesticides 97 4.1.2 Pesticide Remediation Technologies 98 4.2 Advanced Oxidation Processes 99 4.2.1 Heterogeneous Advanced Oxidation Processes 101 4.2.2 Homogeneous Advanced Oxidation Processes 102 4.3 Photobased Treatment Approaches for Pesticides 103 4.3.1 Photolytic Degradation of Pesticides 104 4.3.2 Photolytic Degradation of Pesticides Combined With Oxidants 106 4.4 Photocatalytic Degradation of Pesticides 106 4.4.1 Metal Oxide Semiconductors for Photocatalytic Degradation of Pesticides 114 4.4.2 Photocatalytic Degradation of Pesticides by Metal–Organic Frameworks 124 4.5 Mechanistic Insights Into Photocatalytic Degradation of Pesticides 128 4.6 Conclusions and Future Directions 131 References 132 5 Sustainable Photo- and Bio-Catalysts for Wastewater Treatment 139Nour Sh. El-Gendy and Hussein N. Nassar 5.1 Introduction 139 5.2 Natural Apatite and Its Applications 141 5.3 Natural Apatite as a Photo-Bio-Catalyst for Wastewater Treatment 141 5.3.1 Photodegradation by Pure Apatite 142 5.3.2 Photodegradation by Titania/Apatite Nanocomposite 143 5.3.3 Photodegradation by Zinicate/Apatite Nanocomposite 147 5.3.4 Photodegradation by Other Metal/Apatite Nanocomposite 152 5.4 Photodegradation of Pharmaceutical Pollutants 157 5.5 Challenges and Opportunities 159 References 160 6 Recent Advancement in Visible-Light-Responsive Photocatalysts in Heterogeneous Photocatalytic Water Treatment Technology 167Sadanand Pandey, Kotesh Kumar Mandari, Joonwoo Kim, Misook Kang and Elvis Fosso-Kankeu 6.1 Introduction 168 6.1.1 Technologies for Dye Removal From Contaminated Water 170 6.1.2 Photocatalysis 171 6.1.3 General Mechanism of Photocatalysis 172 6.1.4 Parameters Affecting the Photocatalytic Degradation of Dyes 177 6.1.4.1 Influence of pH on Photocatalytic Degradation of Dyes in Wastewaters 177 6.1.4.2 Crystal Composition and Catalyst Type 181 6.1.4.3 Pollutant Type and Concentration 183 6.1.4.4 Influence of Catalyst Loading 184 6.2 Conclusion and Future Research 186 Funding 187 Acknowledgments 187 References 187 7 Degradation Mechanism of Organic Dyes by Effective Transition Metal Oxide 197Barkha Rani, G Thamizharasan, Arpan Kumar Nayak and Niroj Kumar Sahu 7.1 Introduction 198 7.2 Types of Dyes and Their Sources 198 7.3 Environmental Hazards 199 7.4 Conventional Dye Degradation Process 200 7.4.1 Coagulation/Flocculation Process 201 7.4.2 Membrane Separation Process 201 7.4.3 Ion Exchange Process 202 7.4.4 Adsorption on Activated Carbon 202 7.4.5 Advance Oxidation Process 202 7.5 Mechanism of Photocatalytic Dye Degradation 202 7.5.1 Adsorption Process 203 7.5.1.1 Langmuir Isotherm 203 7.5.1.2 Freundlich Isotherm 204 7.5.1.3 Temkin Isotherm 204 7.5.1.4 Dubinin Radushkevich Isotherm 205 7.5.2 Photocatalytic Dye Degradation 206 7.6 Nanomaterial Aspect for Dye Degradation Process 207 7.7 Transition Metal Oxide-Based Nanomaterials for Dye Degradation 208 7.7.1 Co-Precipitation Process 210 7.7.2 Hydrothermal/Solvothermal Technique 211 7.7.3 Thermal Decomposition Process 211 7.8 Challenges and Future Scope 219 7.9 Conclusions 220 References 221 8 Factors Influencing the Photocatalytic Activity of Photocatalysts in Wastewater Treatment 229Rashi Gusain, Neeraj Kumar and Suprakas Sinha Ray 8.1 Introduction 230 8.2 Photocatalysis in Water Treatment 232 8.3 General Mechanism of Photocatalysis 233 8.4 Parameters Influencing Photocatalysis 235 8.4.1 Amount of Catalyst 235 8.4.2 Amount of Pollutant 235 8.4.3 Effect of pH 236 8.4.4 Effect of Oxidants 237 8.4.4.1 Effect of H2O2 239 8.4.4.2 Effect of KBrO3 240 8.4.4.3 Effect of (NH4)2S2O8 and K2S2O8 240 8.4.5 Effect of Temperature 241 8.4.6 Effect of Reaction Light Intensity 244 8.4.7 Effect of Doping 245 8.4.7.1 Noble Metal Doping 247 8.4.7.2 Metal Doping 248 8.4.7.3 Rare Earth Metal Doping 250 8.4.7.4 Non-Metallic Doping 251 8.4.7.5 Co-Doping 253 8.4.7.6 Self-Doping 253 8.4.8 Effect of Inorganic Ions 254 8.4.9 Effect of Size, Morphology, and Surface Area 255 8.5 Summary 257 Acknowledgment 258 References 258 9 Removal of Free Cyanide by a Green Photocatalyst ZnO Nanoparticle Synthesized via Eucalyptus globulus Leaves 271L.C. Razanamahandry, J. Sackey, C.M. Furqan, S.K.O. Ntwampe, E. Fosso-Kankeu, E. Manikandan and M. Maaza List of Abbreviations 272 9.1 Introduction 272 9.2 Materials and Methods 274 9.2.1 Eucalyptus globulus Leaves Extract Preparation 274 9.2.2 Zinc Oxide Nanoparticle Synthesis 274 9.2.3 Zinc Oxide Characterizations 274 9.2.4 Free Cyanide Removal 275 9.3 Results and Discussion 276 9.3.1 Zinc Oxide Nanoparticle Characteristics 276 9.3.2 Free Cyanide Adsorption 281 9.4 Conclusion 284 References 285 Index 289

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Book SynopsisExplore the cutting-edge of dissolution testing in an authoritative, one-stop resource In Pharmaceutical Dissolution Testing, Bioavailability, and Bioequivalence: Science, Applications, and Beyond, distinguished pharmaceutical advisor and consultant Dr. Umesh Banakar delivers a comprehensive and up-to-date reference covering the established and emerging roles of dissolution testing in pharmaceutical drug development. After discussing the fundamentals of the subject, the included resources go on to explore common testing practices and methods, along with their associated challenges and issues, in the drug development life cycle. Over 19 chapters and 1100 references allow practicing scientists to fully understand the role of dissolution, apart from mere quality control. Readers will discover a wide range of topics, including automation, generic and biosimilar drug development, patents, and clinical safety. This volume offers a one-stop resourcTable of ContentsForeword xvii Foreword xix Preface xxi Acknowledgments xxvii 1 Pharmaceutical Dissolution Testing: Fundamentals and Essential Applications (An Overview) 1 1.1 Introduction and Objective(s) 1 1.2 Science of Dissolution Over Past 120+ Years 3 1.2.1 Journey from Quality Control (QC) to Development 5 1.3 Fundamentals of Dissolution Testing (An Overview) 6 1.4 Factors Influencing Dissolution Test(ing) 8 1.5 Pharmaceutical Product Life Cycle: Role of Dissolution (An Overview) 12 1.6 Dissolution Test(ing): What It Is and What It Is Not! 13 1.7 Need for This Textbook 14 1.8 Summary and Concluding Remarks 15 References 16 2 Bioavailability (BA) and Bioequivalence (BE): Fundamentals and Applications in Drug Product Development 20 2.1 Introduction and Objective(s) 20 2.2 Definitions 21 2.3 Bioequivalence (BE) Testing: Basics, Advances, and Global Perspectives 23 2.3.1 BA/BE Study Designs 26 2.3.2 Sample Size, n 28 2.3.3 BE (Acceptance) Criteria and Statistical Considerations 31 2.3.4 Bioequivalence (BE) Studies: Role of Modeling and Simulations 33 2.3.5 Surrogates to BE 35 2.3.6 PD Endpoint-Based and Clinical Endpoint-Based BE Assessment 37 2.3.7 Regulatory Requirements 40 2.4 Current Challenges and Solutions (Insight into Chapter 14) 43 2.5 Summary and Concluding Remarks 44 References 44 3 Solubility, Dissolution, Permeability, and Classification Systems 54 3.1 Introduction and Objective(s) 54 3.2 Definitions 56 3.3 Solubility Versus Solubilization: What Is Critical in Development? 58 3.3.1 Theories of Solubilization 58 3.3.2 Solubility: Challenges in Drug Development! 63 3.3.3 Solubility Enhancement: Purpose, Theoretical and Practical Considerations! 68 3.4 Dissolution: Intrinsic Versus Apparent! 70 3.4.1 Theories of Dissolution 70 3.4.1.1 Noyes–Whitney Theory (1897) 70 3.4.1.2 Brunner and Tolloczko Theory (1900) 71 3.4.1.3 Nernst and Brunner Theory (1904) 71 3.4.2 Intrinsic Versus Apparent Dissolution 72 3.5 Permeability Versus Permeation (Process): What Is Critical for Bioefficacy! 74 3.6 Classification Systems: Theoretical Versus Pragmatic Considerations! 75 3.7 Summary and Concluding Remarks 78 References 79 4 Understanding the Mechanics of Dissolution: Mathematical Models and Simulations 86 4.1 Introduction and Objective(s) 86 4.2 Mechanics of Dissolution: Theories, Presumptions, and Reality Check 87 4.3 Dissolution Theories/Models 91 4.4 Dissolution Mechanics (Model-Dependent Methods) 92 4.4.1 Zero Order 92 4.4.2 First-Order Model (Gibaldi–Feldman Model 1967) 93 4.4.3 Makoid–Banakar Model (1993) 93 4.4.4 Hixson and Crowell Model (1931) 95 4.4.5 Higuchi Model (1961, 1963, 1967) 96 4.4.6 Baker–Lonsdale (1974) 97 4.4.7 Korsmeyer–Peppas Model (1983) 98 4.4.8 Hopfenberg Model (1976) 98 4.4.9 Gompertz Distribution Model 99 4.4.10 El-Yazigi Model (1981) 100 4.5 Dissolution Mechanics (Model-Independent Methods) 101 4.5.1 Weibull Distribution Model (1951) 101 4.5.2 Statistical Mean Time Concept/Model (1982) 101 4.5.3 (Other) Statistical Regression-Based Models 102 4.5.4 Sequential Model 102 4.5.5 Density Function Theory (DFT) 103 4.6 Relevance of Mathematical Modeling of Dissolution 104 4.7 Purposeful Modeling and Simulation 105 4.8 Summary and Concluding Remarks 106 References 107 5 Dissolution Testing Methods: Necessity Is the Mother of Invention! 110 5.1 Introduction and Objective(s) 110 5.2 Need for Dissolution Testing Method 112 5.3 Dissolution Testing Methods 113 5.3.1 Science of Dissolution 114 5.3.2 Intrinsic and Apparent Dissolution Methods 116 5.3.3 Compendial Methods Versus Regulatory Perspective 120 5.3.4 Predictive Testing Methods and “Biorelevant Dissolution” Methods 124 5.4 Necessity Is the Mother of Invention! 137 5.4.1 Controlled Release Parenteral Systems Including Drug-Eluting Stents 138 5.4.2 Pharmaceutical Formulations for the Oral Cavity 139 5.4.2.1 Soft Gelatin Capsules (SGC): Oral Delivery and Rectal Inserts 144 5.4.3 Inhalation Products 145 5.4.4 Semisolid Pharmaceutical Systems Including Transdermal Drug Delivery Systems (TDDSs) 148 5.4.5 Nanotechnology-Based Systems: Nanobiomedicine Formulations 149 5.4.6 Others 150 5.5 The Perpetual Struggle 152 5.6 Concluding Remarks 154 References 155 6 Essentials of Dissolution Testing of Pharmaceutical Systems 166 6.1 Introduction and Objective(s) 166 6.2 Objectives of Dissolution Testing of Pharmaceutical Systems 167 6.3 Oral Solid Dosage Forms (SDFs) 168 6.3.1 Immediate Release/Rapid Release SDFs 170 6.3.1.1 Conventional IR SDFs (Focus: Recent Advances in Solubility Enhancement!) 171 6.3.1.2 Chewable: Tablets and Gums 175 6.3.2 Modified Release (MR) SDFs 179 6.3.3 Advanced/Innovative MR-SDFs 193 6.4 Oral Liquid Dosage Forms 197 6.4.1 Rapid Release Systems (RRSs) 198 6.5 Non-oral Dosage Forms 201 6.5.1 Topical Dosage Forms 202 6.5.1.1 Traditional Topical Dosage Forms 203 6.5.1.2 Transdermal Drug Delivery Systems 204 6.5.1.3 Nasal, Ocular, Otic, Vaginal, and Rectal Dosage Forms 205 6.5.2 Parenteral Dosage Forms 213 6.6 Nanotechnology-Based Pharmaceutical Systems 220 6.7 Nutraceuticals and Natural Products 221 6.8 Concluding Remarks: Need for Purposeful Dissolution/Release Testing! 225 References 226 7 Dissolution/Release Test Data (Profile): Requirements, Analyses, and Regulatory Expectations 237 7.1 Introduction and Objective(s) 237 7.2 Academic Curiosity 239 7.3 Early Development 241 7.4 Product Development Stage 242 7.5 Comparative Analyses 244 7.6 Summary and Concluding Remarks 248 References 250 8 Automation in Dissolution Testing: Recent Advances and Continuing Challenges! 254 8.1 Introduction and Objective(s) 254 8.2 Automated Dissolution Testing: Why and What to Automate? 255 8.3 Challenges in Automation of Dissolution Test(ing) 263 8.4 Automation in Dissolution Testing: Looking Forward! 264 8.5 Concluding Remarks 266 References 267 9 In vitro–In vivo Correlations (IVIVCs): What Makes Them Challenging! 269 9.1 Introduction and Objective(S) 269 9.2 Basic Model, Scheme, and Assumptions 270 9.3 Mechanics for Determination of IVIVC 277 9.4 BCS and IVIVC 280 9.5 IVIVC in New Drug Development vis-à-vis Generic Drug Development 283 9.6 IVIVCs in Topical/Transdermal Drug Delivery Systems (TDDSs) 284 9.7 Nonlinear IVIVCs 286 9.8 Validation of IVIVC Prediction Error (PE) 286 9.9 IVIVC in Drug Product Life Cycle: What Is the Ultimate Objective? 287 9.10 Summary and Conclusions 289 References 289 10 Biorelevant Dissolution/Release Test Method Development for Pharmaceutical Dosage Forms 294 10.1 Introduction and Objective(s) 294 10.2 General Considerations in BDM Development 295 10.3 Oral Drug Delivery Systems 296 10.3.1 Challenges in the Simulation of GI Biorelevant Factors: Motility and Hydrodynamics 299 10.3.2 Biorelevant Dissolution Media for Oral Drug Delivery Systems 301 10.4 Inhalation Drug Delivery Systems 303 10.5 Parenteral Drug Delivery Systems 306 10.6 Other Drug Delivery Systems 308 10.7 The Roadmap 309 10.8 Summary and Concluding Remarks 310 References 311 11 Bioavailability Prediction Software: Hype or Reality! 320 11.1 Introduction and Objective(s) 320 11.2 The Need for Simulations and Predictions in Drug Product Development 322 11.3 Simulation and Prediction of In Vivo Performance: The Catch- 22 Situation!325 11.4 Bioavailability (BA)/Bioequivalence (BE) Simulation Software: What They Do and Do Not! 327 11.5 Appreciating and Depreciating Potential Utility of BA Prediction Software 335 11.6 Concluding Remarks 336 References 337 12 Challenges and Unique Applications of IVIVC in Drug Development 340 12.1 Introduction and Objective(s) 340 12.2 USP <1088> and US FDA Guidance for Industry (1997): Operational Challenges 342 12.3 Applications of IVIVC(s) 347 12.4 Prospective IVIVC(s) 349 12.4.1 Background 349 12.4.2 Process 349 12.4.3 Application 352 12.4.3.1 Unique Application of IVIVC 353 12.5 Retrospective IVIVC(s): Responding to Agency Queries! 355 12.6 Summary and Concluding Remarks 361 References 362 13 Dissolution Testing in Generic Drug Development: Methods, Requirements, and Regulatory Expectations/Requirements 366 13.1 Introduction and Objective(s) 366 13.2 Generic Drug Development Process: Role of Dissolution Testing 368 13.2.1 Preformulation 369 13.2.2 Prototype Formulation 371 13.2.3 Prospective Development: IVIVC with BE as the Objective! 372 13.2.4 Pilot BE to Pivotal BE 375 13.3 Generic Pharmaceutical Systems: Role of Dissolution 375 13.3.1 Traditional: Para III Formulations – Rush to “First to File” 376 13.3.2 Para IV Formulations 377 13.3.3 Exploring 505(b)(2) Opportunities 380 13.3.4 Differentiated Products and/or Incremental Innovations 384 13.3.5 Supergenerics: Are They? 385 13.3.6 Complex Generics 386 13.4 Generics: Finished Products – Role of Dissolution Testing 388 13.4.1 Tentative Approval to Final Approval: Setting QC Specifications! 388 13.4.2 Biowaivers: Global Considerations and Perspectives! 389 13.4.3 Regulatory Queries and Responses 392 13.5 Summary and Concluding Remarks 396 References 396 14 Successful Bioequivalence Investigations: Current Challenges and Possible Solutions! 400 14.1 Introduction and Objective(s) 400 14.2 Understanding Challenges and Approaches to Overcome Them! 402 14.2.1 Oral Dosage Forms 404 14.2.1.1 Highly Variable Drugs (HVDs) 405 14.2.1.2 Oral Dosage Forms: Locally Acting 406 14.2.2 Narrow Therapeutic Index (NTI) Drugs 409 14.2.3 Topical Dosage Forms 411 14.2.3.1 Ophthalmic Dosage Forms 413 14.2.4 Oral Inhalation Products 417 14.2.5 Complex Generics 420 14.2.6 Nutraceuticals and Natural Products 422 14.3 Concluding Remarks 423 References 424 15 Beyond Guidance(s): Convincing Regulatory Authorities Through Creative Dissolution Data Interpretation 434 15.1 Introduction and Objective(s) 434 15.2 Regulatory Guidance(s): Reading Versus Understanding! 435 15.3 Regulatory Submission: Premise and Expectation(s) 438 15.4 Handling Regulatory Query/Deficiency: Efficient and Satisfying Response 440 15.5 Winning an Argument: Three Cs to Succeed! 443 15.6 Sample Case Study(ies) 444 15.7 Summary and Concluding Remarks 447 References 447 16 Biosimilars: The Emerging Frontier for Generics – Role of Dissolution Testing! 449 16.1 Introduction and Objective(s) 449 16.2 Generics, (Bio)betters, and Biosimilars: What Are They? 451 16.3 Regulatory Approval Process (Brief): Focus on Efficacy! 453 16.4 Role of Solubility and Dissolution 456 16.5 Concluding Remarks 458 References 459 17 Patentability of Drug Product Based on Dissolution Data: Intellectual Property Considerations! 461 17.1 Introduction and Objective(s) 461 17.2 Patentability and the Patent Process (Brief): Scientist’s Perspective 462 17.2.1 Is Solubility and Dissolution Patentable: Scientist’s Perspective 465 17.3 Pharmaceutical Product: Patentability and Role of Dissolution Testing 466 17.4 Patentability: Double-Edged Sword! 468 17.5 Concluding Remarks 471 References 471 18 Setting Up Clinical Therapeutics Safety-Based QC Specifications for Dissolution Testing of a Finished Product 473 18.1 Introduction and Objective(s) 473 18.2 Critical Quality Attributes (CQA): Role of In vitro Dissolution as a QC Test! 475 18.3 Clinical Drug Product Performance: Adequate or Predictable! 476 18.4 Clinically Relevant Specifications (CRS): Basics and Challenges! 478 18.4.1 Setting Up CRDS or CRS 481 18.5 Idealism and Pragmatism Versus Realism! 484 18.6 Concluding Remarks 489 References 490 19 Unlocking the Mystery(ies) While Predicting Bioavailability from Dissolution 493 19.1 Introduction and Objective(s) 493 19.2 The IVIVC Model and Objective(s) of IVIVC 494 19.3 Challenges Encountered in Predicting Bioavailability from Dissolution 495 19.4 What Are We Doing Now? 499 19.4.1 Mathematical Modeling: Limitations and Feel Good Phenomena! 499 19.4.2 BCS and Its Relation to Drug Formulation’s Dissolution Performance 500 19.4.3 The Application (or the Lack) of f 1 and f 2 Parameters 501 19.4.4 Dissolution Data Banks, Agency Recommendations, and Compendial Monographs 502 19.4.5 Dissolution Testing Apparatuses (Choice Versus Selection!) 503 19.4.6 Advent of Biophysiologically Relevant Dissolution Media(um) 504 19.4.7 What Are We Missing in This Picture? 505 19.5 What We Should Be Doing! The Way Forward: The Missing Link! 506 19.6 Advent of IVRT, IVPT, PBPK, and PBAM 508 19.6.1 Role of IVRT, IVPT, and PBAM in Predicting In Vivo Absorption of Drug from Oral Solid Dosage Forms 510 19.7 Summary and Concluding Remarks 511 References 512 Index 515

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Book SynopsisSystem Safety for the 21st Century Explore an authoritative and complete exploration of basic and advanced concepts in system safety engineering The Second Edition of System Safety for the 21st Century delivers an authoritative primer on the identification, evaluation, analysis, and control of hazards to people, components, sub-systems, systems, processes, and facilities. The book offers readers a complete discussion on techniques within system safety, the discipline on process safety, as well as a comprehensive treatment on professionalism within the safety industry. This new edition applies the concepts of system safety to medical disciplines and medical devices, offering readers the potential to have a significantly positive impact on the standing of American medical safety in the world. The latest edition also includes: A brand-new chapter on the risk management with current international and U.S. government standards Table of ContentsForeword xiii Preface xv Acknowledgments xvii About The Companion Website xix Part I Introduction to System Safety 1 1. The History of System Safety 3 The 1960s—Mil-Std-882, DoD, and Nasa 4 The 1970s—The Management Oversight and Risk Tree 4 The 1980s—Facility System Safety 5 The 1990s—Risk-Based Process System Safety 6 The 2000s—Quest for Intrinsic Safety 6 The 2010s—Risk Management Integration 7 The 2020s—Improvements and International Approach to Risk Maturing 7 Review Questions 8 Bibliography 8 2. Fundamentals of System Safety 9 Basic Definitions 9 Fundamental Safety Concepts 9 System Safety Fundamentals 13 System Safety Tenets 18 Review Questions 19 Bibliography 19 3. Current Approaches to System Safety 21 Department of Defense 21 Nasa 26 Facility System Safety 28 The Chemical Industry 31 Department of Energy 32 Review Questions 34 Bibliography 35 4. Problem Areas 37 Standardization 38 Risk Assessment Codes 39 Data 40 Communications 40 Life Cycle 41 Education and Training 41 Human Factors 41 Software 42 Review Questions 42 Bibliography 42 5. The Future of System Safety 43 More First-Time Safe Systems 43 Cost-Effective Management Tools 43 The Face of System Safety 44 Proactive or Reactive? 47 Review Questions 47 Bibliography 47 Part II System Safety Program Planning and Management 49 6. Establishing the Groundwork 51 Generic Model 51 Product Safety 51 Dual Programs 52 Planning and Development Methodology 52 Review Questions 53 7. Tasks 55 Hazard Identification 56 Hazard Analysis and Control 58 System Safety Support Tasks 60 Review Questions 61 8. System Safety Products 63 System Safety Program Plan 63 Preliminary Hazard List 64 Preliminary Hazard Analysis 66 Hazard Tracking Log 67 Subsystem Hazard Analysis 68 System Hazard Analysis 71 Operating Hazard Analysis 72 Change Analysis Report 73 Accident Analysis Report 74 Review Questions 75 9. Program Implementation 77 Steps 77 Review Questions 88 Table of Contents vii 10. Risk Management 89 Introduction 89 Types of Risk 89 Risk Management 90 Review Questions 96 Bibliography 96 Part Iii Analytical Aids 101 11. Analytical Trees 103 Purposes 104 Tree Construction 105 Fault Trees Versus Fault Tree Analysis 110 Review Questions 115 Bibliography 115 12. Risk Assessment and Risk Acceptance 117 Risk Management Concepts 117 Risk Assessment Shortcomings 123 Total Risk Exposure Codes 124 Review Questions 126 Bibliography 126 13. Human Factors 127 Human Reliability 127 Human Error Rates 129 Improving Human Reliability 130 Human Factors for Engineering Design 132 Review Questions 135 Bibliography 135 Part IV System Safety Analysis Techniques 137 14. Energy Trace and Barrier Analysis 139 Purpose of ETBA 139 Input Requirements 139 General Approach 140 Instructions 140 Review Questions 142 Bibliography 142 15. Failure Mode and Effects Analysis 143 Purpose of FMEA 144 Input Requirements 144 General Approach 144 Instructions 144 Appendix: Sample FMEA 147 Summary 147 Project Description 147 Methodology 149 Review Questions 152 Bibliography 152 16. Fault Tree Analysis 155 Purpose of FTA 155 Input Requirements 156 General Approach 156 Instructions 157 Appendix: Sample FTA 165 Summary 165 Project Description 166 Methodology 167 Review Questions 171 Bibliography 171 17. Project Evaluation Tree 173 Purpose of PET 174 Input Requirements 174 General Approach 174 Instructions 175 Appendix: PET User’s Guide 179 Review Questions 188 Bibliography 188 18. Change Analysis 189 Purpose 189 Input Requirements 190 General Approach 190 Instructions 190 Review Questions 193 Bibliography 193 19. Management Oversight and Risk Tree 195 Purpose of Mort and Mini-Mort 197 Input Requirements 198 General Approach 198 Instructions 205 Review Questions 221 Bibliography 221 20. Event and Causal Factors Charts 223 Purpose 223 Input Requirements 223 General Approach 224 Instructions 224 Review Questions 228 Bibliography 228 21. Other Analytical Techniques 229 Software Hazard Analysis 229 Common Cause Failure Analysis 229 Sneak Circuit Analysis 230 Extreme Value Projection 231 Time-Loss Analysis 235 Additional Techniques 237 Review Questions 238 Bibliography 238 Part V Process Safety 241 22. Process Safety Management 243 Introduction 243 Background 243 Future 248 Summary 249 Review Questions 249 Bibliography 249 Appendix: List of Highly Hazardous Chemicals, Toxics and Reactives 250 23. EPA’s Equivalent Process Safety Requirements—Risk Management Program (RMP) 255 Background 255 Overall Risk Management Program 255 Summary 259 Review Questions 260 Bibliography 260 Appendix: Substances Listed Under 40 CFR 68 261 24. Process Safety Implementation 263 Introduction 263 PSM Implementation 263 RMP Implementation 270 Implementation Lessons 271 Summary 272 Review Questions 272 Bibliography 273 25. Process Safety Reviews 275 Introduction 275 Mechanics of an Individual Audit 277 Lessons 279 Summary 281 Review Questions 281 Bibliography 281 Part VI System Safety Applied To The Medical Field 283 26. Medical Devices and Equipment 285 Introduction 285 Purpose 285 System Safety Review 285 System Safety Application to Medical Devices 286 System Safety Interface with Medical Devices 288 Considerations for Improvement 289 Conclusions 291 Review Questions 292 Bibliography 292 Appendix 293 27. Infection Control 295 Introduction 295 The Problem 296 What’s Being Done 296 System Safety Considerations 298 Further Improvements 298 System Safety Application 301 Cronavirus 303 Review Questions 304 Bibliography 305 28. Hospitals 307 Introduction 307 Challenges Faced 308 System Safety Application 312 Case Study Hypothetical System Safety Application to a Hospital 315 Anticipating the Future 318 Review Questions 319 Bibliography 319 29. Future Considerations 321 Introduction 321 Definitions 321 Health Care Future Discussion Areas 322 Research and Development 326 System Safety Application to Medical Care in the Future 327 Other Thoughts 329 Conclusions 330 Review Questions 331 Bibliography 331 Part VII Professionalism and Professional Development 333 30. Professionalism and Professional Development 335 Introduction 335 What is Professionalism? 335 Professional Development 337 Accreditation of Certifications 337 Why Become Certified? 339 Summary 341 Review Questions 342 Bibliography 342 Appendices 343 Appendix I: The Scope and Functions of the Professional Safety Position 343 Appendix II: International System Safety Society Fundamental Principles and Canons 347 Appendix III: Professional System Safety and Related Societies and Organizations 351 Glossary 357 Acronyms 365 Bibliography 369 Further Reading 373 About The Author 375 Book Contributor 377 Book Back Cover 379 Index 381

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Book SynopsisPrinciples of Toxicology concisely and efficiently presents the scientific basis for toxicology as it applies to the workplace and the environment, covering diverse chemical hazards encountered in modern workplaces and natural environments and providing a practical understanding of these hazards for those concerned with protecting the health of humans and ecosystems. The work presents not only theory, but also practical information regarding chemical hazards to give the student and new professional a working knowledge of the practice of toxicology and the ability to solve problems in environmental and industrial settings. Case histories and examples from industrial and environmental exposures to chemicals are included to demonstrate the application of toxicological principles. To allow for seamless reader comprehension and further exploration of covered topics, the work is supplemented with numerous illustrations to clarify and summarize key points, as well as annotated bTable of Contents1 General Principles of ToxicologyRobert C. James, Stephen M. Roberts, and Phillip L. Williams 2 Xenobiotic Absorption, Distribution, Metabolism and ExcretionMichael R. Franklin 3 ToxicokineticsRebecca A. Clewell and Harvey J. Clewell III 4 Regulatory ToxicologyRaymond M. David 5 Alternative Methods in Toxicity TestingLeona D. Scanlan, XuefeiCao, and Christopher D. Vulpe 6 ComputationalToxicologyRichard S. Judson, David M. Reif, Keith A. Houck, Thomas B. Knudsen, Joshua Harrill, Katie Paul Friedman 7 Hematotoxicity:Toxic Effects on the Hematopoietic SystemLila Ramaiah, Tara Arndt, and Michelle Cora 8 Hepatotoxicity: Toxic Effects on the LiveRobert C. James and Stephen M. Roberts 9 Nephrotoxicity: Toxic Effects on the KidneyLawrence H. Lash 10 Neurotoxicology: Toxic Effects on the Nervous SystemW. Michael Caudle, Meghan Bucher, Alexandria C. White, and Gary W. Miller 11 Dermal Toxicology: Toxic Effects on the SkinSailesh Konda and Howard I Maibach 12 Pulmonotoxicity: Toxic Effects on the Respiratory SystemCuiqing Liu and Qinghua Sun 13 Immunotoxicity: Toxic Effects on the Immune SystemEric S. Sobel and Stephen M. Roberts 14 Reproductive and Developmental Toxicity: Toxic Effects on the Female and Male Reproductive Tracts and OffspringShuo Xiao, Krista Symosko, and Charles A. Easley IV 15 Mutagenesis and Genetic ToxicologyMartha M. Moore, Meagan B. Myers and Robert H. Heflich 16 Chemical CarcinogenesisJames E. Klaunig, Luma Melo, and Karen Tilmant 17 Properties and Effects of MetalsDavid B. Mayfield, Lisa A. Bailey, Joel M. Cohen, and Barbara D. Beck 18 PesticidesJanice Britt 19 Properties and Toxicology of Organic Solvents and Solvent-Like ChemicalsChristopher M. Teaf and Michele M. Garber 20 NanotoxicologyHongbo Ma and Stephen M. Roberts 21 Insights into EpidemiologyJ. Fryzek, C. Frankenfeld, N. Movva, L. Bylsma, and J. Acquavella 22 Occupational and Environmental HealthLaura Breeher, Fredric Gerr, and T. Renėe Anthony 23 Human Health Risk AssessmentLeah D. Stuchal 24 Ecological Risk AssessmentBrett Thomas 25 The Dilemma of Selecting Safe Exposure ValuesRobert C. James, Phillip L. Williams,and Stephen M. Roberts

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Book SynopsisProvides complete and up-to-date coverage of the foundational principles, enabling technologies, and specific instruments of portable spectrometry Portable Spectroscopy and Spectrometry: Volume One is both a timely overview of the miniature technologies used in spectrometry, and an authoritative guide to the specific instruments employed in a wide range of disciplines. This much-needed resource is the first comprehensive work to describe the enabling technologies of portable spectrometry, explain how various handheld and portable instruments work, discuss their potential limitations, and provide clear guidance on optimizing their utility and accuracy in the field. In-depth chapterswritten by a team of international authors from a wide range of disciplinary backgroundshave been carefully reviewed both by the editors and by third-party experts to ensure their quality and completeness. Volume One begins with general discussion of portable spectrometerTable of ContentsList of Contributors xiii Foreword xvii Preface for Volume 1 xix Acknowledgements xxi 1 Introduction to Portable Spectroscopy 1Pauline E. Leary, Richard A. Crocombe and Brooke W. Kammrath 1.1 Introduction 1 1.2 Defining Portable Spectrometers 1 1.3 Performance 2 1.4 History and Availability 4 1.5 Instrument Design and Enabling Technologies 7 1.6 Producing Results 8 1.7 Outline of These Volumes 9 Acronyms and Abbreviations 11 References 12 2 Engineering Portable Instruments 15Terry Sauer 2.1 Size/Weight 15 2.2 Sample Interface 16 2.3 Embedded Computer vs. External Personal Computer (PC) 16 2.4 Reduced Feature Set 17 2.5 Target of Non-Spectroscopist 17 2.6 Power Budget 18 2.7 Voltage Conversion 18 2.8 Decon/Ingress Protection (IP) Rating 19 2.9 Testing the Seal 20 2.10 Gloved Operation 20 2.11 Display 21 2.12 Thermal Concerns 23 2.13 Optical Elements 27 2.14 Interferometer Optical Design 27 2.15 Interferometer Bearings 29 2.16 Vibration 30 2.17 Shock 30 2.18 Battery 31 2.19 Electrostatic Discharge (ESD) 32 2.20 Ergonomics 34 2.21 Laser Safety 34 2.22 Stability 35 2.23 Service 38 2.24 Communications/Wireless 38 References 38 3 Design Considerations for Portable Mid-Infrared FTIR Spectrometers Used for In-Field Identifications of Threat Materials 41David W. Schiering and John T. Stein 3.1 Introduction and Background 41 3.2 FTIR System Components 44 3.3 FTIR Spectrometer Performance Attributes 53 3.4 Modeling and Simulation Guide to Portable Instrument Design and Development 55 3.5 Portable FTIR Performance Benchmarks 60 3.6 Conclusion 62 Abbreviations and Acronyms 62 References 63 4 PAT Applications of NIR Spectroscopy in the Pharmaceutical Industry 67Pierre-Yves Sacré, Charlotte De Bleye, Philippe Hubert and Eric Ziemons 4.1 Introduction 67 4.2 Continuous Manufacturing and Real-Time Release Testing 67 4.3 PAT Implementation of Near-Infrared Spectroscopy 73 4.4 Conclusion 79 Glossary 81 References 82 5 MOEMS and MEMS – Technology, Benefits & Uses 89Heinrich Grüger 5.1 Introduction 89 5.2 Grating-Based Spectrometers 92 5.3 Fourier Transform Spectrometer 101 5.4 Tunable Fabry–Perot Interferometer 104 5.5 Integration Strategies for MEMS-/MOEMS-Based Spectrometers 106 5.6 Use of MEMS-Based NIR Spectrometers 108 Acronyms and Abbreviations 109 References 110 6 Portable Raman Spectroscopy: Instrumentation and Technology 115Cicely Rathmell, Dieter Bingemann, Mark Zieg and David Creasey 6.1 Introduction 115 6.2 The Case for Raman: Capabilities and Scope 115 6.3 The Theory of Raman Spectra 116 6.4 Basics of a Raman System 119 6.5 “Portable” Versus “Handheld” Versus “Mini” 119 6.6 Performance Needs in Portable Raman Instruments 120 6.7 Excitation Laser 122 6.8 Optical Filters and Sampling Optics 125 6.9 Spectrometer Design 127 6.10 Sample Interface and Accessories 134 6.11 Spectral Processing and Analysis 135 6.12 Special Cases 138 6.13 Conclusion 140 Acronyms and Abbreviations 141 References 141 7 Optical Filters – Technology and Applications 147Oliver Pust 7.1 Overview on the Use of Optical Filters in Spectroscopy 147 7.2 Optical Filters as Auxiliary Filters 154 7.3 Optical Filters as Complementary Filters 159 7.4 Optical Filters asWavelength Selective Element 161 7.5 Conclusion and Outlook 175 References 176 8 Portable UV–Visible Spectroscopy – Instrumentation, Technology, and Applications 179Anshuman Das 8.1 Introduction 179 8.2 Typical Instrumentation of a Portable UV–Vis Spectrometer 180 8.3 Measurement Configurations 183 8.4 Types of Instrumentation Used in UV–Vis Spectroscopy 187 8.5 Applications 193 8.6 Challenges for Portable Spectrometers 202 8.7 Outlook 204 References 204 9 Smartphone Technology – Instrumentation and Applications 209Alexander Scheeline 9.1 Introduction and Context 209 9.2 Challenges of Smartphone Spectrometry 210 9.3 Progress to Date 213 9.4 Conclusion and Prospective 230 References 230 10 Portable Standoff Optical Spectroscopy for Safety and Security 237Matthew P. Nelson and Nathaniel R. Gomer 10.1 Introduction 237 10.2 Portable Standoff Optical Instrument Types 240 10.3 Portable Standoff Optical Instrument Technologies 242 10.4 Portable Standoff Optical Spectroscopy Sensor Selection 248 10.5 Portable Standoff Optical Spectroscopy Sensors and Applications 253 10.6 Conclusions and Future Direction 269 Acronyms and Abbreviations 269 References 270 11 Microplasmas for Portable Optical Emission Spectrometry 275Vassili Karanassios 11.1 Introduction 275 11.2 A Brief Review of the Portable Microplasma Literature 276 11.3 Conclusion 284 Acronyms 284 Abbreviations 284 Acknowledgments 285 References 285 12 Portable Electro-Optical-Infrared Spectroscopic Sensors for Standoff Detection of Chemical Leaks and Threats 289Hugo Lavoie, Jean-Marc Thériault, Eldon Puckrin, Richard L. Lachance, Alexandre Thibeault, Yotam Ariel and Jean Albert 12.1 Introduction 289 12.2 A Differential FTIR Approach for Standoff Gas Detection 289 12.3 iCATSI Sensor 297 12.4 Active FTIR for Ground Contamination Detection 299 12.5 Signature Collection: Broadband Portable Field Spectral Reflectometer 303 12.6 Imaging Gas Filter Correlation Radiometry 308 12.7 Conclusion 317 References 317 13 Handheld Laser Induced Breakdown Spectroscopy (HHLIBS) 321David Day 13.1 Introduction 321 13.2 Handheld LIBS-Enabling Technologies 323 13.3 Commercial HHLIBS Specifications 337 13.4 HHLIBS Applications 337 13.5 Summary and Future Expectations 341 References 341 14 Miniaturized Mass Spectrometry – Instrumentation, Technology, and Applications 345Dalton T. Snyder 14.1 Introduction 345 14.2 Instrumentation 346 14.3 Applications 358 14.4 Summary and Outlook 364 Acronyms 364 Further Reading 365 15 Portable Gas Chromatography–Mass Spectrometry: Instrumentation and Applications 367Pauline E. Leary, Brooke W. Kammrath and John A. Reffner 15.1 Introduction 367 15.2 History of Portable GC–MS 368 15.3 Critical Components for Portability 370 15.4 Applications 379 15.5 The Future of Portable GC–MS 384 Acknowledgments 385 References 385 16 Development of High-Pressure Mass Spectrometry for Handheld and Benchtop Analyzers 391Kenion H. Blakeman and Scott E. Miller 16.1 Introduction 391 16.2 Ion Trap Development for HPMS 392 16.3 Commercialization and Applications 401 16.4 Conclusions 408 References 408 17 Key Instrumentation Developments That Have Led to Portable Ion Mobility Spectrometer Systems 415Reno F. DeBono and Pauline E. Leary 17.1 Background and History 415 17.2 Principles of Ion Mobility Spectrometry 417 17.3 Current Innovations and Future Directions 439 17.4 Conclusions 441 Acronyms 442 Abbreviations and Symbols 443 References 444 18 X-Ray Sources for Handheld X-Ray Fluorescence Instruments 449Sterling Cornaby 18.1 Background 449 18.2 The Miniature X-Ray Source 450 18.3 The Selection of a Target Anode Material for XRF 455 18.4 Functionality of X-Ray Sources for HHXRF 461 18.5 Conclusion 472 References 473 19 Semiconductor Detectors for Portable Energy-Dispersive XRF Spectrometry 475Andrei Stratilatov 19.1 Introduction 475 19.2 Semiconductor Detector Fundamentals: Signal Formation 476 19.3 Detectors for Portable Spectrometers: Design and Performance 486 19.4 Silicon Drift Detectors 489 19.5 Si Detectors’ Quantum Efficiency: X-Ray EntranceWindows 491 19.6 Conclusion 498 Acronyms and Abbreviations 499 References 499 20 Field-Deployable Utility of Benchtop Nuclear Magnetic Resonance Spectrometers 501Koby L. Kizzire and Griffin Cassata 20.1 Introduction 501 20.2 NMR Theory 503 20.3 Magnet Miniaturization 505 20.4 Improvements in Sensitivity and Resolution 506 20.5 Current bNMR Spectrometers 507 20.6 Applications 509 20.7 Conclusion 510 References 511 21 Rapid DNA Analysis – Need, Technology, and Applications 515Claire L. Glynn and Angie Ambers 21.1 Need for Speed 515 21.2 Technology 518 21.3 Applications 529 21.4 Limitations and Important Considerations 538 21.5 Future Considerations and Conclusions 539 A Appendix 540 A.1 Acronyms 540 References 541 22 Portable Biological Spectroscopy: Field Applications 545Brian Damit and Miquel Antoine 22.1 Introduction 545 22.2 Organization of This Chapter 547 22.3 Attributes of Field-Portable Spectroscopy Systems 547 22.4 Field Applications 548 22.5 Summary, Challenges, and Outlook 558 Acknowledgements 558 List of Acronyms 559 References 559 Index 565

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Book SynopsisThe most comprehensive resource available on the many applications of portable spectrometers, including material not found in any other published work Portable Spectroscopy and Spectrometry: Volume Two is an authoritative and up-to-date compendium of the diverse applications for portable spectrometers across numerous disciplines. Whereas Volume One focuses on the specific technologies of the portable spectrometers themselves, Volume Two explores the use of portable instruments in wide range of fields, including pharmaceutical development, clinical research, food analysis, forensic science, geology, astrobiology, cultural heritage and archaeology. Volume Two features contributions by a multidisciplinary team of experts with hands-on experience using portable instruments in their respective areas of expertise. Organized both by instrumentation type and by scientific or technical discipline, 21 detailed chapters cover various applicationTable of ContentsList of Contributors xv Foreword xix Preface for Volume 2 xxi Acknowledgements xxiii 1 The Role of Applications in Portable Spectroscopy 1Richard A. Crocombe, Pauline E. Leary and Brooke W. Kammrath 1.1 Introduction 1 1.2 The Evolution of Applications 1 1.3 What Defines an Application? 5 1.4 The Return on Investment for an Application 11 1.5 Preparing Samples in the Field 12 1.6 The Commercial Success of a Portable Spectrometer 15 1.7 Conclusions and Future Applications 16 References 17 2 Identification and Confirmation Algorithms for Handheld Analyzers 19Craig M. Gardner, Robert L. Green, Lin Zhang, Lisa M. Lee and Suzanne K. Schreyer 2.1 Introduction 19 2.2 Data Collection 22 2.3 Data Conditioning 26 2.4 Types of Algorithms 26 2.5 Display of Algorithm Results 34 2.6 Computational Considerations 37 2.7 Performance Characterization 39 2.8 Conclusion 40 References 40 3 Library and Method Development for Portable Instrumentation 43Suzanne K. Schreyer 3.1 Introduction 43 3.2 Instrument Use Overview 44 3.3 Library Development 45 3.4 Qualitative Model Development 48 3.5 Library Build 48 3.6 Case Study: Building a Polymorph Library 50 3.7 Case Study: Counterions and Effect on Selectivity 51 3.8 Case Study: Effect of Moisture on Peaks of Ammonium Nitrate 53 3.9 Case Study: Selectivity in an Explosive Sublibrary 54 3.10 Quantitative Method Development 55 3.11 Building Meaningful Predictive Models 58 3.12 Case Study: Prediction of Protein Levels in Flour Samples 58 3.13 Summary 61 References 62 4 Applications of Portable Optical Spectrometers in the Chemical Industry 65Xiaoyun Chen, Mark A. Rickard and Zhenbin Niu 4.1 Introduction 65 4.2 Review of Industrial Applications 67 4.3 In-Depth Examples 71 4.4 Conclusions and Prospects 80 References 82 5 The Value of Portable Spectrometers for the Analysis of Counterfeit Pharmaceuticals 85Pauline E. Leary, Richard A. Crocombe and Ravi Kalyanaraman 5.1 Introduction 85 5.2 Field Analytical Spectroscopy Methods 93 5.3 Deployed Systems 112 5.4 The Future 116 Acknowledgments 117 References 118 6 Forensic Applications of Portable Spectrometers 125Brooke W. Kammrath, Pauline E. Leary and John A. Reffner 6.1 Breath Alcohol Testing 127 6.2 White-Powder Attacks 131 6.3 Illicit Drugs 134 6.4 Counterfeit Drugs 137 6.5 Explosives 138 6.6 Clandestine Labs 139 6.7 Ignitable Liquids 139 6.8 Future 140 6.9 Conclusions 142 Acknowledgments 143 References 144 7 Military Applications of Portable Spectroscopy 149Alan C. Samuels 7.1 Introduction 149 7.2 Visible/Near-Infrared Hyperspectral Imaging for Bulk Explosive Material Detection and Camouflage Defeat Applications 150 7.3 Infrared Spectroradiometry for Remote Hazardous Vapor Detection and Early Warning 150 7.4 Infrared and Raman Spectroscopy for Condensed Phase Analysis (Energetics, Chemical Agents, Biological Agents) 151 7.5 Raman Spectroscopy for Surface Contamination Detection 153 7.6 Raman Spectroscopy for Presumptive Biological Hazard Classification and Early Warning of a Biowarfare Agent Attack 154 7.7 Fluorescence Spectroscopy as a Biological Detection “Trigger” 154 7.8 Networked Multimodal Sensors and Data Analytics and the Future 155 References 156 8 Applications of Ion Mobility Spectrometry 159Pauline E. Leary and Monica Joshi 8.1 Introduction 159 8.2 Applications 162 8.3 Conclusion 174 References 175 9 Portable Spectroscopy in Hazardous Materials Response 179David DiGregorio 9.1 The Hazmat Clinician 179 9.2 Defining the Mission: Meeting with the IC 180 9.3 Hazmat Huddle or Pre-Entry Brief 183 9.4 HPMS 190 9.5 Raman Spectroscopy 190 9.6 Fourier-Transform Infrared Spectroscopy (FT-IR) 191 9.7 IMS 191 9.8 GC–MS 192 9.9 Colorimetrics 193 9.10 Warranties and Reachback 193 9.11 Pitfalls 194 9.12 Complimentary Technologies 194 9.13 An Introduction to the ScientificWorking Group for the Analysis of Seized Drugs (SWGDRUG) 194 9.14 SWGDRUG Recommendations: How They Related to the Hazmat Field 195 9.15 Ancillary Equipment 196 References 198 10 Toward Clinical Applications of Smartphone Spectroscopy and Imaging 199William J. Peveler and W. Russ Algar 10.1 Smartphone Imaging and Spectroscopy Capabilities: An Overview 200 10.2 Clinical Biomarkers Targeted for the Smartphone 203 10.3 Toward Clinical Applications of the Smartphone in Low-Cost and Point-of-Care Settings 207 10.4 Toward Clinical Applications in Primary Care or Pathology Laboratory Settings 211 10.5 Microscopy and Imaging on the Smartphone and the Potential Clinical Applications 218 10.6 Optical Measurements with Smartphones in the Clinic: An Outlook 219 References 221 11 Applications of Portable and Handheld Infrared Spectroscopy 227John A. Seelenbinder and Christina S. Robb 11.1 Rapid Response 228 11.2 Dispersed Samples 231 11.3 Nondestructive Testing 238 11.4 Conclusion 243 References 243 12 Spectra Transfer Between Benchtop Fourier-Transform Near-Infrared and Miniaturized Handheld Near-Infrared Spectrometers 249Uwe Hoffmann, Frank Pfeifer and Heinz W. Siesler 12.1 Introduction 249 12.2 Experimental Details 255 12.3 Results and Discussion 256 12.4 Summary of Transfer Strategy 262 12.5 Conclusions 265 References 265 13 Applications of Handheld Near-Infrared Spectrometers 267Hui Yan and Heinz W. Siesler 13.1 Introduction 267 13.2 Instrumentation 267 13.3 Applications 269 13.4 Qualitative Applications of Handheld NIR Spectrometers 269 13.5 Quantitative Analyses with Handheld NIR Spectrometers 276 13.6 Conclusions 294 Acknowledgments 295 References 295 14 X-Ray, LIBS, NMR, and MS Applications in Food, Feed, and Agriculture 299Krzysztof Bernard Be´c, Justyna Grabska and Christian Wolfgang Huck 14.1 Introduction 299 14.2 Applications of Transportable Spectroscopy and Spectrometry in Food, Feed, and Agriculture 301 14.3 Current Developments, Remaining Challenges, and Future Prospects 317 14.4 Concluding Remarks 319 References 319 15 Portable Near-Infrared Spectroscopy in Food Analysis 325Ellen V. Miseo, Felicity Meyer and James Ryan 15.1 Introduction 325 15.2 Spectroscopy 326 15.3 Analysis, Sampling, and Detection Limits 327 15.4 Use of Portable Near-Infrared Instruments in Food Analysis 332 15.5 Summary 336 References 336 16 Handheld Raman, SERS, and SORS 347Michael Hargreaves 16.1 Introduction 347 16.2 Raman Spectroscopy: Sampling Techniques, Technologies, and Considerations 347 16.3 Handheld Raman Devices 350 16.4 Sample Considerations 351 16.5 Usability Considerations 352 16.6 Surface-Enhanced Raman Spectroscopy (SERS) 352 16.7 Spatially Offset Raman Spectroscopy (SORS) 355 16.8 Standoff 358 16.9 Technology Combinations 358 16.10 Leveraging Data 359 16.11 Military Identification Applications 361 16.12 Pharmaceuticals 364 16.13 Narcotics 366 16.14 Novel Psychoactive Substances (NPS) 369 16.15 Summary 372 Acknowledgments 372 Images 372 References 372 17 Portable Raman Spectroscopy in Field Geology and Astrobiology Applications 377H.G.M. Edwards, J. Jehliˇcka and A. Culka 17.1 Introduction 377 17.2 Dawn of Portable Raman Spectrometers 378 17.3 Conclusions 393 Acknowledgement 395 References 395 18 Hyperspectral Proximal Sensing Instruments and Their Applications for Exploration Through Cover 401Carsten Laukamp, Monica LeGras and Ian Christopher Lau 18.1 Introduction 401 18.2 Field VNIR-SWIR Sensors 402 18.3 Field and Laboratory Fourier Transform Infrared Spectrometers 406 18.4 Hyperspectral Drill Core Sensing 408 18.5 Data Processing 408 18.6 Applications 412 18.7 Summary 416 Acknowledgements 418 References 418 19 Handheld X-Ray Fluorescence (HHXRF) 423Stanislaw Piorek 19.1 Introduction – X-Ray Fluorescence 423 19.2 How DidWe Get Here – Evolution of a Handheld XRF Analyzer 425 19.3 Contemporary HHXRF Analyzer: Construction and Operation 427 19.4 Calibration Methods 433 19.5 The Most Important Applications for HHXRF Analyzers 436 19.6 Remarks on Safety When Using HHXRF 448 19.7 Summary and Possible Future Developments for HHXRF 448 References 449 20 XRF and LIBS for Field Geology 455Bruno Lemiere and Russell S. Harmon 20.1 Introduction 455 20.2 X-Ray Fluorescence Spectroscopy (XRF) 457 20.3 Laser-Induced Breakdown Spectroscopy (LIBS) for Field Geology 471 20.4 Current Potential and Future Developments of Field-Portable XRF and LIBS 486 References 490 21 Portable Spectroscopy for Cultural Heritage 499Federica Pozzi, Adriana Rizzo, Elena Basso, Eva Mariasole Angelin, Susana França de Sá, Costanza Cucci and Marcello Picollo 21.1 Introduction 499 21.2 Instrumentation 501 21.3 Applications to Cultural Heritage Research 503 21.4 Conclusions 516 Acknowledgments 516 References 517 22 Portable Spectroscopy for On-Site and In Situ Archaeology Studies 523Mary Kate Donais and Peter Vandenabeele 22.1 Introduction 523 22.2 Molecular and Vibrational Spectroscopic Analysis 524 22.3 Atomic Spectroscopic Analysis 527 22.4 Case Study – Characterization of a Multiphased Stone Tower in Monterubliaglio, Umbria (Italy) by Portable X-ray Fluorescence Spectrometry 530 22.5 Conclusions 537 Acknowledgements 538 References 538 23 The Future of Portable Spectroscopy 545Richard A. Crocombe 23.1 Introduction 545 23.2 Optical Spectroscopy 545 23.3 General Technology Improvements 546 23.4 Raman Spectrometers 548 23.5 XRF and LIBS 549 23.6 GC-MS and LC-MS 550 23.7 Ion Mobility Spectrometry (IMS) and High-Pressure Mass Spectrometry (HPMS) 550 23.8 NMR (Relaxometry, or Time-Domain NMR) 551 23.9 Hyphenation 551 23.10 Smartphone Spectrometers 552 23.11 Spectrometers Embedded in Consumer Goods 553 23.12 Spectrometers Marketed Directly to Consumers 555 23.13 Emerging Applications for Portable Spectrometers 557 23.14 Portable Hyperspectral Imaging 559 23.15 Biological Analyzers 560 23.16 Algorithms, Databases, and Calibrations 560 23.17 Conclusions 561 Acknowledgements 561 References 562 Index 573

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Book SynopsisThis book provides complete step by step instruction, practical examples, guidance, and worksheets to meet the needs of a company licensed or competent unlicensed engineer that, by education or experience, understands the concepts presented in this book. This book will help engineers ensure that their company is in compliance with the new standard of dust collection systems by mitigating the exposed risks. The data is presented in tables and graphs along with examples that are based on actual, proven, practical designs to clearly illustrate application of the information provided. The book is broken down into two parts. Part 1 details structural analysis and design for reinforcing dust handling systems including Design criteria and general theory, Dust collector wall, roof and hopper sections, Access doors, hinges and latches, explosion vent ducts, blast deflectors, and filter bag cage design, Explosion vent duct weather covers, etc. Part 2 covers explosion relief elements and exploTable of ContentsForward xii Preface xvii How to use this book xix Part 1: Introduction Part 1: Structural analysis and design for reinforcing dust handling systems Chapter 1: Design criteria and general theory 1 Chapter 2: Square/Rectangular Dust Collectors: walls, roof and hopper sections 7 Chapter 3: Round Cylindrical Dust Colectors 43 Chapter 4: Reinforcing member to panel weld analysis and Port (nozzle) 58 Chapter 5: Access doors, hinges and latches 72 Chapter 6: Explosion vent ducts, mill air inlet ducts, blast deflectors, and 86 Chapter 7: Explosion vent duct weather covers 136 Chapter 8: Dust collector stability 144 Chapter 9: System explosion isolation 150 Chapter 10: Screw conveyors rotary airlock valves and isolation valves 152 Chapter 11: Grounding of systems 155 Chapter 12: Housekeeping 161 Appendix A: Part 1 worksheets 164 Part 2: Explosion relief element and flowing pressure (PRed) analysis 193 Chapter 13: Know your process dust characteristics 195 Chapter 14: Venting analysis of dust handling systems 200 Chapter 15: Duct back pressure considerations 220 Chapter 16: Other methods of explosion pressure reduction 229 Appendix 2: Part 2 worksheets 230 References 234 Index 235

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Book SynopsisIn view of their promising biological and pharmaceutical activities, natural product inspired and heterocyclic compounds have recently gained a reputation in the field of medicinal chemistry. Over the past decades, intensive research efforts have been ongoing to understand the synthesis, biochemistry and engineering involved in their preparation and action mechanisms. Several novel natural product derivatives, heterocyclic and other synthetic compounds, have been reported to have shown interesting biological activities including anticancer, antimicrobial, anti-inflammatory, anti-glycemic, anti-allergy and antiviral etc. Chemistry of Biologically Potent Natural Products and Synthetic Compounds provides up-to-date information on new developments and most recent medicinal applications of the natural products and derivatives, as well as the chemistry and synthesis of heterocyclic and other related compounds.Table of ContentsPreface xiii 1 Medicinal Importance of Plant Metabolites 1Sunita Panchawat and Chetna Ameta 1.1 Introductory Note 1 1.2 Primary and Secondary Metabolites 3 1.3 Functional Roles of Secondary Metabolites 3 1.4 Source and Production of Secondary Metabolites 4 1.5 Classification of Secondary Metabolic Substances 7 1.5.1 Terpenes 8 1.5.2 Phenol-Based Compounds 9 1.5.3 Nitrogen-Containing Secondary Metabolites 10 1.5.3.1 Alkaloids 10 1.5.4 Secondary Metabolites Having Sulfur 11 1.6 Bioactivity of Secondary Metabolites 12 1.6.1 As Antioxidants 12 1.6.2 As Antimicrobials 13 1.6.3 As Anti-Diabetics Agents 13 1.7 Conclusion and Future Perspectives 14 References 14 2 Advances in Natural Products-Based Antiviral Agents 21Zhipeng Fu, Luis Menéndez-Arias, Xinyong Liu and Peng Zhan 2.1 Introduction 21 2.2 Anti-HIV Agents 22 2.2.1 Terpenes 23 2.2.2 Phenylpropanoids 24 2.2.3 Anthraquinones 25 2.2.4 Alkaloids 26 2.3 Natural Alkaloids With Activity Against HBV and HCV Infections 26 2.4 Anti-Influenza Virus Agents 28 2.5 Natural Products Active Against Herpesviruses 30 2.6 Natural Products Against Chikungunya Virus 31 2.7 Natural Products Targeting Dengue Virus 32 2.8 Natural Products Targeting Coronaviruses 33 2.9 Natural Products Against Other Viral Infections 36 2.10 Conclusion 37 Acknowledgements 37 References 37 3 Bioactive Component of Black Pepper-Piperine: Structure-Activity Relationship and Its Broad-Spectrum Activity—An Overview 43Arthi Sivashanmugam and Sivan Velmathi List of Abbreviations 44 3.1 Introduction: What is a Natural Product? 44 3.2 Black Pepper 48 3.2.1 Constituents of Black Pepper 51 3.2.2 Major Alkaloids of Black Pepper 51 3.3 Piperine—Active Molecule of Pepper 52 3.3.1 Isolation of Piperine 52 3.3.2 Piperine as Potential Drug 54 3.3.2.1 Metabolism of Piperine 54 3.3.2.2 Structure-Activity Relationship 55 3.3.2.3 Piperine and Piperine Analogs 59 3.3.2.4 Synergistic Activity of Piperine 72 3.4 Overall Summary and Conclusion 88 References 89 4 Chemoenzymatic Synthesis of Pharmacologically Active Compounds Containing Chiral 1,2-Amino Alcohol Moiety 93Pankaj Gupta and Neha Mahajan 4.1 Introduction 94 4.1.1 Chirality 94 4.1.2 Biocatalysis 96 4.1.2.1 Biocatalysis is Green and Sustainable 97 4.1.2.2 Industrial Applications of Biocatalysts 98 4.1.3 Vicinal Amino Alcohols 99 4.2 Synthetic Approaches Toward 1,2-Amino Alcohols 102 4.2.1 Chemoenzymatic Synthesis of L-Norephedrine 102 4.2.2 Synthesis of Valinol 106 4.2.3 Chemoenzymatic Synthesis of Atazanavir 107 4.2.4 Chemoenzymatic Synthesis of Levamisole 107 4.2.5 Chemoenzymatic Synthesis of Optically Active (R)- and (S)-Aryloxypropanolamines 108 4.2.6 Chemoenzymatic Preparation of Trans-(1R,2R)-and Cis (1S,2R)-1-Amino-2-Indanol 112 4.2.7 Synthesis of Enantiomerically Pure 2-Aminopentane-1,3-Diol and 2-Amino-1,3,4-Butanetriol (ABT) 113 4.2.8 Synthesis of Optically Active Cytoxazone 115 4.2.9 Chemoenzymatic and Highly Integrated Synthesis of (S)-Tembamide 116 4.2.10 Chemoenzymatic Synthesis of Paclitaxel C13 Side Chain 117 4.3 Conclusion 118 Acknowledgements 119 References 119 5 1,4-Naphthoquinone: A Privileged Structural Framework in Drug Discovery 133Umar Ali Dar, Mehnaz Kamal and Shakeel A. Shah 5.1 Introduction 133 5.1.1 Overview 134 5.2 Various Targets of 1,4-Naphthoquinone for Its Actions 135 5.2.1 Bacterial Topoisomerase II-DNA Gyrase for Antibacterial Action 135 5.2.2 Mammalian Topoisomerases I and II for Antitumor Action 135 5.2.3 HIV-1 Integrase and Proteinase for or Antiviral Action 135 5.2.4 Dihydroorotate Dehydrogenase for Antimalarial Action 136 5.2.5 Trypanothione and Trypanothione Reductase (TryR) for Leishmanicidal Action 137 5.2.6 Mitochondrial Cytochrome (Coenzyme Q) for Antifungal Action 137 5.3 Antifungal Activity 137 5.4 Antibacterial Activities 140 5.5 Anticancer Activity 142 5.6 Antileishmanial Activity 145 5.7 Antimalarial Activity 147 5.8 Antiviral Activity 149 5.9 Conclusion 149 Acknowledgments 150 References 150 6 Design and Synthesis of Spirobiisoxazoline Derivatives 155K. Jones Madhuswapnaja, Satyanarayana Yennam and Murthy Chavali 6.1 Introduction 155 6.2 Literature Review on Spiroisoxazolines 157 6.2.1 Chemistry 157 6.2.2 Previous Approaches 159 6.2.3 Biological Importance 163 6.3 Literature Review on Quinones 166 6.3.1 Chemistry 166 6.3.2 Synthetic Approach 167 6.3.3 Biological Importance 169 6.4 Review on 1,3 Dipolar Cycloadditions of Oxime Chloride With Allenoates 171 6.5 Present Work; Spirobiisoxazoline 172 6.5.1 Results and Discussion 172 6.5.1.1 Synthetic Studies 172 6.5.1.2 Spectral Analysis 176 6.5.2 Experimental Section 178 6.6 Conclusion 179 References 179 7 Potential of Metal Complexes for the Treatment of Cancer: Current Update and Future Prospective 183Shipra Yadav 7.1 Introduction 184 7.2 Conclusion and Future Prospective 195 References 196 8 Design, Synthesis, and Biological Evaluation of Aziridynyl Quinone Derivatives 205K. Jones Madhuswapnaja, Satyanarayana Yennam and Murthy Chavali 8.1 Introduction 206 8.2 Aziridines 207 8.2.1 Literature Review 207 8.2.2 Synthetic Approach 208 8.2.3 Biological Importance 209 8.3 Quinones 211 8.3.1 Literature Review 211 8.3.2 Synthetic Approach 213 8.3.3 Biological Importance 215 8.4 Aziridinyl Quinone Derivatives 217 8.4.1 Present Work 219 8.4.2 Synthetic Studies 220 8.4.2.1 Confirmation of Regioisomers 63 and 63a 223 8.4.2.2 Confirmation of Regioselectivity for Diaziridinyl Compounds 227 8.4.3 Biological Evaluation 228 8.4.3.1 Antibacterial Activity 229 8.4.3.2 Minimum Bactericidal Concentration 230 8.4.3.3 Biofilm Inhibition Assay 233 8.4.3.4 Antifungal Activity 235 8.4.3.5 Minimum Fungicidal Concentration 237 8.4.3.6 Cytotoxic Activity 237 8.4.4 Experimental Section 241 8.4.4.1 Chemistry 241 8.4.4.2 Biological Studies 243 8.5 Conclusion 246 References 247 9 Exploring the Promising Anticancer and Antimicrobial Potential of Bioactive Triazoles and Their Related Compounds 251Manzoor Ahmad Malik, Ovas Ahmad Dar, Nitu Singh, Gulshitab Aalam and Athar Adil Hashmi 9.1 Introduction 252 9.2 Anticancer Triazole Derivatives 256 9.3 Antimicrobial Triazole Derivatives 267 9.4 Conclusion 275 References 276 10 Fused Triazolo Isoquinoline Derivatives—Design, Synthesis, and Biological Evaluation 281K. Jones Madhuswapnaja, Satyanarayana Yennam and Murthy Chavali 10.1 Introduction 282 10.2 Literature Review on 1,2,4 Triazoles 283 10.2.1 Chemistry 283 10.2.2 Synthetic Approach 284 10.2.3 Biological Importance 287 10.3 Review on Isoquinoline and Fused Triazolo Isoquinolines 292 10.4 Present Work 294 10.5 Results and Discussion 294 10.5.1 Synthetic Studies 294 10.5.1.1 Confirmation of Regioisomer 298 10.5.2 Spectral Analysis 299 10.5.2.1 1H NMR Spectral and Mass Analysis 299 10.5.2.2 13C NMR Spectral Analysis 299 10.5.3 Biological Studies 299 10.5.3.1 Antifungal Activity 300 10.5.3.2 Minimum Fungicidal Concentration 300 10.5.3.3 Ergosterol Biosynthesis Inhibition 303 10.5.3.4 Cytotoxic Activity 305 10.5.4 Molecular Docking Studies 305 10.5.5 Experimental Section 309 10.5.5.1 Chemistry 309 10.5.5.2 Biological Studies 311 10.5.6 Molecular Modeling Procedure 314 10.6 Conclusion 314 References 315 11 Amide as a Potential Pharmacophore for Drug Designing of Novel Anticonvulsant Compounds 319Mehnaz Kamal, Talha Jawaid, Umar Ali Dar and Shakeel A. Shah 11.1 Introduction 320 11.2 Chemistry of Amides 321 11.2.1 Synthesized Methods Utilized for Amide Bond Formation 321 11.2.2 Amide Pharmacophore Containing Anticonvulsant Drug 322 11.2.3 Anticonvulsant Activity 322 11.3 Conclusion 337 Acknowledgments 337 References 337 12 Nitric Oxide, Carbon Monoxide, and Hydrogen Sulfide as Biologically Important Signaling Molecules With the Significance of Their Respective Donors in Ophthalmic Diseases 343R. C. Maurya and J. M. Mir 12.1 Introduction 344 12.2 A Meaningful Introduction to Gasotransmitters 346 12.3 Biosynthesis and Target of NO, CO, and H2S 347 12.3.1 Biological Synthesis and Target of NO 347 12.3.2 Biological Production and Target of CO 349 12.3.3 Biosynthesis and Target Sites of H2S 353 12.4 Gasotransmitters in the Mission of Vision (Eye-Health Contribution) 357 12.4.1 NO News is Good News for Eyes: NO Donors for the Treatment of Eye Diseases 357 12.4.1.1 Nitric Oxide Releasing Molecules (NORMS) and the IOP 359 12.4.2 Carbon Monoxide, CORMS, and the Ocular System 363 12.4.3 Hydrogen Sulfide and Ophthalmic Diseases 367 12.5 Concluding Remarks and Future Outlook 368 References 368 13 Influence of rol Genes for Enhanced Biosynthesis of Potent Natural Products 379Erum Dilshad, Huma Noor, Nabgha Nosheen, Syeda Rehab Gilani, Umar Ali and Mubarak Ali Khan 13.1 Introduction 380 13.2 Secondary Metabolites or Natural Products 381 13.2.1 Classes of Natural Products (Secondary Metabolites) 382 13.2.1.1 Terpenoids 382 13.2.1.2 Phenolic Compounds 383 13.2.1.3 Alkaloids 383 13.2.2 Strategies to Enhance Natural Products 383 13.2.2.1 Plant Cell Culture (Somaclonal Variation) 384 13.2.2.2 Genetic Transformation of Plant Cell 384 13.2.2.3 Multiple Gene Transfer Through Improving Vectors 385 13.2.3 Genetic Engineering/Metabolic Engineering 385 13.3 rol Genes 386 13.3.1 Origin of rol Genes 387 13.3.2 Types of rol Genes 388 13.3.2.1 The rolA Gene 388 13.3.2.2 The rolB Gene 389 13.3.2.3 The rolC Gene 390 13.3.2.4 The rolD Gene 391 13.3.3 The Combined Effect of Genes rol on Secondary Metabolism 392 13.4 Mechanism of Action of rol Genes 393 13.4.1 How rol Genes Regulate ROS Production and Mediate Secondary Metabolites Production 393 13.4.1.1 Agrobacterium (rol Gene) and ROS 393 13.4.1.2 Plants Secondary Metabolism and ROS 394 13.4.1.3 Stabilization of Secondary Metabolites Biosynthesis Through rol Genes 395 13.5 Impact of rol Gene on Different Secondary Metabolites 395 13.5.1 Impact of rol Gene on Alkaliods 395 13.5.2 Impact of rol Genes on Flavonoids 396 13.5.3 Impact of rol Genes on Terpenoids 396 13.6 Conclusion 397 References 397 Index 405

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Book SynopsisThis book is organized into 12 important chapters that focus on the progress made by metal-based drugs as anticancer, antibacterial, antiviral, anti-inflammatory, and anti-neurodegenerative agents, as well as highlights the application areas of newly discovered metallodrugs. It can prove beneficial for researchers, investigators and scientists whose work involves inorganic and coordination chemistry, medical science, pharmacy, biotechnology and biomedical engineering.Table of ContentsPreface xiii 1 Metallodrugs in Medicine: Present, Past, and Future Prospects 1Imtiyaz Yousuf and Masrat Bashir 1.1 Introduction 2 1.2 Therapeutic Metallodrugs 6 1.2.1 Anticancer Metallodrugs 6 1.2.1.1 Mechanism of Anticancer Action 7 1.2.2 Antimicrobial and Antiviral Metallodrugs 15 1.2.2.1 Antimicrobial Metallodrugs 15 1.2.2.2 Antiviral Metallodrugs 16 1.2.3 Radiopharmaceuticals and Radiodiagnostic Metallodrugs 17 1.2.4 Anti-Diabetic Metallodrugs 19 1.2.5 Catalytic Metallodrugs 22 1.3 Future Prospects 23 1.4 Conclusion 25 References 26 2 Chemotherapeutic Potential of Ruthenium Metal Complexes Incorporating Schiff Bases 41Manzoor Ahmad Malik, Parveez Gull, Ovas Ahmad Dar, Mohmmad Younus Wani, Md Ikbal Ahmed Talukdar and Athar Adil Hashmi 2.1 Introduction 42 2.2 Schiff Base Complexes of Ruthenium as Anticancer Agents 43 2.3 Conclusion 63 References 64 3 Role of Metallodrugs in Medicinal Inorganic Chemistry 71Manish Kumar, Gyanendra Kumar, Arun Kant and Dhanraj T. Masram 3.1 Introduction 72 3.2 Platinum Anticancer Drugs 74 3.2.1 Nucleophilic Displacement Reactions in Complexes of Platinum 80 3.2.2 Mode of the Interaction of Cisplatin Species With Nitrogen Donors of DNA Strand 80 3.2.3 Systemic Toxicity of Cisplatin 82 3.3 Copper-Based Anticancer Complexes 82 3.3.1 Copper is Essential for Health and Nutrition 82 3.3.2 Healthcare Applications of Copper 83 3.3.3 Copper and Human Health Disorders 83 3.3.3.1 Wilson’s Disease (WD) 84 3.3.3.2 Menkes’ Disease 85 3.3.4 Role of Copper Complexes as Potential Therapeutic Agents 85 3.3.4.1 Thiosemicarbazones-Based Complexes 86 3.3.4.2 Quinolones-Based Copper Complexes 88 3.3.4.3 Naphthoquinones 88 3.4 Zinc Anticancer Complexes 89 3.4.1 Biologically Importance of Zinc 90 3.4.2 Schiff Base Chemistry 92 3.4.2.1 Schiff Base and Their Metal Complexes 92 3.4.3 Zinc-Based Complexes 93 3.4.4 Top Food Sources of Zinc 94 3.4.5 Role of Zinc in Human Body 97 3.4.6 Zinc as a Health Benefit 98 3.4.7 Zinc in Alloy and Composites 100 3.4.8 Zinc Supplementation as a Treatment 100 3.4.8.1 Zinc Deficiency 101 3.4.8.2 Zinc Toxicity 102 3.4.8.3 Zinc and Viral Infections 102 3.4.9 Gastrointestinal Effects 103 3.5 Future Prospects of Metallodrugs 103 References 104 4 Ferrocene-Based Metallodrugs 115Hamza Shoukat, Ataf Ali Altaf and Amin Badshah 4.1 Introduction 115 4.2 Ferrocene-Based Antimalarial Agents 117 4.2.1 Mechanism of Action 118 4.3 Ferrocene-Based Antibacterial and Antifungal Drugs 118 4.3.1 Schiff Base Derived Ferrocene Conjugates as Antibacterial Agents 119 4.3.2 Ferrocenyl Guanidines as Antibacterial and Antifungal Agents 121 4.3.3 Sedaxicene as Antifungal Agents 122 4.4 Ferrocene-Based Anti-Tumor and Anti-Cancerous Drugs 123 4.4.1 Ferricenium Salts as Anti-Tumor Agents 124 4.4.2 Ferrocenylalkylazoles Active Anti-Tumor Drugs 124 4.4.3 Ferrocene Conjugated to Peptides for Lung Cancer 125 4.4.4 Ferrocenylalkyl Nucleobases Potential Anti-Cancerous Drugs 126 4.4.5 Ferrocenyl Sub-Ordinates of Illudin-M 126 4.4.6 Ferrocenyl Derivatives of Retinoids Potential Anti-Tumor Drug 127 4.4.7 Targeting Breast Cancer With Selective Ferrocene-Based Estrogen Receptor Modulators (SERM) 128 4.5 Conclusion 131 4.6 Future of Ferrocene-Based Drugs 131 References 132 5 Recent Advances in Cobalt Derived Complexes as Potential Therapeutic Agents 137Manzoor Ahmad Malik, Ovas Ahmad Dar and Athar Adil Hashmi 5.1 Introduction 137 5.2 Cobalt Complexes as Potential Therapeutic Agents 138 5.3 Conclusion 153 References 154 6 NO-, CO-, and H2S-Based Metallopharmaceuticals 157R. C. Maurya and J. M. Mir 6.1 Introduction 158 6.2 Signaling Molecules: Concept of “Gasotransmitter” 160 6.2.1 Therapeutic Applications of NO, CO, and H2S 162 6.2.1.1 Exogenous NO Donating Molecules 163 6.3 NO Donors Incorporated in Polymeric Matrices 167 6.3.1 Metal Nitrosyl Complexes 168 6.3.1.1 Sodium Nitroprusside (SNP) 168 6.4 Dinitrosyl Iron Thiol Complexes (DNICs) 170 6.5 Photoactive Transition Metal Nitrosyls as NO Donors 170 6.6 Exogenous CO Donating Molecules 173 6.7 H2S Donating Compounds 176 6.7.1 H2S Gas: A Fast Delivering Compound 176 6.7.2 Sulfide Salts: Fast Delivering H2S Compounds 177 6.7.3 Synthetic Moieties 178 6.7.3.1 Slow-Delivering H2S Compounds 178 6.7.3.2 H2S-Releasing Composite Compounds 179 6.7.4 Naturally Occurring Plant Derived Compounds 182 6.7.4.1 Garlic 182 6.7.4.2 Broccoli and Other Cruciferous Vegetables 184 6.8 Concluding Remarks and Future Outlook 185 References 186 7 Platinum Complexes in Medicine and in the Treatment of Cancer 203Rakesh Kumar Ameta and Parth Malik 7.1 What is Cancer? 203 7.1.1 Characteristic Features of Cancer Cells 205 7.1.2 Definition of Anticancer Compound 206 7.1.3 Anticancer Attributes of Pt Complexes 207 7.1.4 Native State Behavior of Pt Complexes 208 7.2 Compatibility of Pt Compounds in Cancer Treatment 209 7.2.1 Significance of DNA as Primary Target 209 7.2.2 Kinetics of DNA Binding Activities 210 7.2.3 Structural and Regioselectivity of DNA Adducts 210 7.2.4 Studies on Action Mechanism 211 7.3 Pt Complexes as Anticancer Drugs 214 7.3.1 DNA-Coordinating Pt(II) Complexes 214 7.3.2 DNA-Covalently Binding Pt(II) Complexes 219 7.3.3 Targeted Pt(II) Complexes 222 7.3.4 Pt(IV) Prodrugs 224 7.3.5 Multiple Action of Pt(IV) Prodrugs 225 7.3.6 Targeted Pt(IV) Prodrugs 228 7.3.7 Photodynamic Killing of Cancer Cell by Pt Complexes 231 7.4 Conclusion 231 Acknowledgments 232 References 232 8 Recent Advances in Gold Complexes as Anticancer Agents 247Mohammad Nadeem Lone, Zubaid-ul-khazir, Ghulam Nabi Yatoo, Javid A. Banday and Irshad A. Wani 8.1 Introduction 248 8.2 Evolution of Metal Complexes as Anticancer Agents 250 8.3 Gold Complexes 251 8.3.1 Complexes with Nitrogen Donar Ligands 252 8.3.2 Complexes with Sulphur Donar Ligands 254 8.3.3 Complexes with Phosphorus Donar Ligands 255 8.3.4 Complexes with Sulphur-Phosphorus Donar Ligands 256 8.3.5 Organometallic Gold Complexes 259 8.3.6 Miscellaneous 260 8.4 Nano-Formulations of Gold Complexes 262 8.5 Future Challenges and Perspectives 263 8.6 Conclusion 265 Acknowledgements 266 References 266 9 Recent Developments in Small Molecular HIV-1 and Hepatitis B Virus RNase H Inhibitors 273Fenju Wei, Dongwei Kang, Luis Menéndez-Arias, Xinyong Liu and Peng Zhan 9.1 Introduction 273 9.1.1 Activity and Function of HIV and HBV RNases H 274 9.1.2 The Metal-Chelating RNase H Active Site 274 9.2 RNase H Inhibitors and Strategies in the Discovery of Active Compounds 276 9.2.1 High-Throughput Screening 276 9.2.2 Design Based on Pharmacophore Models 278 9.2.3 Novel Inhibitors Obtained by Using “Click Chemistry” 279 9.2.4 Dual-Target Inhibitors Against HIV-1 Integrase (IN) and RNase H 280 9.2.5 Inhibitors Obtained by Using Privileged Fragment-Based Libraries 282 9.2.6 RNase H Inhibitors in Natural Products 283 9.2.7 Drug Repurposing Based on Privileged Structures 284 9.3 Conclusion 286 References 287 10 The Role of Metals and Metallodrugs in the Modulation of Angiogenesis 293Mehmet Varol and Tuğba Ören Varol 10.1 Introduction 294 10.2 Metallodrugs in Anticancer Therapy 297 10.3 Angiogenesis as a Substantial Target of Tumorigenesis 300 10.4 Metals and Metallodrugs in Angiogenesis 302 10.5 Concluding Remarks and Future Prospects 306 References 306 11 Metal-Based Cellulose: An Attractive Approach Towards Biomedicine Applications 319Kulsoom Koser and Athar Adil Hashmi 11.1 Introduction 320 11.2 History of Cellulose 320 11.3 The Properties and Structure of Cellulose 321 11.4 Modification of Cellulose 322 11.4.1 Acid Hydrolysis 322 11.4.2 Oxidation 324 11.4.3 Esterification 326 11.4.4 Amidation 331 11.4.5 Carbamiation 333 11.4.6 Etherification 336 11.4.7 Nucleophilic Substitution 339 11.4.8 Further Modification 341 11.5 Present and Future Medical Applications of Cellulose as Well as Its Components 344 11.5.1 Cellulose Used as Wound Dressing 344 11.5.2 Dental Applications 345 11.5.3 Engineering 346 11.5.4 Controllable Drug Delivery System 348 11.5.5 Blood Purification 348 11.5.6 Wrapping Purpose 350 11.5.7 Renal Failure 351 11.6 Conclusion 351 References 352 12 Multifunctional Nanomedicine 363Nobel Tomar, Maroof A. Hashmi and Athar Adil Hashmi 12.1 Introduction 364 12.2 Diagnostics and Imaging 366 12.3 Drug Delivery and Therapy 369 12.3.1 Drug Delivery by Organic Nanomaterials 369 12.3.1.1 Liposomal Drug Delivery 369 12.3.1.2 Polymeric Drug Delivery 371 12.3.1.3 Proteins and Peptides for Drug Delivery 373 2.3.2 Drug Delivery by Inorganic Nanomaterials 374 12.3.2.1 Metal and Metal Oxides 374 12.3.2.2 Au NPs 375 12.3.2.3 Carbon-Based NPs 375 12.3.2.4 Silicon-Based Nanostructures for Drug Delivery 378 12.3.3 Photo Therapy 379 12.3.3.1 Photodynamic Therapy 380 12.3.3.2 Photothermal Therapy 381 12.3.4 Radiation Therapy 383 12.3.5 Neutron Capture Therapy 384 12.4 Regenerative Medicine 385 12.5 Future Prospects and Conclusion 386 References 387 Index 403

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Book SynopsisExplore the world of biocomposites with this one-stop resource edited by four international leaders in the field Bio-basedComposites: Characterization, Properties, and Applicationsdelivers a comprehensive treatment of all known characterization methods, properties,and industry applications ofbio-basedcomposites materials.This unique, one-stop resource covers all major developments in the field from the last decade of research into this environmentally beneficial area. The internationally recognized editors have selected resources that represent advances in the mechanical, thermal, tribological, and water sorption properties of bio-based composites, and cover new areas of research in physico-chemical analysis, flame retardancy, failure mechanisms, lifecycle assessment, and modeling of bio-based composites. The low weight, low cost, excellent thermal recyclability, and biodegradability of bio-based composites make them ideal candidates toreplace engiTable of ContentsList of Contributors ix Preface xii 1 Introduction to Biobased Composites 1Faris M. AL-Oqla 1.1 Introduction 1 1.2 Biodegradable Materials 3 1.3 Polymers in Tissue Engineering 3 1.4 Environmental Realization 5 1.4.1 Green Biomass-based Composites 6 1.4.2 Selection Considerations 6 1.4.2.1 Materials Implementation Requirements 6 1.4.2.2 Material Cost 7 1.5 Biomass Composites Characteristics and Testing 7 1.6 Life-cycle Assessment 9 1.7 Conclusions 10 References 11 2 Processing Methods for Manufacture of Biobased Composites 15P. Shenbaga Velu, N. J. Vignesh, and N. Rajesh Jesudoss Hynes 2.1 Introduction 15 2.2 Biobased Materials 16 2.3 Processing Methods 17 2.4 Fabrication Techniques of Biobased Composites 19 2.4.1 Solvent Casting and Particulate Leaching 20 2.4.2 Emulsion Freeze Drying 21 2.4.3 Electrospinning 21 2.4.4 Blow Film Extrusion 22 2.4.5 3D Printing 22 2.5 Fillers and Reinforcements Used in the Preparation of Biobased Composites 23 2.5.1 Biobased Fillers/Reinforcements with Non-biobased Polymers 23 2.5.2 Non-biobased Fillers/Reinforcements with Biobased Polymers 23 2.5.3 Biobased Filler/Reinforcement and Biobased Polymer 24 2.6 Conclusion 24 References 25 3 Physicochemical Analysis of Biobased Composites 29N. J. Vignesh, P. Shenbaga Velu, and N. Rajesh Jesudoss Hynes 3.1 Introduction 29 3.2 Performance of Biocomposites 29 3.2.1 Tensile Properties 30 3.2.2 Flexural Properties 31 3.2.3 Impact Properties 32 3.2.4 Creep 33 3.2.5 Brittleness and Ductility 34 3.2.6 Toughness 34 3.3 Physicochemical Properties 34 3.4 Conclusion 36 References 36 4 Characterization of Biobased Composites 39Anna Sienkiewicz and Piotr Czub 4.1 Introduction 39 4.2 The Conception of Composites 39 4.3 Classification of Biocomposites 40 4.4 Materials for the Synthesis of Biobased Composites 41 4.4.1 Biopolymers as Matrix of Green Composites 42 4.4.2 Fibers as Natural Reinforcement 43 4.5 Challenges of the Introduction of Natural Fiber 46 References 50 5 Mechanical, Thermal, Tribological, and Dielectric Properties of Biobased Composites 53T. Senthil Muthu Kumar, K. Senthilkumar, M. Chandrasekar, S. Karthikeyan, Nadir Ayrilmis, N. Rajini, and Suchart Siengchin 5.1 Introduction 53 5.2 Characterization of Biobased Composites 53 5.3 Factors Influencing Various Properties of the Biobased Composites 55 5.3.1 Constituents of Biobased Composites 55 5.3.2 Fabrication Techniques of Biobased Composites 56 5.3.3 Aging and Their Impact on the Composite Properties 59 5.4 Mechanical Properties of Biobased Composites 59 5.5 Thermal Properties of Biobased Composites 61 5.5.1 Thermogravimetric Analysis of Biobased Composites 63 5.5.2 Dynamic Mechanical Analysis of Biobased Composites 64 5.6 Tribological Properties of Biobased Composites 65 5.7 Dielectric Properties of Biobased Composites 67 5.8 Conclusions 69 References 70 6 Flame Retardancy of Biobased Composites 75N. B. Karthik Babu, T. Ramesh, and Mohit Hemath Kumar 6.1 Introduction 75 6.1.1 Flame Retardants 77 6.1.2 Types of Flame Retardants 78 6.2 Types of Biobased Polymer Composites Used in a Flame-Retardant Application 79 6.3 Role and Effect of Natural Byproducts on the Flame-Retardant Behavior of a Biocomposite 79 6.3.1 Flammability of Biochar Reinforced Biocomposites 79 6.3.2 Commonly Used Agro-wastes to Improve the Flame Retardancy of a Biocomposite 81 6.4 Role and Effect of Biobased Natural Fibers on the Flammability of a Biocomposite 83 6.5 Summary 84 References 84 7 Failure Mechanisms of Biobased Composites 87Dipen Kumar Rajak, Durgesh D. Pagar, and Catalin I. Pruncu 7.1 Introduction 87 7.1.1 Fiber Reinforcements in Biobased Composites 88 7.1.2 Fiber Failures 88 7.1.2.1 Fiber–Matrix Debonding 88 7.1.2.2 Fiber Pullout 89 7.1.2.3 Tear Type Failure 90 7.1.3 Fiber Pretreatments 90 7.1.3.1 Defibration 90 7.1.3.2 Surface Modification 91 7.1.3.3 Coupling Agent 91 7.2 Matrix Materials for Biobased Composites 91 7.2.1 Matrix Failure 93 7.2.2 Matrix Treatment 93 7.3 Trends in Biobased Composites 93 7.3.1 Wood Plastic Composites 94 7.3.1.1 Failure in WPC 95 7.3.2 Hybrid Combination 96 7.4 Adapted Manufacturing Technologies 97 7.4.1 Injection Molding 97 7.4.2 Liquid Composite Molding 98 7.5 Other Failure Criteria 98 7.6 Conclusion 100 References 100 8 Recent Advances and Technologies of Biobased Composites 107E. Biswas, S. Hawkins, K. Monroe, T. F. Garrison, and R. L. Quirino 8.1 Introduction 107 8.2 Recent Advances on Biobased Matrices 108 8.2.1 Carbohydrate-Based Matrices 108 8.2.2 Plant Oil-Based Matrices 109 8.2.3 Biobased Polyester Matrices 110 8.2.4 Natural Rubber 111 8.2.5 Collagen 111 8.3 Recent Advances on Biobased Reinforcements 112 8.3.1 Biobased Fiber Reinforcements 112 8.3.2 Wood Biochar-Based Reinforcements 114 8.3.3 Biobased Nanocomposite Reinforcements 114 8.3.3.1 Cellulose Nanocomposites 114 8.3.3.2 Other Nanocomposites 115 8.4 Recent Advances on Biobased Composite Processing 115 8.4.1 Extrusion and Injection Molding Techniques 116 8.4.2 Wet Lay-Up Techniques 116 8.4.3 3D Printing of Biobased Composites 116 8.5 Conclusion 117 References 118 9 Biocomposites for Energy Storage 123M. Ramesh, J. Maniraj, and L. Rajesh Kumar 9.1 Introduction 123 9.2 Fundamental Concepts 124 9.2.1 Background 124 9.3 Selection Parameters for Biocomposites 126 9.3.1 Host Response and Biocompatibility 126 9.3.2 Biofunctionality 126 9.3.3 Functional Tissue Structure and Pathobiology 126 9.3.4 Toxicology 127 9.3.5 Design and Manufacturability 127 9.3.6 Mechanical Properties 127 9.3.7 Corrosion Resistance 127 9.3.8 Wear and Fatigue Resistance 128 9.4 Biocomposites for Energy Storage 128 9.5 Bioinspired Composite Materials 130 9.6 Bioinspired Composites for Energy Storage 131 9.7 Enzyme-Based Materials 133 9.8 Biosensing/Bioimaging Applications 133 9.9 Conclusion 135 References 136 10 Analysis of the Physical and Mechanical Properties of A Biobased Composite with Sisal Powder 143Kátia Moreira, Thiago Santos, Caroliny Santos, Rubens Fonseca, Moises Melo, and Marcos Aquino 10.1 Introduction 143 10.2 Biobased Composites 143 10.3 Polyester Matrix Composites 143 10.4 Manufacture of Composites 144 10.5 Physical–Mechanical Tests 144 10.6 Analysis of Physical and Mechanical Properties 146 10.7 Conclusions 149 Acknowledgments 150 References 150 11 Physico-Mechanical Properties of Biobased Composites 153A. V. Kiruthika 11.1 Introduction 153 11.1.1 Biobased Fibers 155 11.1.2 Biobased Matrices 155 11.2 Physico-Mechanical Property of the Biobased Composites 155 11.2.1 Density of Biobased Composites 155 11.2.2 Mechanical Properties of Biobased Composites 157 11.3 Applications of Biobased Composites 163 11.4 Conclusions 163 References 164 12 Synthesis and Utilization of Biodegradable Polymers 167Lalit Ranakoti, Brijesh Gangil, Pawan Kumar Rakesh, and Nikita Agrawal 12.1 Introduction 167 12.2 Synthesis Techniques of Biodegradable Polymers 167 12.2.1 By Modifying Natural Polymers 167 12.2.2 Polymers Synthesized by Chemicals 169 12.2.3 Polymers Synthesized by Microorganisms 169 12.2.4 Synthesis by Enzymes 169 12.2.5 Synthesis by Chemo-Enzymes 169 12.3 Biodegradable Polymers and Their Synthesis 170 12.3.1 Starch 170 12.3.2 Polylactic Acid 170 12.3.3 Polycaprolactone 170 12.3.4 Polyhydroxyalkanoates/Polyhydroxybutyrate 170 12.3.5 Starch–Polyolefin Blends 171 12.3.6 Starch–Polyester Blends 171 12.3.7 Starch–PLA Blends 171 12.4 Applications of Biopolymers in Industries 171 12.5 Conclusion 172 References 172 13 Forecasts of Natural Fiber Reinforced Polymeric Composites and Its Degradability Concerns – A Review 175D. Divya, S. Indran, M. R. Sanjay, and Suchart Siengchin 13.1 Introduction 175 13.2 Recent Trends of Natural Fiber Production from Plants 176 13.3 Magnitude of Natural Fibers at this Juncture 179 13.4 Constraints and Competence of Natural Fibers 185 13.5 Degradability of Polymeric Natural Fiber Composites 187 13.6 Marine Application of Natural Fiber Composites and Its Degradation 189 13.7 Conclusion 190 Acknowledgments 190 References 190 14 Biofibers and Biopolymers for Biocomposites – in the Eyes of Spectroscopy 197Madhu Yadav, Jamal Akhter Siddique, Aftab Aslam Parwaz Khan, Anish Khan, and Abdullah M. Asiri 14.1 Introduction 197 14.1.1 Polylactic Acid 198 14.1.2 Polyhydroxyalkanoates 199 14.1.3 Polycaprolactone 199 14.2 Characterization 199 14.2.1 Scanning Electron Microscopy 200 14.2.1.1 Morphological Inspection by SEM 200 14.2.1.2 Degree of Adhesion by SEM 201 14.2.1.3 Water Absorption of Composites by SEM 202 14.2.2 Optical Microscopy 202 14.2.3 Atomic Force Microscopy 203 14.2.4 Transmission Electron Microscopy 203 14.2.5 Spectroscopic Techniques 203 14.2.5.1 NMR Analysis 203 14.2.5.2 Infrared Spectroscopy (IR) 205 14.2.5.3 Acoustic Emission Spectrometry 207 14.3 Conclusions 208 References 208 15 Environmental Impact Study on Biobased Composites Using Lifecycle Methodology 213P. Ramesh, H. Mohit, and V. Arul Mozhi Selvan 15.1 Introduction 213 15.2 Lifecycle Assessment 214 15.2.1 Goal and Scope 214 15.2.2 Inventory Data 214 15.2.3 Impact Assessment 215 15.2.4 Interpretation 215 15.3 Simplified Case Study 215 15.4 Goal and Scope 215 15.5 System Boundary 215 15.6 Inventory Analysis 215 15.7 Impact Assessment 217 15.8 Results 217 15.8.1 Normalization 218 15.9 Conclusion 221 References 221 Index 223

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Book SynopsisGUIDELINES FOR REVALIDATING A PROCESS HAZARD ANALYSIS This book is derived from the experience of many companies in the chemical and hydrocarbon processing industries, and presents demonstrated, concise, and common sense approaches for a resource-effective revalidation of process hazard analyses (PHAs). It includes flowcharts, checklists, and worksheets that provide invaluable assistance to the revalidation process. The new edition, now as a guideline, provides a compete and thorough update of the first book and will provide much needed and requested guidance on PHA Revalidations including evaluating Prior PHA Studies, Identifying an Appropriate Revalidation Methodology, Preparing and Conducting the Revalidation Study Sessions, and Documenting the Revalidation Study.Table of ContentsList of Tables ix List of Figures ix Acronyms and Abbreviations x Glossary and Nomenclature xii Acknowledgments xiv Preface xvi Dedication xvii Introduction xix Objective of this Book xix Scope of this Book xix How to Use This Guidelines Book xx 1 OVERVIEW OF THE PHA REVALIDATION PROCESS 1 1.1 What is a PHA and What is a PHA Intended to Accomplish? 2 1.2 Overview of Typical PHA Activities 4 1.2.1 PHA Core Methodology 4 1.2.2 PHA Complementary Analyses 6 1.3 General Risk Assessment Principles 8 1.3.1 Risk and Risk Tolerance 8 1.3.2 Supplemental Risk Assessments 9 1.4 PHA Revalidation Objectives 11 1.5 PHA Revalidation Concept 14 1.6 PHA Revalidation Cycle 16 1.7 The Role of a PHA Revalidation Procedure 19 1.8 Relationship of RBPS Pillars to a PHA Revalidation 21 2 PHA REVALIDATION REQUIREMENTS 23 2.1 External Legal/Regulatory Requirements 23 2.1.1 General Obligations 25 2.1.2 Specific RAGAGEPs 26 2.2 Internal Company Policy Requirements 28 2.2.1 Compliance-Driven Policies 29 vi Guidelines for Revalidating a Process Hazard Analysis 2.2.2 EHS-Driven Policies 29 2.2.3 Value-Driven Policies 30 2.3 Internal Company Drivers That Impact Revalidation 31 2.4 Principles for Successful Definition of Revalidation Requirements 33 3 EVALUATING THE PRIOR PHA 35 3.1 Prior PHA Essential Criteria 38 3.1.1 Prior PHA Methodology Used 38 3.1.2 Prior PHA Inputs 40 3.1.3 Prior PHA Scope 43 3.1.4 Drawing Essential Criteria Conclusions 46 3.2 Prior PHA Quality and Completeness 48 3.2.1 Application of Analysis Method(s) 49 3.2.2 Level of Detail and Accuracy of the Core Analysis 50 3.2.3 Logic Errors and Inconsistencies in the Analysis 56 3.2.4 Failure to Document Hazards 58 3.2.5 Improper Application of Risk Tolerance 59 3.2.6 Drawing Quality and Completeness Conclusions 60 3.3 Prior PHA Topics for Additional Evaluation 61 3.3.1 Status of Prior PHA Recommendations 61 3.3.2 Complementary Analyses and Supplemental Risk Assessments 62 3.3.3 Opportunity to Learn and Capture Information 62 3.3.4 Continuous Improvement 63 3.3.5 PHA Documentation Software Changes 63 3.3.6 Time Since the Previous Redo 63 3.4 Principles for Successful Prior PHA Evaluation 64 4 EVALUATING OPERATING EXPERIENCE SINCE THE PRIOR PHA 67 4.1 Operating Experience Influence on Revalidation 68 4.2 Types of Operating Experience That Should Be Considered 68 4.2.1 MOC and PSSR Records 69 4.2.2 Incident Reports 75 4.2.3 Routine Maintenance Records 77 4.2.4 Audit Results 78 4.2.5 Organizational Changes Not Addressed by MOCs 79 Contents vii 4.2.6 Metrics and Overall Performance 82 4.3 How Operating Experience Affects the Revalidation 83 4.4 Principles for Successful Operating Experience Evaluation 85 5 SELECTING AN APPROPRIATE PHA REVALIDATION APPROACH 89 5.1 Revalidation Approaches 90 5.1.1 Update 90 5.1.2 Redo 92 5.1.3 Combining Update and Redo in a Revalidation 94 5.2 Selecting the Revalidation Options 97 5.2.1 Have the Requirements Changed Significantly? 98 5.2.2 Is the Prior PHA Deficient or Unacceptable? 100 5.2.3 Are There Too Many Changes or Significant Revelations in Operating Experience? 101 5.3 Principles for Successful Revalidation Approach Selection 103 6 PREPARING FOR PHA REVALIDATION MEETINGS 105 6.1 Planning the Revalidation Meetings 106 6.1.1 Establishing the Revalidation Scope 106 6.1.2 Selecting Team Members 108 6.1.3 Estimating Schedule, Time, and Resources 110 6.2 Identifying and Collecting Information 113 6.2.1 Determining Information Requirements 113 6.2.2 Distributing Information 117 6.3 Reviewing and Preparing Information 117 6.3.1 Prior PHA Reports and Related Documentation 117 6.3.2 Prior PHA Recommendation Resolution Status 118 6.3.3 MOC and PSSR Records 120 6.3.4 Audit Results 126 6.3.5 Incident Reports 126 6.3.6 Current Piping and Instrument Diagrams 127 6.3.7 Current Operating Procedures 127 6.3.8 Special Considerations for Complementary Analyses and Supplemental Risk Assessments 128 6.4 Principles for Successful Revalidation Preparation 129 viii Guidelines for Revalidating a Process Hazard Analysis 7 CONDUCTING PHA REVALIDATION MEETINGS 131 7.1 Applying Analysis Methodologies 131 7.1.1 Revalidation of the Core Analysis 132 7.1.2 Revalidation of Complementary Analyses 134 7.1.3 Revalidation of Supplemental Risk Assessments 137 7.2 Facilitating Effective Revalidation Meetings 139 7.2.1 Team Composition 139 7.2.2 Meeting Kickoff 140 7.2.3 Meeting Productivity 143 7.3 Revalidation Meeting Conclusion 149 7.4 Principles for Successful Revalidation Meetings 151 8 DOCUMENTING AND FOLLOWING UP ON A PHA REVALIDATION 155 8.1 Documentation Approaches 156 8.2 Report and Its Contents 160 8.3 Recommendations and Follow-Up 161 8.4 Records Retention and Distribution 163 8.5 Principles for Successful Documentation and Follow-Up 165 REFERENCES 167 APPENDICES 171 APPENDIX A Essential Criteria Checklist 171 APPENDIX B PHA Quality and Completeness Checklist 175 APPENDIX C Example Change Summary Worksheet 181 APPENDIX D Checklist of Process, Facility, and Human Factors Changes 183 APPENDIX E Example Facility Siting Checklists 187 APPENDIX F Example Human Factors Checklists 199 APPENDIX G Example External Events Checklist 209 INDEX 215

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Book SynopsisThe 101st 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. Dihydropyrans by Cycloadditions of Oxadienes 1Arnaud Martel, Robert Dhal, Catherine Gaulon, Mathieu Yves Laurent, and Gilles Dujardin Cumulative Chapter Titles by Volume 933 Author Index, Volumes 1–101 953 Chapter and Topic Index, Volumes 1–101 961

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Book SynopsisA Course in Luminescence Measurements and Analyses for Radiation Dosimetry A complete approach to the three key techniques in luminescence dosimetry In A Course in Luminescence Measurements and Analyses for Radiation Dosimetry, expert researcher Stephen McKeever delivers a holistic and comprehensive exploration of the three main luminescence techniques used in radiation dosimetry: thermoluminescence, optically stimulated luminescence, and radiophotoluminescence. The author demonstrates how the three techniques are related to one another and how they compare to each other. Throughout, the author's focus is on pedagogy, including state-of-the-art research only where it is relevant to demonstrate a key principle or where it reveals a critical insight into physical mechanisms. The primary purpose of the book is to teach beginning researchers about the three aforementioned techniques, their similarities and distinctions, and their applications. A Course Table of ContentsPreface xiii Acknowledgments xvii Disclaimer xviii About the Companion Website xix Part I Theory, Models, and Simulations 1 1 Introduction 3 1.1 How Did We Get Here? 3 1.2 Introductory Concepts for TL, OSL, and RPL 7 1.2.1 Equilibrium and Metastable States 7 1.2.2 Fermi-Dirac Statistics 8 1.2.3 Related Processes 10 1.3 Brief Overview of Modern Applications in Radiation Dosimetry 12 1.3.1 Personal Dosimetry 13 1.3.2 Medical Dosimetry 14 1.3.3 Space Dosimetry 15 1.3.4 Retrospective Dosimetry 16 1.3.5 Environmental Dosimetry 18 1.4 Bibliography of Luminescence Dosimetry Applications 18 2 Defects and Their Relation to Luminescence 19 2.1 Defects in Solids 19 2.1.1 Point Defects 19 2.1.2 Extended Defects 23 2.1.3 Non-Crystalline Materials 23 2.2 Trapping, Detrapping, and Recombination Processes 24 2.2.1 Excitation Probabilities 24 2.2.1.1 Thermal Excitation 24 2.2.1.2 Optical Excitation 28 2.2.2 Trapping and Recombination Processes 31 3 TL and OSL: Models and Kinetics 35 3.1 Rate Equations: OTOR Model 35 3.2 Analytical Solutions: TL Equations 38 3.2.1 First-Order Kinetics 38 3.2.2 Second-Order and General-Order Kinetics 41 3.2.3 Mixed-Order Kinetics 46 3.3 Analytical Solutions: OSL Equations 49 3.3.1 First-Order Kinetics 51 3.3.1.1 Expressions for CW-OSL 51 3.3.1.2 Expressions for LM-OSL 51 3.3.1.3 Expressions for POSL 52 3.3.1.4 Expressions for VE-OSL 54 3.3.2 Non-First-Order Kinetics 57 3.4 More Complex Models: Interactive Kinetics 57 3.4.1 Thermoluminescence 57 3.4.2 Optically Stimulated Luminescence 65 3.5 Trap Distributions 68 3.6 Quasi-Equilibrium (QE) 75 3.6.1 Numerical Solutions: No QE Assumption 75 3.6.2 P and Q Analysis 75 3.6.3 Analytical Solutions: No QE Assumption 78 3.7 Thermal and Optical Effects 81 3.7.1 Thermal Quenching 82 3.7.1.1 Mott-Seitz Model 82 3.7.1.2 Schön-Klasens Model 85 3.7.1.3 Tests for Thermal Quenching 87 3.7.2 Thermal Effects on OSL 89 3.7.2.1 Effects of Shallow Traps 89 3.7.2.2 Effects of Deep Traps: Thermally Transferred OSL (TT-OSL) 91 3.7.3 More Temperature Effects for TL and OSL 92 3.7.3.1 Phonon-coupling 93 3.7.3.2 Shallow Traps 93 3.7.3.3 Sub-Conduction Band Excitation 93 3.7.3.4 Random Local Potential Fluctuations (RLPF) 95 3.7.4 Optical Effects on TL 96 3.7.4.1 Bleaching 96 3.7.4.2 Phototransferred TL (PTTL) 101 3.8 Tunneling, Localized and Semi-Localized Transitions 104 3.8.1 Tunneling 106 3.8.1.1 General Considerations 106 3.8.1.2 Ground-State Tunneling 107 3.8.1.3 Excited-State Tunneling 110 3.8.1.4 Decay during Irradiation 113 3.8.1.5 Effect of Tunneling on TL and OSL 113 3.8.2 Localized and Semi-localized Transition Models 115 3.8.2.1 Localized Transition Model 115 3.8.2.2 Semi-Localized Transition Model 116 3.8.2.3 Semi-Localized Transitions and the TL Glow Curve 122 3.9 Master Equations 123 4 RPL: Models and Kinetics 125 4.1 Radiophotoluminescence and Its Differences with TL and OSL 125 4.2 Background Considerations 125 4.3 Buildup Kinetics 128 4.3.1 Electronic Processes 128 4.3.2 Ionic Processes 130 4.3.3 More on Buildup Processes 134 4.3.3.1 After Irradiation 134 4.3.3.2 During Irradiation 135 4.3.3.3 Temperature Dependence 135 5 Analysis of TL and OSL Curves 139 5.1 Analysis of TL Glow Curves 139 5.2 Analytical Methods for TL 140 5.2.1 Partial-Peak Methods 140 5.2.1.1 A Single TL Peak with a Discrete Value for E t 140 5.2.1.2 Multiple Overlapping Peaks, and Trap Energy Distributions143 5.2.2 Whole-Peak Methods 150 5.2.3 Peak-Shape Methods 153 5.2.4 Peak-Position Methods 155 5.2.5 Peak-Fitting Methods 159 5.2.5.1 Principles 159 5.2.5.2 Peak Resolution 162 5.2.5.3 CGCD Using More-Than-One Heating Rate 163 5.2.5.4 Continuous Trap Distributions 166 5.2.6 Calculation of s169 5.2.7 Potential Distortions to TL Glow Curves 169 5.2.7.1 Thermal Contact 170 5.2.7.2 Thermal Quenching 171 5.2.7.3 Emission Spectra 171 5.2.7.4 Self-Absorption 175 5.2.8 Summary of Steps to Take using TL Curve Fitting 176 5.2.9 Isothermal Analysis 177 5.3 Analytical Methods for OSL 180 5.3.1 Curve-Shape Methods 180 5.3.1.1 Cw-osl 180 5.3.1.2 Lm-osl 181 5.3.2 Variable Stimulation Rate Methods: LM-OSL 181 5.3.3 Curve-Fitting Methods 184 5.3.3.1 The Curve Overlap Problem 184 5.3.3.2 Simultaneous Fitting of LM-OSL Peaks Generated by Varying the Stimulation Rate 186 5.3.4 How Can the Number of Traps Contributing to OSL Be Determined? 187 5.3.4.1 t max -t stop Analysis 187 5.3.4.2 Comparison with TL 188 5.3.5 Variation with Stimulation Wavelength 188 5.3.6 Trap Distributions 189 5.3.7 Emission Wavelength 192 5.3.8 Summary of Steps to Take using OSL Curve Fitting 193 5.3.9 OSL due to Optically Assisted Tunneling 193 5.3.10 Ve-osl 195 6 Dependence on Dose 197 6.1 TL, OSL, or RPL versus Dose 197 6.2 Dependence on Dose 197 6.2.1 OTOR Model 197 6.2.1.1 Dose-Response Relationships: Linear, Supralinear, Superlinear, and Sublinear 199 6.2.2 Interactive Models: Competition effects 203 6.2.2.1 Competition during Irradiation 203 6.2.2.2 Competition during Trap Emptying 204 6.2.3 Spatial Effects 208 6.2.4 Sensitivity and Sensitization 212 6.2.5 High Dose Effects 213 6.2.5.1 Loss of Sensitivity 213 6.2.5.2 TL and OSL Changes in Shape 215 6.2.6 Charged Particles, Tracks, and Track Interaction 216 6.2.6.1 Dose and Fluence Dependence: Low Fluence 218 6.2.6.2 High Fluence: Track Interaction 220 6.2.7 Rpl 225 6.2.7.1 Buildup during Irradiation: A Special Kind of Supralinearity 225 6.2.7.2 Buildup after Irradiation: Linear Response to Dose 227 Part II Experimental Examples: Luminescence Dosimetry Materials 229 7 Thermoluminescence 231 7.1 Introduction 231 7.2 Lithium Fluoride 232 7.2.1 LiF:Mg,Ti 232 7.2.1.1 Structure and Defects 232 7.2.1.2 TL Glow Curves 233 7.2.1.3 TL Emission Spectra 238 7.2.1.4 TL Glow-Curve Analysis 239 7.2.1.5 Changes to the Glow-Curve Shape with Dose and Ionization Density 241 7.2.1.6 Competition 248 7.2.1.7 Photon Dose-Response Characteristics 250 7.2.1.8 Charged-Particle Dose-Response Characteristics 252 7.2.2 LiF:MCP 254 7.2.2.1 Structure and Defects 254 7.2.2.2 TL Glow Curves 255 7.2.2.3 TL Emission Spectra 256 7.2.2.4 TL Glow-Curve Analysis 258 7.2.2.5 Changes to the Glow-Curve Shape with Dose and Ionization Density 259 7.2.2.6 Photon Dose-Response Characteristics 261 7.2.2.7 Charged-Particle Dose-Response Characteristics 262 7.2.3 Approximately Right; Precisely Wrong 263 8 Optically Stimulated Luminescence 267 8.1 Introduction 267 8.2 Aluminum Oxide 268 8.2.1 Al2O3 :C 268 8.2.1.1 Structure and Defects 268 8.2.1.2 OSL Curves 269 8.2.1.3 Emission and Excitation Spectra 270 8.2.1.4 Temperature Dependence 277 8.2.1.5 Photon Dose-Response Characteristics 277 8.2.1.6 Charged-Particle Dose-Response Characteristics 280 8.2.2 A Final Observation 285 9 Radiophotoluminescence 287 9.1 Introduction 287 9.2 Phosphate Glass 287 9.2.1 Ag-doped Phosphate Glass 287 9.2.1.1 Formulation, Growth, and RPL Centers 287 9.2.1.2 Emission and Excitation Spectra: RPL Decay Curves and Signal Measurement 290 9.2.1.3 Buildup Curves: Temperature Dependence; UV Reversal 294 9.2.1.4 Photon Dose-Response Characteristics 298 9.2.1.5 Charged-Particle Dose-Response Characteristics 302 9.2.2 Final Remarks Concerning RPL from Ag-doped Phosphate Glass 305 9.3 Fluorescent Nuclear Track Detectors 305 9.3.1 Al2O3 :C,Mg 305 9.3.1.1 Introduction 305 9.3.1.2 RPL in Al2O3 :C,Mg 305 9.3.1.3 FNTD Imaging of Charged-Particle Tracks 307 9.3.1.4 FNTD for Neutron Detection 310 9.3.2 LiF 312 9.3.2.1 RPL in LiF 312 9.3.2.2 Fntd 313 9.3.3 Alkali Phosphate Glass 315 9.3.3.1 Fntd 315 10 Some Examples of More Complex TL, OSL, and RPL Phenomena: The Aluminosilicates 317 10.1 Introduction 317 10.2 Feldspar 318 10.2.1 Structure and Defects 318 10.2.2 Energy Levels and Density of States 319 10.2.3 Emission Spectra 321 10.2.4 OSL Phenomena 321 10.2.4.1 Band Diagram 321 10.2.4.2 OSL Excitation Spectra 322 10.2.4.3 OSL Curve Description 324 10.2.5 TL Phenomena 330 10.2.5.1 Glow-Curve Description 330 10.2.5.2 TL Analysis 332 10.2.6 RPL Phenomena 335 10.2.6.1 RPL Emission and Excitation Spectra 335 10.2.6.2 RPL Temperature Dependence 336 10.2.7 What Can Be Concluded? 337 10.3 Aluminosilicate Glass 338 10.3.1 Structure and Composition 339 10.3.2 OSL Phenomena 340 10.3.2.1 OSL Curve Description 340 10.3.2.2 OSL Excitation Spectrum 342 10.3.2.3 OSL Fading 344 10.3.2.4 Potential Uses in Radiation Dosimetry 345 10.3.3 TL Phenomena 346 10.3.3.1 Glow-Curve Description 346 10.3.3.2 TL Emission Spectrum 349 10.3.3.3 TL Analysis 349 10.3.3.4 TL Fading 351 10.3.3.5 Potential Uses in Radiation Dosimetry 352 10.4 Final Remarks 352 11 Concluding Remarks: The Possibilities for Imperfection Engineering 355 11.1 The Importance of Defects 355 11.1.1 The Ideal Luminescence Dosimeter 355 11.1.2 How to Detect Defect Clustering and Tunneling 358 11.1.2.1 E t and s Analysis 358 11.1.2.2 TL and OSL Curve Shapes 358 11.1.2.3 Fading 359 11.1.2.4 Spectral Measurements 359 11.2 The Prospects for “Designer” TLDs, OSLDs, and RPLDs 360 References 361 Index 381

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Book SynopsisPRINCIPLES OF INORGANIC CHEMISTRY Discover the foundational principles of inorganic chemistry with this intuitively organized new edition of a celebrated textbook In the newly revised Second Edition of Principles of Inorganic Chemistry, experienced researcher and chemist Dr. Brian W. Pfennig delivers an accessible and engaging exploration of inorganic chemistry perfect for sophomore-level students. This redesigned book retains all of the rigor of the first edition but reorganizes it to assist readers with learning and retention. In-depth boxed sections include original mathematical derivations for more advanced students, while topics like atomic and molecular term symbols, symmetry coordinates in vibrational spectroscopy, polyatomic MO theory, band theory, and Tanabe-Sugano diagrams are all covered. Readers will find many worked examples throughout the text, as well as numerous unanswered problems at varying levels of difficulty. Informative, colorfTable of ContentsPreface to the Second Edition xv Acknowledgments xvii About the Companion Website xix Chapter 1The Structure of Matter 1 1.1 Science as an Art Form 1 1.2 Atomism 5 1.3 The Anatomy of an Atom 8 1.4 The Periodic Table of the Elements 14 1.5 The Nucleus 17 1.6 Nuclear Reactions 20 1.7 Radioactive Decay and the Band of Stability 23 1.8 The Shell Model of the Nucleus 29 1.9 The Origin of the Elements 32 1.9.1 The Big Bang 32 1.9.2 Big Bang Nucleosynthesis 32 1.9.3 Stellar Nucleosynthesis 33 1.9.4 The s-Process and the r-Process 37 Exercises 39 Bibliography 41 Chapter 2The Structure of the Atom 43 2.1 The Wave-Like Properties of Light 43 2.2 The Electromagnetic Spectrum 44 2.3 The Interference of Waves 45 2.4 The Line Spectrum of Hydrogen 48 2.5 Energy Levels in Atoms 51 2.6 The Bohr Model of the Atom 54 2.6.1 In-Depth: Derivation of the Bohr Model of the Atom 56 2.7 The Wave-Like Properties of Matter 60 2.8 Circular Standing Waves and the Quantization of Angular Momentum 62 2.9 The Classical Wave Equation 64 2.10 The Particle in a Box Model 65 2.10.1 In-Depth: The Quantum Mechanical Behavior of Nanoparticles 67 2.11 The Heisenberg Uncertainty Principle 68 2.12 The Schrödinger Equation 70 2.13 The Hydrogen Atom 74 2.13.1 The Radial Wave Functions 76 2.13.2 The Angular Wave Functions 79 2.14 The Spin Quantum Number 83 2.15 The Topological Atom 85 2.15.1 In-Depth: Atomic Units 87 Exercises 88 Bibliography 90 Chapter 3The Periodicity of the Elements 91 3.1 Introduction 91 3.2 Hydrogenic Orbitals in Polyelectronic Atoms 92 3.2.1 In-Depth: The Helium Atom 94 3.3 The Quantum Structure of the Periodic Table 95 3.4 Electron Configurations 98 3.5 Shielding and Effective Nuclear Charges 102 3.6 Ionization Energy 104 3.7 Electron Affinity 109 3.8 Theoretical Radii 111 3.8.1 In-Depth: How the Radius Affects Other Properties 114 3.9 Polarizability 116 3.10 The Metal–Nonmetal Staircase 118 3.11 Global Hardness 120 3.12 Electronegativity 121 3.13 The Uniqueness Principle 124 3.14 Diagonal Properties 125 3.15 Relativistic Effects 126 3.16 The Inert-Pair Effect 128 Exercises 129 Bibliography 131 Chapter 4 An Introduction to Chemical Bonding 133 4.1 The Definition of a Chemical Bond 133 4.2 The Thermodynamic Driving Force for Bond Formation 134 4.3 Lewis Structures and Formal Charges 138 4.3.1 Rules for Drawing Lewis Structures 140 4.4 Covalent Bond Lengths and Bond Dissociation Energies 143 4.5 Resonance 144 4.6 Electronegativity and Polar Covalent Bonding 147 4.7 Types of Chemical Bonds—The Triangle of Bonding 148 4.8 Atoms in Molecules 153 Exercises 159 Bibliography 160 Chapter 5 Molecular Geometry 163 5.1 X-Ray Crystallography and the Determination of Molecular Geometry 163 5.2 Linnett’S Double Quartet Theory 165 5.3 Valence-Shell Electron Pair Repulsion Theory 170 5.3.1 Rules for Determining the Geometry of a Molecule Using VSEPD Theory 171 5.4 The Ligand Close-Packing Model 183 5.5 A Comparison of the VSEPR and LCP Models 187 Exercises 188 Bibliography 190 Chapter 6 Symmetry and Spectroscopy 191 6.1 Symmetry Elements and Symmetry Operations 191 6.1.1 Identity, E 193 6.1.2 Proper Rotation, Cn 193 6.1.3 Reflection, σ 195 6.1.4 Inversion, i 196 6.1.5 Improper Rotation, Sn 196 6.2 Symmetry Groups 199 6.3 Molecular Point Groups 203 6.3.1 In-Depth: Dipole Moments 208 6.4 Representations of Symmetry Operations 210 6.5 Character Tables 217 6.5.1 Irreducible Representations and Characters 217 6.5.2 Degenerate Representations 218 6.5.3 Rules Regarding Irreducible Representations 219 6.5.4 Conjugate Matrices and Classes 220 6.5.5 Mulliken Symbols 222 6.6 Direct Products 224 6.7 Reducible Representations and the Great Orthogonality Theorem 229 6.8 Molecular Spectroscopy and the Selection Rules 234 6.8.1 Infrared Spectroscopy 236 6.8.2 Raman Spectroscopy 240 6.8.3 A Summary of the Selection Rules for Vibrational Spectroscopy 241 6.8.4 In-Depth: Resonance Raman Spectroscopy 241 6.9 Determining the Symmetries of the Normal Modes of Vibration 243 6.10 Determining a Molecule’s Likely Geometry from Its Spectroscopy 249 6.11 Generating Symmetry Coordinates Using the Projection Operator Method 252 Exercises 263 Bibliography 269 Chapter 7 Structure and Bonding in Molecules 271 7.1 Molecules as Unique Entities 271 7.2 Valence Bond Theory 272 7.2.1 Diatomic Molecules 272 7.2.2 In-Depth: A Mathematical Treatment of VBT 273 7.2.3 Polyatomic Atoms and Hybridization 275 7.2.4 Variable Hybridization 281 7.2.5 Bent’s Rule 283 7.2.6 Hypervalent Molecules 286 7.2.7 Sigma and pi Bonding 288 7.2.8 Transition Metal Compounds 289 7.2.9 Limitations of Valence Bond Theory 293 7.3 Molecular Orbital Theory 293 7.3.1 Homonuclear Diatomics 293 7.3.2 In-Depth: A Mathematical Treatment of MOT 294 7.3.3 Mixing 302 7.3.4 Heteronuclear Diatomics 307 7.3.5 The Covalent to Ionic Transition in MOT 310 7.3.6 Polyatomic Molecules: H3− and H3+ 312 7.3.7 Correlation Diagrams and the Prediction of Molecular Geometry 316 7.3.8 A Brief Introduction to the Jahn–Teller Effect 318 7.3.9 AHn Molecules and Walsh Diagrams 320 7.3.10 In-Depth: Pearson’s Symmetry Rules for Predicting the Structures of AHn Molecules 332 7.3.11 Polyatomic Molecules Having pi Orbitals 334 7.3.12 In-Depth: Pearson’s Symmetry Rules for Predicting the Structures of AXn Molecules 340 7.3.13 pi Molecular Orbitals and Hückel Theory 342 7.3.14 Combining VB Concepts into MO Diagrams 346 7.3.15 Hypercoordinated Molecules 349 7.3.16 MO Diagrams for Transition Metal Compounds 352 7.3.17 Metal–Metal Bonding 356 7.3.18 Three-Centered, Two-Electron Bonding in Diborane 358 7.4 The Complementarity of VBT and MOT 363 Exercises 365 Bibliography 367 Chapter 8 Structure and Bonding in Solids 369 8.1 Crystal Structures 369 8.1.1 The 14 Bravais Lattices 373 8.1.2 Closest-Packed Structures 377 8.1.3 The 32 Crystallographic Point Groups and 230 Space Groups 381 8.1.4 The Determination of Crystal Structures 386 8.1.5 The Bragg Diffraction Law 386 8.1.6 Miller Planes and Indexing Powder Patterns 387 8.1.7 In-Depth: Quasicrystals 392 8.2 Metallic Bonding 393 8.2.1 The Free Electron Model of Metallic Bonding 395 8.2.2 Band Theory of Solids 399 8.2.3 Conductivity in Solids 407 8.2.4 In-Depth: the p–n Junction and n–p–n Bipolar Junction Transistor 418 8.3 Ionic Bonding 421 8.3.1 In-Depth: High-Temperature Superconductors 429 8.3.2 Lattice Enthalpies and the Born–Haber Cycle 430 8.3.3 Ionic Radii and Pauling’s Rules 436 8.3.4 In-Depth: the Silicates 449 8.3.5 Defects in Crystals 450 8.4 Types of Crystalline Solids 453 8.4.1 Intermediate Types of Bonding in Solids 457 Exercises 465 Bibliography 475 Chapter 9 Chemical Structure and Reactivity 477 9.1 Acid–Base Chemistry 478 9.1.1 Definitions of Acids and Bases 478 9.1.2 Measuring the Strengths of Acids and Bases 485 9.1.3 Factors Affecting the Strengths of Acids and Bases 489 9.1.4 Pearson’s Hard–Soft Acid–Base Theory 495 9.1.5 The Relationship Between HSAB Theory and FMO Theory 497 9.2 Redox Chemistry 499 9.2.1 The Relationship Between Acid–Base and Redox Chemistry 499 9.2.2 Rationalizing Trends in Standard Reduction Potentials 500 9.2.3 Quantum Structure Property Relationships 505 9.2.4 The Drago–Wayland Parameters 507 9.3 A Generalized View of Chemical Reactivity 509 Exercises 515 Bibliography 519 Chapter 10 Coordination Chemistry 521 10.1 An Overview of Coordination Chemistry 522 10.1.1 The Historical Development of Coordination Chemistry 523 10.1.2 Types of Ligands and Proper Nomenclature 525 10.1.3 Stability Constants 527 10.1.4 Isomers 531 10.1.5 Common Coordination Geometries 534 10.1.6 In-Depth: Five-Coordinate Compounds 537 10.1.7 The Shapes of the d-Orbitals 540 10.2 Models of Bonding in Coordination Compounds 541 10.2.1 Crystal Field Theory 541 10.2.2 Ligand Field Theory 555 10.2.3 Quantitative Measures of LF Strength 562 10.3 Electronic Spectroscopy of Coordination Compounds 572 10.3.1 Term Symbols 572 10.3.2 Tanabe–Sugano Diagrams 578 10.3.3 Electronic Absorptions and the Selection Rules 584 10.3.4 Using Tanabe–Sugano Diagrams to Interpret or Predict Electronic Spectra 587 10.3.5 The Effect of Reduced Symmetry on Electronic Transitions 593 10.3.6 The Jahn–Teller Effect 594 10.3.7 Charge Transfer Transitions 596 10.3.8 Magnetic Properties of Coordination Compounds 598 10.3.9 Diamagnetism 601 10.3.10 Paramagnetism 602 10.3.11 Antiferromagnetism 602 10.3.12 Ferromagnetism 603 10.3.13 Ferrimagnetism 604 Exercises 605 Bibliography 610 Chapter 11 Reactions of Coordination Compounds 613 11.1 An Introduction to Kinetics and Reaction Coordinate Diagrams 613 11.1.1 Zero-Order Reactions 614 11.1.2 First-Order Reactions (Irreversible) 615 11.1.3 First-Order Reactions (Reversible and Coming to Equilibrium) 616 11.1.4 Simple Second-Order Reactions (Irreversible) 617 11.1.5 Complex Second-Order Reactions (Reversible and Coming to Equilibrium) 617 11.1.6 Complex Second-Order Reactions (Irreversible) 618 11.1.7 Pseudo First-Order Reactions 618 11.1.8 Consecutive First-Order Reactions and the Steady-State Approximation 619 11.1.9 Competing Mechanisms 619 11.1.10 Summary of the Common Rate Laws 620 11.1.11The Arrhenius Equation 620 11.1.12 Activation Parameters 621 11.2 Octahedral Substitution Reactions 623 11.2.1 Associative (A) Mechanisms 624 11.2.2 Interchange (I) Mechanisms 624 11.2.3 Dissociative (D) Mechanisms 625 11.2.4 Acid and Base Catalysis 628 11.2.5 Ligand Field Activation Energies 629 11.3 Square Planar Substitution Reactions 631 11.3.1 The Trans Effect 635 11.3.2 The Effects of the Leaving Group and the Nucleophile 637 11.3.3 MOT and Square Planar Substitution 638 11.4 Electron Transfer Reactions 640 11.4.1 Outer-Sphere Electron Transfer 641 11.4.2 The Franck–Condon Principle 641 11.4.3 Marcus Theory 645 11.4.4 Inner-Sphere Electron Transfer 648 11.4.5 Mixed-Valence Compounds 652 Exercises 655 Bibliography 657 Chapter 12 Organometallic Chemistry 659 12.1 Introduction to Organometallic Chemistry 659 12.2 Electron Counting and the 18-Electron Rule 660 12.3 Carbonyl Ligands 663 12.4 Nitrosyl Ligands 668 12.5 Hydride and Dihydrogen Ligands 670 12.6 Phosphine Ligands 672 12.7 Ethylene and Related Ligands 674 12.8 Cyclopentadiene and Related Ligands 678 12.9 Carbenes, Carbynes, and Carbidos 682 Exercises 684 Bibliography 687 Chapter 13 Reactions of Organometallic Compounds 689 13.1 Some General Principles 689 13.2 Organometallic Reactions Involving Changes at the Metal 690 13.2.1 Ligand Substitution Reactions 690 13.2.2 Oxidative Addition and Reductive Elimination 692 13.3 Organometallic Reactions Involving Changes at the Ligand 705 13.3.1 Insertion and Elimination Reactions 705 13.3.2 Nucleophilic Attack on the Ligands 709 13.3.3 Electrophilic Attack on the Ligands 710 13.4 Metathesis Reactions 711 13.4.1 π-Bond Metathesis 711 13.4.2 Ziegler–Natta Polymerization of Alkenes 712 13.4.3 σ-Bond Metathesis 713 13.5 A Summary of Organometallic Reaction Mechanisms 714 13.6 Organometallic Catalytic Cycles 714 13.6.1 Catalytic Hydrogenation 716 13.6.2 Hydroformylation 717 13.6.3 The Wacker–Smidt Process 719 13.6.4 The Monsanto Acetic Acid Process 720 13.6.5 Palladium-Catalyzed Cross-Coupling Mechanisms 721 13.7 The Isolobal Analogy and the Relationship to Main Group Chemistry 725 13.8 Closing Remarks 728 Exercises 729 Bibliography 732 Appendix: A Derivation of the Classical Wave Equation 733 Bibliography 734 Appendix: B Derivation of the Schrödinger Equation 735 Appendix: C Postulates of Quantum Mechanics 739 Bibliography 741 Appendix: D Atomic Term Symbols and Spin–Orbit Coupling 743 Extracting Term Symbols Using Russell–Saunders Coupling 744 Extracting Term Symbols Using jj Coupling 747 Correlation Between RS (LS) Coupling and jj Coupling 749 Appendix: E Character Tables 751 Bibliography 763 Appendix: F Direct Product Tables 765 Bibliography 769 Appendix: G Reducing Representations by the Process of Diagonalization 771 Appendix: H Correlation Tables 775 Bibliography 781 Appendix: I The Harmonic Oscillator Model 783 Bibliography 786 Appendix: J Molecular Term Symbols 787 Bibliography 789 Appendix: K The 230 Space Groups 791 Bibliography 795 Index 797

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Book SynopsisThe expanded seventh edition, complete with new materials and updated information on existing materials for chemical protective clothing The revised and updated seventh edition of Quick Selection Guide to Chemical Protective Clothing contains the most recent information on the selection, use, and care of chemical protective clothing, such as protective gloves, suits, and other garments. The seventh edition includes new selection recommendations, new materials and chemicals tested, and updated information on existing products. This accessible guide also contains the popular color-coded selection grid. The grid system indicates which materials offer protection against specific chemicals, and which do not. Selecting the most appropriate chemical protective clothing is essential for the prevention of illnesses and injures from hazardous chemical exposure, especially where other control measures are not feasible. Written by noted experts on the topic, thTable of ContentsImportant Instructions and Limitations vii Preface ix Section I Introduction to the Quick Selection Process 1 How to Use This Guide 1 Section II Selection and Use of Chemical Protective Clothing 5 Chemical Resistance of Protective Clothing: What Does It Mean and How to Evaluate It 5 Standards and Requirements Related to CPCs 10 The Selection Process 16 Correct Use, Care, Maintenance, and Disposal of CPCs 25 Checklist for Selection, Use, Care and Maintenance, and Disposal of Chemical Protective Clothing 29 Section III Chemical Index 31 Chemical Class Numbers 31 Chemical Names 32 Synonyms 32 Chemical Abstract Service Number: CAS # 32 Risk Codes 33 Chemical Warfare Agents 35 Section IV Selection Recommendations 107 Color Codes Used in the Tables 107 Introduction to the Trade Name Table 109 Barriers Related to the Master Chemical Resistance Table 122 Master Chemical Resistance Table 126 Section V Glossary 267 Section VI Standards for Chemical Protective Clothing 283 Section VII Manufacturers of Chemical Protective Clothing 291 Introduction 291

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Book SynopsisThe most comprehensive and up-to-date volume on environmental chemistry available today, this is the standard reference for any chemical or environmental engineer. This book is a very comprehensive project designed to provide complete information about environmental chemistry, including air, water, soil and all life forms on earth. The complete chemical composition and all the essential components of the atmosphere, hydrosphere, geosphere, lithosphere and biosphere are discussed in detail. Numerous forms of pollutants and their toxic effects along with sustainable solutions are provided. Not just covering the basics of environmental chemistry, the authors discuss many specific areas and issues, and they provide practical solutions. The problems of non-renewable energy processes and the merits of renewable energy processes along with future fuels are discussed in detail, making this volume a comprehensive collaboration of many other relevant fields which tries toTable of ContentsAcknowledgments xxiii 1 Introduction to Environmental Chemistry 1 1.1 Beginning of the Universe 1 1.2 Plank’s Time 2 1.3 Components of Solar System 3 1.4 Electromagnetic Spectrum and Solar Radiations 5 1.4.1 Types of Electromagnetic Radiations 5 1.4.1.1 Cosmic Rays 5 1.4.1.2 Gamma Rays 6 1.4.1.3 X-Rays 6 1.4.1.4 Ultra-Violet Region 6 1.4.1.5 Visible Region 7 1.4.1.6 Infra-Red Region 7 1.4.1.7 Terahertz Region 7 1.4.1.8 Microwave Region 8 1.4.1.9 Radiowave Region 8 1.5 Evolution of Environmental Segments 8 1.5.1 Evolution of Atmosphere 8 1.5.1.1 First Stage of Atmospheric Evolution 9 1.5.1.2 Second Stage of Atmospheric Evolution 9 1.5.1.3 Third Stage of Atmospheric Evolution 9 1.5.2 Evolution of Hydrosphere 10 1.5.3 Evolution of Lithosphere/Geosphere 10 1.5.4 Evolution of Biosphere 11 1.6 Environmental Segments 11 1.7 Scope of Environmental Chemistry in Modern World 12 1.7.1 Pollution 12 1.7.2 Climate Change 12 1.7.3 Global Warming 12 1.7.4 Deforestation 13 1.7.5 Overpopulation 13 1.7.6 Industrial and Household Waste 13 1.7.7 Acid Rain 13 1.7.8 Ozone Layer Depletion 14 1.7.9 Genetic Engineering 14 1.7.10 Urban Sprawl 14 1.8 Solutions of Environmental Problems 14 1.8.1 Green Chemistry 15 1.8.2 Renewable Energy Processes 15 1.8.3 Biofuels 15 1.8.4 Role of Biotechnology 16 2 Atmosphere 17 2.1 Introduction to Atmosphere 17 2.1.1 Layers of Atmosphere 18 2.1.1.1 Troposphere 18 2.1.1.2 Stratosphere 19 2.1.1.3 Mesosphere 20 2.1.1.4 Thermosphere 20 2.1.1.5 Exosphere 21 2.1.2 Importance of Atmosphere 21 2.1.3 Components of Atmosphere 22 2.1.3.1 Primary Gases 23 2.1.3.2 Greenhouse Gases (GHGs) 23 2.1.3.3 Reactive Gases 24 2.1.3.4 Aerosols 28 2.1.3.5 Deviations with Height 28 2.1.3.6 Deviations with Latitude and Season 29 2.1.3.7 Deviations with Time 30 2.2 Solar Radiations and Energy Budget 32 2.2.1 Total Radiations of Sun 32 2.2.1.1 Solar Output 32 2.2.1.2 Distance from Sun 34 2.2.1.3 Altitude of Sun 35 2.2.1.4 Day Length 35 2.2.2 Effects of Solar Radiations 35 2.2.2.1 Transference of Energy 35 2.2.2.2 Effect of Atmosphere 36 2.2.2.3 Effect of Cloud Cover 37 2.2.2.4 Effect of Latitude 37 2.2.2.5 Effect of Land and Sea 38 2.2.2.6 Effect of Elevation 40 2.2.2.7 Temperature Variations with Height 40 2.2.3 IR Radiations and Greenhouse Effects 41 2.2.4 Earth’s Heat Budget 43 2.3 Atmospheric Moisture Budget 44 2.3.1 Condensation 44 2.3.2 Precipitation 44 2.3.2.1 Forms of Precipitation 45 2.3.2.2 Characteristics of Precipitation 46 2.3.2.3 Pattern of Precipitation 46 2.4 Variability of Atmosphere 47 2.4.1 Cloud Formation 47 2.4.1.1 Condensation Nuclei 47 2.4.1.2 Types of Clouds 48 2.4.1.3 Cloud Cover 54 2.4.2 Precipitation Formation 54 2.5 Reactions in Atmosphere 55 2.5.1 Photochemical Reactions 56 2.5.2 Biochemical Reactions 61 2.5.3 Acid Base Reactions 62 2.5.4 Reactions of Oxygen 63 2.5.5 Reactions of Nitrogen 66 2.5.6 Reactions of Carbon Dioxide 68 3 Air Pollution and Control Strategies 71 3.1 Introduction to Air Pollution 71 3.1.1 Particles in Atmosphere 72 3.1.2 Inorganic Air Pollutants 73 3.1.2.1 Composition of Particles 74 3.1.2.2 Fly Ash 75 3.1.2.3 Asbestos 76 3.1.2.4 Toxic Heavy Metals 77 3.1.2.5 Radioactive Particles 79 3.1.2.6 Effects of Particles 80 3.1.2.7 Water as Particulate Matter 80 3.1.3 Oxides of Carbon 81 3.1.3.1 Sources of Carbon Monoxide 81 3.1.3.2 Fate of Carbon Monoxide 82 3.1.3.3 Effects of Carbon Monoxide 82 3.1.3.4 Controlled Emissions of Carbon Monoxide 83 3.1.3.5 Sources of Carbon Dioxide 83 3.1.3.6 Natural Carbon Cycle 85 3.1.3.7 Chemical Reactions of Carbon Dioxide 85 3.1.3.8 Ozone Depletion and Greenhouse Effect 86 3.1.3.9 Impacts on Plant Growth 87 3.1.3.10 Impacts on Human Health 89 3.1.3.11 Impacts on Animals 90 3.1.3.12 Controlled Emissions of Carbon Dioxide 91 3.1.4 Oxides of Sulphur 91 3.1.4.1 Reactions of Sulphur Dioxide 92 3.1.4.2 Effects of Sulphur Dioxide on Ecosystem, Animals and Plants 94 3.1.4.3 Removal of Sulphur Dioxide 96 3.1.5 Oxides of Nitrogen 99 3.1.5.1 Reactions of Oxides of Nitrogen 101 3.1.5.2 Effects of Oxides of Nitrogen on Ecosystem, Humans and Animals 103 3.1.5.3 Removal of Oxides of Nitrogen 105 3.1.6 Acid Rain 106 3.1.6.1 Emissions of Acidified Chemicals 108 3.1.6.2 Chemical Processes 109 3.1.6.3 Acid Deposition 109 3.1.6.4 Effects of Acid Rain 110 3.1.6.5 Preventive Measures 111 3.1.7 Atmospheric Ammonia 111 3.1.8 Fluorine, Chlorine and Hydrogen Chloride 112 3.1.9 Hydrogen Sulphide, Carbonyl Sulphide and Carbon Disulphide 113 3.1.10 Organic Air Pollutants 114 3.1.10.1 Natural and Anthropogenic Sources 114 3.1.10.2 Distillation and Fractionation of Persistent Organic Pollutants (POPs) 117 3.1.11 Reactions of Aryl Hydrocarbons 117 3.1.12 Nonhydrocarbon Organic Compounds 121 3.1.12.1 Carbonyl Compounds 121 3.1.12.2 Miscellaneous Oxygen Compounds 124 3.1.12.3 Organohalides 126 3.1.12.4 Organo Sulphur Compounds 130 3.1.12.5 Organo Nitrogen Compounds 131 3.1.13 Photochemical Smog 133 3.1.14 Indoor Air Pollutants 133 3.1.15 Outdoor Air Pollutants 134 3.2 Accidents and Episodes 134 3.2.1 Smog in London, England (1952) 135 3.2.2 Radionuclides Emissions, Three Mile Island, United States (1979) 135 3.2.3 Bhopal Disaster, India (1984) 135 3.2.4 Chernobyl Legacy, Ukraine (1986) 136 3.2.5 Smog of Punjab, Pakistan/India (2016) 136 3.3 Air Pollution Control Strategies 136 3.3.1 Control of Particulates 137 3.3.2 Control of Oxides of Nitrogen 138 3.3.3 Control of Sulphur Dioxide 138 3.3.4 Control of Mercury 138 4 Hydrosphere 141 4.1 Introduction to Hydrosphere 141 4.2 Importance of Hydrosphere 142 4.3 Unique Properties of Water 142 4.3.1 Water, Ice and Vapors 143 4.3.2 Chemical Properties of Water 145 4.3.3 Reactions of Water 146 4.4 Hydrologic Cycle 148 4.5 Characteristics of Water Bodies 149 4.6 Life in Water 150 4.7 Aquatic Chemistry 151 4.8 Gases in Water 153 4.9 Alkalinity 154 4.10 Calcium and Other Metals in Water 155 4.10.1 Hydrated Metals Ions as Acids 156 4.10.2 Contents of Calcium 157 4.11 Complexation and Chelation 157 4.12 Hydrolysis and Complexation of Polyphosphates in Water 160 4.13 Complexation by Humic Substances 162 4.14 Complexation and Redox Processes 164 4.15 Oxidation-Reduction 164 4.16 Chemical Interactions Involving Solids, Gases and Water 165 4.17 Formation of Sediments 165 4.18 Colloidal Particles in Water 167 4.18.1 Occurrence of Colloids 167 4.18.2 Types of Colloidal Particles 167 4.18.3 Colloidal Stability 168 4.19 Colloidal Properties of Clays 170 4.20 Microbial Biochemistry in Water 171 4.20.1 Aquatic Biochemical Processes 172 5 Water Pollution and Treatment Technologies 173 5.1 Water Pollution 173 5.1.1 Toxic Heavy Metals 175 5.1.1.1 Cadmium (Cd) 176 5.1.1.2 Lead (Pb) 176 5.1.1.3 Mercury (Hg) 177 5.1.1.4 Beryllium (Be) 178 5.1.2 Metalloids 178 5.1.2.1 Arsenic (As) 178 5.1.2.2 Boron (B) 180 5.1.3 Organometallic Compounds 181 5.1.3.1 Organolead Compounds 181 5.1.3.2 Organonickel Compounds 182 5.1.3.3 Organomercury Compounds 182 5.1.3.4 Organoarsenic Compounds 183 5.1.3.5 Organotin Compounds 183 5.1.3.6 Organozinc Compounds 184 5.1.4 Volatile Organic Compounds 185 5.1.5 Synthetic Organic Compounds 195 5.1.6 Inorganic Compounds 203 5.1.7 Pesticides 210 5.1.7.1 Insecticides 210 5.1.7.2 Herbicides 215 5.1.7.3 Fungicides 218 5.1.7.4 Nematicides 218 5.1.7.5 Rodenticides 219 5.1.8 Persistent Organic Pollutants 219 5.1.9 Eutrophication 225 5.1.10 Acidity, Alkalinity and Salinity 225 5.1.11 Oxygen, Oxidants and Reductants 226 5.1.12 Soaps, Detergents and Detergent Builders 227 5.1.13 Radionuclides in Aquatic Environment 229 5.2 Wastewater Treatment Technologies 230 5.2.1 Water Treatment and Water Use 231 5.2.2 Municipal Wastewater Treatment 231 5.2.3 Treatment of Water for Industrial Use 232 5.2.4 Sewage/Municipal Treatment 233 5.2.4.1 Primary Waste Treatment 233 5.2.4.2 Secondary Waste Treatment by Biological Processes 234 5.2.4.3 Tertiary Waste Treatment 236 5.2.4.4 Physical-Chemical Treatment of Municipal Wastewater 237 5.2.5 Industrial Wastewater Treatment 238 5.2.6 Removal of Solids 239 5.2.7 Removal of Calcium and Magnessium 240 5.2.8 Removal of Iron and Manganese 244 5.2.9 Removal of Dissolved Organics 245 5.2.10 Removal of Herbicides 247 5.2.11 Removal of Dissolved Inorganics 247 5.2.11.1 Electrodialysis 248 5.2.11.2 Ion Exchange 249 5.2.11.3 Reverse Osmosis 250 5.2.12 Removal of Phosphorous 250 5.2.13 Removal of Nitrogen 251 5.2.14 Sludge 252 5.2.15 Water Disinfection 254 5.2.15.1 Chlorine Dioxide 256 5.2.15.2 Ozone 256 5.2.16 Natural Water Purification Processes 257 5.2.17 Industrial Wastewater Treatment by Soil 258 5.2.18 Wastewater Characteristics of Pulp and Paper Mills 259 5.2.18.1 Water Pollution by Paper and Pulp Industry 259 5.2.18.2 Suspended Solids 260 5.2.18.3 Dissolved Solids Organic Matter 260 5.2.18.4 Inorganic Matter 260 5.2.18.5 Chlorine and Chlorine-Based Materials 261 5.2.18.6 Sulfur, Hydrogen Sulfide and Sulfur Dioxide 261 5.2.19 Wastewater Treatment Technologies 262 5.2.19.1 Biological Wastewater Treatment 262 5.2.19.2 Research and Development in Pollution Control 263 5.2.20 Water Reuse and Recycling 263 5.3 Drinking Water Quality Standards 264 5.3.1 Colour of Water 264 5.3.2 Microbial Standards for Drinking Water 264 5.3.3 Taste and Odour 265 5.3.4 Turbidity 265 5.3.5 The pH of Drinking Water 266 5.3.6 Aluminium (Al) 266 5.3.7 Antimony (Sb) 267 5.3.8 Arsenic (As) 267 5.3.9 Barium (Ba) 267 5.3.10 Boron (B) 267 5.3.11 Cadmium (Cd) 268 5.3.12 Chloride (Cl) 268 5.3.13 Chromium (Cr) 268 5.3.14 Copper (Cu) 268 5.3.15 Cyanide (CN) 269 5.3.16 Fluoride (F) 269 5.3.17 Iodine (I) 269 5.3.18 Lead (Pb) 269 5.3.19 Manganese (Mn) 270 5.3.20 Mercury (Hg) 270 5.3.21 Nickel (Ni) 270 5.3.22 Nitrate and Nitrite 271 5.3.23 Selenium (Se) 271 5.3.24 Total Dissolved Solids (TDS) 271 5.3.25 Zinc (Zn) 271 5.3.26 Radioactive Material 272 5.3.27 Polynuclear Aromatic Hydrocarbons (PAHs) 272 5.3.28 Pesticides, Herbicides and Fungicides 272 5.4 Future Plan for Improved Water Quality 273 6 Lithosphere/Geosphere 275 6.1 Introduction to Lithosphere/Geosphere 275 6.2 Composition of Rocks 276 6.3 Characteristics of Igneous Rocks 278 6.3.1 Types of Igneous Rocks 279 6.3.2 Igneous Rocks and Bowen Reaction Series 280 6.4 Characteristics of Sedimentary Rocks 281 6.5 Characteristics of Metamorphic Rocks 282 6.5.1 Heat and Metamorphism 282 6.5.2 Pressure and Metamorphism 283 6.5.3 Chemical Actions of Fluids 283 6.5.4 Types of Metamorphism 283 6.5.5 Common Metamorphic Rocks 284 6.6 Structure of Earth and Isostacy 284 6.7 Plate Tectonics 285 6.8 Earthquakes 286 6.8.1 Earthquake Waves 287 6.9 Volcanism 288 6.10 Weathering 289 6.10.1 Products of Weathering 289 6.10.2 Chemical Weathering 290 6.10.3 Physical Weathering 290 6.10.4 Biological Weathering 291 6.11 Landform of Weathering 292 6.11.1 Regiolith and Soil 292 6.11.2 Limestone Landforms 292 6.11.3 Periglacial Landforms 293 6.12 Introduction to Soil 293 6.12.1 Organic Activity 294 6.12.2 Translocation 294 6.12.3 Soil Texture 294 6.12.4 Soil pH 295 6.12.5 Soil Colour 295 6.12.6 Soil Profile 296 6.13 Interaction of Lithosphere with other Spheres 296 7 Soil Pollution and Remediation Processes 299 7.1 Introduction to Soil Pollution 299 7.2 Causes of Land Pollution 302 7.3 Soil Contaminants 303 7.3.1 Organic Pollutants 303 7.3.2 Inorganic Pollutants 303 7.3.3 Persistent Organic Pollutants (POPs) 303 7.3.4 Petroleum Hydrocarbons 335 7.3.5 Radionuclides 340 7.4 Effects of Soil Pollution 341 7.4.1 Endangering Human Health 341 7.4.2 Economic Losses 341 7.4.3 Air and Water Contamination 341 7.4.4 Effect on Plant Life 342 7.4.5 Acidification 342 7.4.6 Diminished Soil Fertility 342 7.4.7 Changes in Soil Structure 342 7.4.8 Increase in Soil Salinity 343 7.5 Ecotoxicology of Soil 343 7.5.1 Role of Microorganisms in Soil 343 7.5.2 Effects of POPs on Soil 344 7.5.3 Effects of Pesticides on Soil 344 7.6 Reclamation of Contaminated Land 344 7.6.1 Ex situ Methods 345 7.6.1.1 Destructive Methods 347 7.6.1.2 Thermal Methods 349 7.6.1.3 Biological Methods 357 7.6.1.4 Physiochemical Methods 366 7.6.2 In situ Methods 376 7.6.2.1 Physical Methods 376 7.6.2.2 Chemical Methods 379 7.6.2.3 Biological Methods 382 7.6.2.4 Thermal Methods 384 7.7 Solutions to Soil Pollution 391 7.7.1 Reduced Use of Pesticides 391 7.7.2 Organic Farming 392 7.7.3 Reduced Yield Pressure 392 7.7.4 Control Grazing and Forest Management 392 7.7.5 Wind Breaks and Wind Shield 395 7.7.6 Special Pits for Dumping Wastes 395 7.7.7 Soil Binding Greases 395 7.7.8 Afforestation and Reforestation 396 7.7.9 Recycling of Materials 397 7.7.10 Solid Waste Treatment 398 8 Biosphere 399 8.1 Introduction to Biosphere 399 8.2 Extent of Earth’s Biosphere 399 8.3 Components of Biosphere 400 8.4 Industrial Ecology 403 8.4.1 Industrial Ecosystem 404 8.4.2 Societal Factors and Environmental Ethics 404 8.5 Natural Cycles 405 8.5.1 Hydrologic Cycle 405 8.5.2 Carbon Cycle 406 8.5.3 Nitrogen Cycle 410 8.5.4 Sulphur Cycle 413 8.5.5 Phosphorous Cycle 415 8.5.6 Oxygen Cycle 415 8.5.7 Halogens and Organohalides 416 8.5.8 Iron Cycle 416 8.5.9 Selenium Cycle 419 8.6 Disturbances in Biosphere 419 8.7 Remote Sensing of Biosphere at NASA 424 9 Noise Pollution 427 9.1 What Is Noise Pollution? 427 9.2 Noise Sources 427 9.2.1 Typical Range of Noise Levels 427 9.2.2 Characteristics of Industrial Noise 429 9.2.2.1 Industrial Noise Sources 430 9.2.2.2 Mining and Construction Noise 431 9.2.3 Transportation Noise 432 xvi Contents 9.2.4 Urban Noise 432 9.2.5 Specific Noise Sources 434 9.3 Effects of Noise 434 9.3.1 Reactions to Noise 434 9.3.1.1 Auditory Effects 435 9.3.1.2 Permanent Threshold Shift (PTS) 435 9.3.1.3 Acoustic Trauma 436 9.3.2 Damage-Risk Criteria 436 9.3.3 Psychological Effects of Noise Pollution 436 9.3.3.1 Speech Interference 436 9.3.3.2 Annoyance 437 9.3.3.3 Sleep Interference 437 9.3.3.4 Effects on Performance 437 9.3.3.5 Acoustic Privacy 438 9.3.3.6 Subjective Responses 438 9.4 Noise Measurements 438 9.4.1 Instruments for Measuring Noise 439 9.4.2 Impacts and Impulse Magnitude 440 9.4.3 Monitoring Devices 440 9.4.4 Field Measurements 440 10 Toxicological Chemistry 443 10.1 Introduction to Toxicological Chemistry 443 10.2 Synergism, Potentiation and Antagonism 444 10.3 Dose Response Relationship 444 10.4 Relative Toxicities 444 10.5 Reversibility and Sensitivity 445 10.5.1 Hypersensitivity and Hyposensitivity 445 10.6 Xenobiotic and Endogenous Substances 445 10.7 Toxicological Chemistry 446 10.7.1 Toxicants in Body 446 10.8 Kinetic Phase and Dynamic Phase 446 10.8.1 Primary Reaction in Dynamic Phase 447 10.8.2 Biochemical Effects in Dynamic Phase 447 10.8.3 Response to Toxicants 447 10.8.4 Tetragenesis 448 10.8.5 Mutagenesis 448 10.8.6 Carcinogenesis 448 10.8.6.1 Biochemistry of Carcinogenesis 448 10.8.6.2 Alkylating Agents in Carcinogenesis 449 10.8.7 Testing for Carcinogens 449 10.8.8 Immune System Response 449 10.8.9 Estrogenic Substances 450 10.9 ATSDR Toxicological Profiles 450 10.10 Biotransformation of Xenobiotics 450 10.10.1 Basic Properties of Xenobiotic Bio-Transforming Enzymes 450 10.10.2 Biotransformation versus Metabolism 451 10.10.3 Stereochemical Aspects of Xenobiotic Biotransformation 451 10.10.4 Phase I and Phase II Biotransformation 452 10.10.5 Nomenclature of Xenobiotic Bio-Transforming Enzymes 452 10.10.6 Distribution of Xenobiotic Bio-Transforming Enzymes 452 10.10.7 Xenobiotic Biotransformation by Phase I Enzymes 452 10.10.7.1 Hydrolysis 453 10.10.7.2 Reduction 453 10.10.7.3 Oxidation 453 10.10.7.4 Activation of Xenobiotics by Cytochrome P450 454 10.10.7.5 P450 Knockout Mice 454 10.10.7.6 Inhibition of Cytochrome P450 454 10.10.7.7 Induction of Cytochrome P450 455 10.10.8 Phase II Enzyme Reactions 455 10.10.8.1 Glucuronidation 455 10.10.8.2 Sulfation 456 10.10.8.3 Methylation 456 10.10.8.4 Acetylation 456 10.10.8.5 Amino Acid Conjugation 457 10.10.8.6 Glutathione Conjugation 457 10.10.8.7 Rhodanese 457 10.10.8.8 Phosphorylation 458 10.11 Toxic Inorganic Compounds 458 10.11.1 Cyanide 458 10.11.2 Carbon Mono Oxide 459 10.11.3 Nitrogen Oxides 459 10.11.4 Hydrogen Halides 459 10.11.5 Asbestos 460 10.11.6 Inorganic Compounds of Silicon 460 10.11.7 Inorganic Phosphorous Compounds 461 10.11.8 Inorganic Compounds of Sulphur 461 10.11.9 Organo Metallic Compounds 462 10.11.9.1 Organo Lead Compounds 462 10.11.9.2 Organo Tin Compounds 462 10.12 Toxicology of Organic Compounds 463 10.12.1 Alkane Hydrocarbon 463 10.12.2 Alkene and Alkyne Hydrocarbons 463 10.12.3 Benzene and Aromatic Hydrocarbon 464 10.12.4 Oxygen Containing Organic Compounds 464 10.12.5 Organo Nitrogen Compounds 465 10.12.6 Organo Halide Compounds 466 10.12.7 Organo Halide Pesticide 466 10.12.8 Organo Sulphur Compounds 467 10.12.9 Organo Phosphorous Compounds 467 11 Environmental Disasters 469 11.1 Introduction to Environmental Disasters 469 11.2 Types of Environmental Disasters 469 11.2.1 Agricultural Disasters 469 11.2.2 Biodiversity Disasters 470 11.2.3 Industrial Disasters 470 11.2.4 Human Health Disasters 470 11.2.5 Natural Disasters 470 11.2.6 Nuclear Disasters 470 11.2.7 Geo-Hydrological Disasters 471 11.2.8 Climate Change and Disasters 472 11.3 Historical Environmental Disasters 472 11.3.1 “Fat Man” and “Little Boy” Attack on Japan (1945) 472 11.3.2 Plant Emissions in Donora, Penn., U.S. (1948) 473 11.3.3 Four-Day Fog in London, England (1952) 473 11.3.4 Love Canal, Niagara Falls, New York (1953) 474 11.3.5 New York Smog (1966) 474 11.3.6 Smiling Buddha Indian Nuclear Test (1974) 475 11.3.7 Release of Methyl Isocynate in Bhopal, India (1984) 475 11.3.8 Radionuclide Releases, Chernobyl, Ukraine (1986) 476 11.3.9 Air Pollution Asia (2016) 477 11.3.10 Fuel Tanker Explosion, Bahawalpur, Pakistan (2017) 477 11.3.11 Beirut Explosion, Lebanon (2020) 478 12 Hazardous Wastes 479 12.1 Introduction to Hazardous Wastes 479 12.2 Classification of Hazardous Wastes 479 12.3 Characteristics of Hazardous Wastes 480 12.4 Types of Wastes 495 12.4.1 Radionuclides/Nuclear Waste 526 12.4.2 Chemical Waste 527 12.4.3 Biological Waste 527 12.5 Hazardous Waste Management 528 12.5.1 Radionuclide/Nuclear Waste Management 528 12.5.2 Chemical Waste Management 529 12.5.3 Biological Waste Management 529 13 Non-Renewable Energy Resources 531 13.1 What Is Energy? 531 13.2 Types of Energy 532 13.3 Natural Gas 533 13.3.1 Global Statistics 533 13.3.2 Historical Perspective 534 13.3.3 Chemical Composition 535 13.3.4 Process of Formation of Natural Gas 535 13.3.5 Generation and Transmission of Electricity 536 13.3.6 What Is LNG? 537 13.3.7 Advantages and Disadvantages 537 13.4 Coal 538 13.4.1 Global Trends in Coal 538 13.4.2 Historical Milestones 538 13.4.3 Types of Coal 539 13.4.4 Process of Coal Formation 540 13.4.5 Electricity Production from Coal Power Plant 540 13.4.6 Coal in Steel Production 540 13.4.7 Coal Liquification 541 13.4.8 Coal and Cement 542 13.4.9 Advantages and Disadvantages 542 13.5 Petroleum 543 13.5.1 Global Petroleum Reserves 543 13.5.2 Historical Perspective 544 13.5.3 Chemistry of Petroleum 544 13.5.4 Classification of Crude Oil 545 13.5.5 Process of Formation 545 13.5.6 Worldwide Applications of Petroleum 546 13.5.7 Advantages and Disadvantages 546 13.6 Nuclear Energy 547 13.6.1 Nuclear Fusion 547 13.6.2 Nuclear Fission 549 13.6.3 Nuclear Reactor 550 13.6.4 Generation of Electricity from Nuclear Energy 550 13.6.5 Global Statistical Perspective 552 13.6.6 Future Demands of Nuclear Energy 552 13.6.7 Advantages and Disadvantages 553 14 Renewable Energy Resources 555 14.1 Introduction to Renewable Energy Resources 555 14.2 Wind Energy 556 14.2.1 History of Wind Energy 557 14.2.2 World Wind Energy Statistics 558 14.2.3 Types of Wind Turbines 558 14.2.3.1 Horizontal Axis Wind Turbine 559 14.2.3.2 Vertical Axis Wind Turbine 560 14.2.3.3 Ducted Wind Turbines 560 14.2.4 Method of Electricity Generation from Wind Energy 561 14.2.5 Importance of Area Selection for Wind Energy 562 14.2.6 Advantages and Disadvantages 562 14.3 Solar Energy 563 14.3.1 Historical Perspective 563 14.3.2 Global Statistics 564 14.3.3 Types of Solar Cells 565 14.3.3.1 Amorphous Silicon Solar Cell 565 14.3.3.2 Crystalline Silicon Solar Cell 565 14.3.3.3 Monocrystalline Solar Cell 566 14.3.3.4 Polycrystalline Solar Cell 566 14.3.3.5 Thin Film Solar Cell 567 14.3.4 Working Principle of Solar Energy System 567 14.3.5 Advantages and Disadvantages 569 14.4 Water-Derived Energy 569 14.4.1 Tidal Power 569 14.4.2 Wave Power 570 14.4.3 Ocean Thermal Energy Conversion 570 14.4.4 Method of Generation of Electricity 571 14.4.5 Advantages and Disadvantages 572 14.5 Geothermal Energy 572 14.5.1 Brief History 573 14.5.2 Statistical Interpretation 573 14.5.3 Principles of Electricity Generation 574 14.5.4 Geysers 575 14.5.5 Flash Steam Geothermal Power Plant 576 14.5.6 Binary Cycle Geothermal Power Plant 576 14.5.7 Advantages and Disadvantages 577 14.6 Fuel Cells 577 14.6.1 History of Fuel Cells 577 14.6.2 Types of Fuel Cells 578 14.6.2.1 Alkaline Fuel Cells (AFC) 578 14.6.2.2 Molten Carbonate Fuel Cells (MCFC) 578 14.6.2.3 Phosphoric Acid Fuel Cells (PAFC) 579 14.6.2.4 Polymer Electrolyte Membrane Fuel Cells (PEMFC) 579 14.6.2.5 Solid Oxide Fuel Cells (SOFC) 580 14.6.3 Working Principle of Fuel Cell 580 14.6.4 Advantages and Disadvantages 581 15 Biofuels 583 15.1 Introduction to Biofuels 583 15.2 Properties of Biofuels 584 15.2.1 Molecular Structure 584 15.2.2 Physical Properties 584 15.2.3 Chemical Properties 585 15.3 Potential of Biomass 586 15.4 Biofuel Standardization 587 15.5 Types of Biofuels 587 15.5.1 First-Generation Biofuels 588 15.5.2 Second-Generation Biofuels 588 15.5.3 Third-Generation Biofuels 589 15.6 Bioethanol 589 15.6.1 Food Stock Production 589 15.6.1.1 Sugar Crops 590 15.6.1.2 Starch Crops 592 15.6.1.3 Cellulosic Feedstock 593 15.6.2 Bioethanol Production 593 15.6.2.1 Sugar to Ethanol Process 594 15.6.2.2 Starch to Ethanol Process 594 15.6.2.3 Cellulose to Ethanol Process 595 15.6.2.4 Distillation and Dehydration Process 596 15.6.3 Properties of Bioethanol 596 15.6.4 Technology Applications of Bioethanol 597 15.6.4.1 Spark Ignition Engines 597 15.6.4.2 Fuel Cells 597 15.6.5 Standardization of Bioethanol 598 15.6.6 Energy Balance of Bioethanol 598 15.6.7 Bioethanol Emissions 599 15.6.7.1 Green House Emissions 599 15.6.7.2 Toxic Exhaust Emissions 600 15.6.8 Other Environmental Aspects of Bioethanol 600 15.6.8.1 Water Issues 600 15.6.8.2 Land Use and Biodiversity 601 15.6.8.3 Human Health 602 15.6.9 Economy of Bioethanol 602 15.7 Lipid-Derived Biofuels 603 15.7.1 Feedstock Production 603 15.7.1.1 Oil Seed Crops 604 15.7.1.2 Microalgae 606 15.7.1.3 Animal Fats 607 15.7.1.4 Waste Oils 608 15.7.2 Fuel Production 608 15.7.2.1 Oil Extraction 609 15.7.2.2 Oil Refining 610 15.7.2.3 Trans Esterification 611 15.7.3 Properties and Use of Lipid Biofuels 612 15.7.3.1 Properties of Pure Plant Oil 612 15.7.3.2 Properties of Biodiesel 613 15.7.4 Technology Applications of Lipid Biofuels 614 15.7.4.1 Compression Ignition Engine for Biodiesel Use 614 15.7.4.2 Compression Ignition Engine for PPO Use 615 15.7.5 Standardization of Lipid Biofuels 615 15.7.5.1 Standardization of PPO 615 15.7.5.2 Standardization of Biodiesel 615 15.7.7 Emission of Lipid Biofuels 617 15.7.7.1 Greenhouse Gas Emissions 617 15.7.7.2 Toxic Exhaust Emissions 618 15.7.8 Other Environmental Impacts of Lipid Biofuels 618 15.7.8.1 Water Issues 619 15.7.8.2 Land Use and Biodiversity 619 15.7.8.3 Human Health 620 xxii Contents 15.7.9 Economy of Lipid Biofuels 620 15.8 BtL Fuels 621 15.8.1 Feedstock Production 621 15.8.2 BtL Production 622 15.8.2.1 Gasification 622 15.8.2.2 Gas Cleaning 623 15.8.2.3 Synthesis Process 623 15.8.3 Properties and Emissions of BtL Fuels 624 15.9 Biomethane 624 15.9.1 Feedstock Production 624 15.9.2 Biomethane Production 625 15.9.2.1 Digestion Process 625 15.9.2.2 Digestion Types 626 15.9.2.3 Biogas Purification 627 15.9.3 Properties and Use of Biomethane 627 15.9.4 Technology Applications of Biomethane 627 15.9.4.1 Infrastructure Requirements for Biomethane 627 15.9.4.2 Vehicle Technologies for Biomethane 628 15.9.5 Standardization of Biomethane 628 15.9.6 Biomethane Emissions 629 15.9.6.1 Greenhouse Gas Emissions 629 15.9.6.2 Toxic Exhaust Emissions 629 15.9.7 Other Environmental Effects of Biomethane 629 15.9.8 Economy of Biomethane 630 15.10 Biohydrogen 630 15.10.1 Biohydrogen Processing 630 15.10.2 Use of Biohydrogen 632 15.11 Biomass Conversion Inhibitors and in situ Detoxification 632 15.11.1 Introduction to Inhibitors 632 15.11.2 Inhibitory Compounds Derived from Biomass Pretreatment 633 15.11.3 Inhibitory Effects 635 15.11.4 Removal of Inhibitors 636 15.11.5 Inhibitor Tolerant Strain Development 637 15.11.6 Inhibitor Conversion Pathways 638 15.11.7 Molecular Mechanism of in situ Detoxification 639 15.12 Policies in Biofuel 642 15.13 Strategies for New Vehicle Technologies 643 15.14 Market Barriers of Biofuels 644 About the Authors 647 Index 649

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Book SynopsisThe 102nd 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 Brook Rearrangement 1Lu Gao, Wenyu Yang, Ya Wu, and Zhenlei Song 2. Alkyne Metathesis 613Daesung Lee, Ivan Volchkov, and Sang Young Yun Cumulative Chapter Titles by Volume 933 Author Index, Volumes 1–102 953 Chapter and Topic Index, Volumes 1–102 961

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Book SynopsisThe 103rd 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. This volume is published in two parts, A and B.Table of ContentsVolume 103a 1. Transition-Metal-Catalyzed Alkyne Hydroarylation with Arylmetals and Aryl Halides Yoshihiko Yamamoto 1 Volume 103b 2. [3 + 2] Cycloadditions of Azomethine Imines 529Uroš Grošelj and Jurij Svete 3. Propargylic Coupling Reactions via Bimetallic Alkyne Complexes: The Nicholas Reaction 931James R. Green and Kenneth M. Nicholas Cumulative Chapter Titles by Volume 1327 Author Index, Volumes 1–103 1346 Chapter and Topic Index, Volumes 1–103 1353

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Book SynopsisThe 104th 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. Kinetic Resolution and Desymmetrization of Alcohols and Amines by Nonenzymatic, Enantioselective Acylation 1Aileen B. Frost, Elizabeth S. Munday, Stefania F. Musolino, Andrew D. Smith, Mark D. Greenhalgh and James E. Taylor 2. The Piancatelli Reaction 499Lucile Marin, Emmanuelle Schulz, David Leboeuf and Vincent Gandon 3. Transition-Metal-Mediated and Transition-Metal-Catalyzed Carbon–Fluorine Bond Formation 613Constanze N. Neumann and Tobias Ritter Cumulative Chapter Titles by Volume 871 Author Index, Volumes 1–104 891 Chapter and Topic Index, Volumes 1–104 899

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Book SynopsisGreen Adhesives: Preparation, Properties and Applications deals with the fabrication methods, characterization, and applications of green adhesives. It also includes the collective properties of waterborne, bio, and wound-healing green adhesives. Exclusive attention is devoted to discussing the applications of green adhesives in biomedical coatings, food, and industrial applications.Table of ContentsPreface xv 1 Anti-Adhesive Coatings: A Technique for Prevention of Bacterial Surface Fouling 1Xiaohong Sun, Songyuan Zhang, Hui Li and Nandika Bandara 1.1 Bacterial Surface Fouling (Biofouling) 2 1.2 Negative Effects of Biofouling by Bacteria on Practical Applications 2 1.3 Anti-Adhesive Coatings for Preventing Bacterial Surface Fouling 3 1.3.1 Hydrophilic Polymers 3 1.3.2 Zwitterionic Polymers 7 1.3.3 Super-Hydrophobic Polymers 9 1.3.4 Slippery Liquid Infused Porous Surfaces (SLIPS) 10 1.3.5 Protein and Glycoprotein-Based Coatings 12 1.4 Bifunctional Coatings With Anti-Adhesive and Antibacterial Properties 13 1.5 Concluding Remarks 16 Acknowledgments 16 References 17 2 Lignin-Based Adhesives 25Xiaolin Luo and Li Shuai 2.1 Introduction 25 2.2 Native Lignin and Source of Technical Lignin 27 2.2.1 Native Lignin 27 2.2.2 Technical Lignins 28 2.3 Limitations of Technical Lignins 29 2.3.1 Heterogeneity of Technical Lignins 29 2.3.2 Reactivity of Technical Lignins 30 2.4 Lignin Pre-Treatment/Modification for Adhesive Application 32 2.4.1 Physical Pre-Treatment 32 2.4.2 Chemical Modification 35 2.5 Challenges and Prospects 45 2.6 Conclusions 47 References 47 3 Green Adhesive for Industrial Applications 57Priyanka E. Bhaskaran, Thangavel Subramaniam, Gobinath Velu Kaliyannan, Sathish Kumar Palaniappan and Rajasekar Rathanasamy 3.1 Introduction 57 3.2 Advanced Green Adhesives Categories—Industrial Applications 59 3.2.1 Keta Spire Poly Etherether Ketone Powder Coating 59 3.2.2 Bio-Inspired Adhesive in Robotics Field Application 60 3.2.3 Bio-Inspired Synthetic Adhesive in Space Application 62 3.2.3.1 Micro Structured Dry Adhesive Fabrication for Space Application 62 3.2.4 Natural Polymer Adhesive for Wood Panel Industry 72 3.2.5 Tannin Based Bio-Adhesive for Leather Tanning Industry 74 3.2.6 Conductive Adhesives in Microelectronics Industry 76 3.2.7 Bio-Resin Adhesive in Dental Industry 78 3.2.8 Green Adhesive in Fiberboard Industry 79 3.3 Conclusions and Future Scope 81 References 81 4 Green Adhesives for Biomedical Applications 85Julliana Ribeiro Alves dos Santos, Alessandra Teixeira de Macedo, Audirene Amorim Santana, Maria Eliziane Pires de Souza, Rodrigo Assuncao Holanda and Glauber Cruz 4.1 Introduction 86 4.2 Main Raw Materials of Green Adhesives: Structure, Composition, and Properties 87 4.2.1 Chitosan 88 4.2.2 Alginate 90 4.2.3 Lignin 93 4.2.4 Lactic Acid PLA 94 4.3 Properties Characterization of Green Adhesives for Biomedical Applications 96 4.3.1 Diffraction X-Rays (DRX) 98 4.3.2 Atomic Force Microscopy (AFM) 99 4.3.3 Scanning Electron Microscope (SEM Images) 100 4.3.4 Wettability or Contact Angle (CA) 101 4.3.5 Fourier Transform Infrared Spectroscopy (FTIR) 102 4.3.6 Inductively Coupled Plasma—Optical Emission Spectrometry (ICP-OES) 103 4.3.7 Thermal Analysis (TG/DTG/DTA and DSC Curves) 104 4.3.8 Surface Area and Porosimetry Analyzer (ASAP) 105 4.3.9 Mechanical Properties of Green Adhesives 105 4.4 Biomedical Applications of Natural Polymers 106 4.4.1 Alginate 107 4.4.1.1 Biomedical Applications of Alginate 107 4.4.2 Chitosan 108 4.4.2.1 Biomedical Applications of Chitosan 108 4.4.3 Lignin 109 4.4.3.1 Biomedical Applications of Lignin 109 4.4.4 Polylactide (PLA) 110 4.4.4.1 Biomedical Applications of PLA 110 4.5 Final Considerations 111 Acknowledgements 111 References 112 5 Waterborne Adhesives 121Sukanya Pradhan 5.1 Introduction 121 5.1.1 Motivation for the Use of Waterborne Adhesives 122 5.1.1.1 Sustainability and Environment Regulations 122 5.1.1.2 Circular Economy 122 5.1.1.3 Avoid Harmful Emissions 122 5.1.1.4 Development of Novel and Sustainable End Products 122 5.1.2 Environmental Effects and Mankind Toxicity Analysis 123 5.2 Performance of Waterborne Adhesives: An Overview 124 5.2.1 Waterborne Polyurethane (WBPU) Adhesives 124 5.2.1.1 Chemical Structure of Waterborne PU 124 5.2.1.2 Performances of WBPU Adhesives 124 5.2.2 Waterborne Epoxy Adhesive 125 5.3 Conclusions 126 References 126 6 Using Polyfurfuryl Alcohol as Thermoset Adhesive/Sealant 129Rakesh Kumar and Rajnish Kumar 6.1 Introduction 130 6.2 Furfuryl Alcohol as Adhesives 132 6.3 Polyfurfuryl Alcohol as Sealants 133 6.3.1 Effect of Different Parameters on the Curing of PFA-Based Sealants 134 6.4 Applications 140 6.5 Conclusions 141 Acknowledgement 142 References 142 7 Bioadhesives 145M. Ramesh and L. Rajesh Kumar 7.1 Introduction 146 7.2 History of Bioadhesives 148 7.3 Classification of Bioadhesives 149 7.4 Mechanism of Bioadhesion 150 7.4.1 Mechanical Interlocking 151 7.4.2 Chain Entanglement 152 7.4.3 Intermolecular Bonding 152 7.4.4 Electrostatic Bonding 153 7.5 Testing of Bioadhesives 153 7.5.1 In Vitro Methods 153 7.5.1.1 Shear Stress Measurements 153 7.5.1.2 Peel Strength Evaluation 154 7.5.1.3 Flow Through Experiment and Plate Method 154 7.5.2 Ex Vitro Methods 155 7.5.2.1 Adhesion Weight Method 155 7.5.2.2 Fluorescent Probe Methods 156 7.5.2.3 Falling Liquid Film Method 156 7.6 Application of Bioadhesives 157 7.6.1 Bioadhesives as Drug Delivery Systems 157 7.6.2 Bioadhesives as Fibrin Sealants 158 7.6.3 Bioadhesives as Protein-Based Adhesives 158 7.6.4 Bioadhesives in Tissue Engineering 159 7.7 Conclusion 160 References 161 8 Polysaccharide-Based Adhesives 165Asad Ali, Kanwal Rehman, Humaira Majeed, Muhammad Fiaz Khalid and Muhammad Sajid Hamid Akash 8.1 Introduction 166 8.2 Cellulose-Derived Adhesive 167 8.2.1 Esterification 167 8.2.1.1 Cellulose Nitrate 167 8.2.1.2 Cellulose Acetate 169 8.2.1.3 Cellulose Acetate Butyrate 169 8.2.2 Etherification 169 8.2.2.1 Methyl Cellulose 169 8.2.2.2 Ethyl Cellulose 170 8.2.2.3 Carboxymethyl Cellulose 170 8.3 Starch-Derived Adhesives 170 8.3.1 Alkali Treatment 171 8.3.2 Acid Treatment 171 8.3.3 Heating 171 8.3.4 Oxidation 172 8.4 Natural Gums Derived-Adhesives 172 8.5 Fermentation-Based Adhesives 172 8.6 Enzyme Cross-Linked-Based Adhesives 173 8.7 Micro-Biopolysaccharide-Based Adhesives 173 8.8 Mechanism of Adhesion 173 8.9 Tests for Adhesion Strength 174 8.10 Applications 176 8.10.1 Biomedical Applications 176 8.10.2 Food Stuffs Applications 176 8.10.3 Pharmaceutical Applications 177 8.10.4 Agricultural Applications 177 8.10.5 Cigarette Manufacturing 177 8.10.6 Skin Cleansing Applications 177 8.11 Conclusion 178 References 178 9 Wound Healing Adhesives 181Humaira Majeed, Kanwal Rehman, Asad Ali, Muhammad Fiaz Khalid and Muhammad Sajid Hamid Akash 9.1 Introduction 181 9.2 Wound 182 9.2.1 Types of Wounds 185 9.2.1.1 Acute Wounds 185 9.2.1.2 Chronic Wounds 185 9.3 Structure and Function of the Skin 185 9.4 Mechanism of Wound Healing 186 9.5 Wound Closing Techniques 187 9.6 Wound Healing Adhesives 187 9.7 Types of Wound Healing Adhesives Based Upon Site of Application 189 9.7.1 External Use Wound Adhesives 190 9.7.1.1 Steps for Applying External Wound Healing Adhesives on Skin 190 9.7.2 Internal Use Wound Adhesives 190 9.8 Types of Wound Healing Adhesives Based Upon Chemistry 191 9.8.1 Natural Wound Healing Adhesives 191 9.8.1.1 Fibrin Sealants/Fibrin-Based Tissue Adhesives 191 9.8.1.2 Albumin-Based Adhesives 194 9.8.1.3 Collagen and Gelatin-Based Wound Healing Adhesives 195 9.8.1.4 Starch 195 9.8.1.5 Chitosan 196 9.8.1.6 Dextran 196 9.8.2 Synthetic Wound Healing Adhesives 197 9.8.2.1 Cyanoacrylate 197 9.8.2.2 Poly Ethylene Glycol-Based Wound Adhesives (PEG) 198 9.8.2.3 Hydrogels 198 9.8.2.4 Polyurethane 200 9.9 Summary 200 References 200 10 Green-Wood Flooring Adhesives 205Mustafa Kucuktuvek 10.1 Introduction 205 10.2 Wood Flooring 212 10.2.1 Softwood Flooring 212 10.2.2 Hardwood Flooring 213 10.2.3 Engineered Wood Flooring 213 10.2.4 Laminate Flooring 213 10.2.5 Vinyl Flooring 214 10.2.6 Agricultural Residue Wood Flooring Panels 214 10.3 Recent Advances About Green Wood-Flooring Adhesives 215 10.3.1 Xylan 216 10.3.2 Modified Cassava Starch Bioadhesives 216 10.3.3 High-Efficiency Bioadhesive 217 10.3.4 Bioadhesive Made From Soy Protein and Polysaccharide 217 10.3.5 Green Cross-Linked Soy Protein Wood Flooring Adhesive 217 10.3.6 “Green” Bio-Thermoset Resins Derived From Soy Protein Isolate and Condensed Tannins 218 10.3.7 Development of Green Adhesives Using Tannins and Lignin for Fiberboard Manufacturing 218 10.3.8 Cottonseed Protein as Wood Adhesives 219 10.3.9 Chitosan as an Adhesive 219 10.3.10 PE-cg-MAH Green Wood Flooring Adhesive 219 References 220 11 Synthetic Binders for Polymer Division 227Sathish Kumar Palaniappan, Moganapriya Chinnasamy, Rajasekar Rathanasamy and Samir Kumar Pal List of Abbreviations 228 11.1 Introduction 229 11.2 Classification of Adhesives Based on Its Chemical Properties 230 11.2.1 Thermoset Adhesives 230 11.2.2 Thermoplastic Adhesives 231 11.2.3 Adhesive Blends 232 11.3 Adhesives Characteristics 232 11.4 Adhesives Classification Based on Its Function 233 11.4.1 Permanent Adhesives 233 11.4.2 Removable Adhesives 234 11.4.3 Repositionable Adhesives 235 11.4.4 Blended Adhesives 235 11.4.5 Anaerobic Adhesives 236 11.4.6 Aromatic Polymer Adhesives 237 11.4.7 Asphalt 237 11.4.8 Adhesives Based on Butyl Rubber 238 11.4.9 Cellulose Ester Adhesives 238 11.4.10 Adhesives Based on Cellulose Ether 238 11.4.11 Conductive Adhesives 239 11.4.12 Electrically Conductive Adhesive Materials 239 11.4.13 Thermally Conductive Adhesives 240 11.5 Resin 240 11.5.1 Unsaturated Polyester Resin 240 11.5.2 Monomers 241 11.5.2.1 Unsaturated Polyester 241 11.5.2.2 Alcohol Constituents 241 11.5.2.3 Constituents Like Anhydride and Acid 241 11.5.3 Vinyl Monomers of Unsaturated Polyester Resins 245 11.5.4 Styrenes 245 11.5.5 Acrylates and Methacrylates 245 11.5.6 Vinyl Ethers 245 11.5.7 Fillers 247 11.6 Polyurethanes 247 11.6.1 Monomers 247 11.6.1.1 Diisocyanates 248 11.6.1.2 Phosgene Route 248 11.6.1.3 Phosgene-Free Route 248 11.6.1.4 Polyols 248 11.6.1.5 Vinyl Functionalized Polyols 249 11.6.1.6 Polyols Based on Modified Polyurea 249 11.6.1.7 Polyols Based on Polyester 249 11.6.1.8 Acid and Alcohols-Based Polyesters 250 11.6.2 Rectorite Nanocomposites 250 11.6.3 Zeolite 250 11.7 Epoxy Resins 251 11.7.1 Monomers 251 11.7.1.1 Epoxides 251 11.7.1.2 Hyper Branched Polymers 251 11.7.2 Epoxide Resins Based on Liquid Crystalline Structure 252 11.7.3 Liquid Crystal 252 11.7.4 Liquid-Based Rubbers 253 11.7.5 Silicone-Based Elastomers 253 11.7.6 Rubbery Epoxy Compounds 254 11.7.7 Adhesion Improvers 254 11.7.8 Unsaturated Polyesters 254 11.7.9 Functional Peroxides 254 11.7.10 Acrylics 255 11.7.11 Bismaleimide Based on Modified Urethane 255 11.7.12 Hybrid Materials Comprising Organic and Inorganic Compounds 255 11.7.13 Poly (Ether Ether Ketone) 256 11.7.14 Epoxy Systems Comprising of Vinyl-Based Polymers 256 11.7.15 Characteristics 256 11.7.16 Hybrid- and Mixed-Bases Polymers 257 11.7.17 Copolymers-Based on Epoxy-Siloxane 257 11.8 Phenol Formaldehyde Resin 257 11.8.1 Monomers 259 11.8.2 Phenol 259 11.8.3 O-Cresol 259 11.8.4 Formaldehyde 259 11.8.5 Multihydroxymethylketone 260 11.8.6 Basic Resin Types 260 11.8.6.1 Novolak Resins 260 11.8.6.2 Resol Resins 260 11.8.7 Fillers 261 11.8.8 Reinforcement Based on Jute Fibers 261 11.8.9 Applications and Uses 261 11.8.10 Binders for Glass Fibers 261 11.8.11 Phenolic Binders 262 11.9 Melamine Resins 262 11.9.1 Monomers 263 11.9.2 Other Modifiers 263 11.9.3 Synthesis 263 11.9.4 Etherified Resins 263 11.9.5 Properties 264 11.9.6 Applications and Uses 264 11.10 Furan Resins 264 11.10.1 Monomers 265 11.10.2 Furfural 265 11.10.3 Furfuryl Alcohol 265 11.10.4 Specialties, i.e., Polyimides Based on Furan 265 11.10.5 Special Additives as Reinforcing Materials 266 11.10.6 Curing 266 11.10.7 Recycling Properties 266 11.10.8 Applications and Uses 267 11.10.8.1 Carbons 267 11.10.8.2 Composite Carbon Fiber Materials 267 11.10.8.3 Foundry Binders 268 11.10.8.4 Binders Based on Glass Fiber 268 11.10.8.5 Oil Fields 269 11.10.8.6 Substrates for Plant Growth 269 References 269 Index 273

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Book SynopsisLearn the fundamentals and foundations of modern organic chemistry with this comprehensive guide Foundations of Organic Chemistry: Unity and Diversity of Structures, Pathways, and Reactions, 2nd Edition, is a substantive guide for students beginning their study of organic chemistry and instructors, as well as senior undergraduates and graduate students seeking to further their understanding of the subject. Foundations of Organic Chemistry is a serious attempt to show students who want to learn organic chemistry how we know what we know about the subject and to guide them to learn. In this work, the emphasis of the discussion of structures, pathways, and reactions is placed on the original literature and the fundamentals and use of spectroscopic and kinetic tools. Application of the resulting working knowledge of the substance of organic chemistry will lead the serious student to ask additional questions and, ultimately, to solve problems we Table of ContentsPrologue xix Acknowledgments xxi About the Companion Website xxiii Part I Background 1 1. An Introduction to Structure and Bonding 5 A. The Sources of Carbon Compounds 5 I. How Do We Know a Material is Pure? 6 B. More About Hydrocarbons: Heats of Combustion and Reaction 9 I. Combustion: Heats of Reaction 9 C. On The Nature of the Chemical Bond 12 I. Ionic and Nonpolar Covalent Bonds 12 II. Polar Covalent Bonds: Mixing Orbitals and Molecular Orbitals 17 III. The Use of Orbital Hybridization and Molecular Orbitals 21 a. Summary Comment on Bonding Models 37 IV. Allotropes of Carbon 37 V. Combination of Ionic and Covalent Bonding 37 Notice to the Student 41 Problems 41 Notes and References 44 2. An Introduction to Spectroscopy and Selected Spectroscopic Methods in Organic Chemistry 49 A. General Introduction. The Electromagnetic Spectrum 49 B. X‐Ray Crystallography 51 C. Photon Spectroscopy 52 I. General Introduction 52 II. Ultraviolet and Visible Spectroscopy 54 III. Infrared Spectroscopy 56 IV. Raman Spectroscopy 58 V. Microwave Spectroscopy 58 VI. Magnetic Resonance Spectroscopy 59 a. Nuclear Magnetic Resonance (NMR) 59 1. The Chemical Shift 62 2. Multiplicity (The Coupling Constant: Spin–Spin Splitting) 65 3. The Integrated Area 66 4. Expansion of the Principle 67 5. NMR in Two Dimensions 69 6. Double Resonance 70 7. 13C, 19F, and 31P NMR Spectroscopy 72 b. Electron Spin Resonance (ESR) Spectroscopy or Electron Paramagnetic Resonance (EPR) Spectroscopy 74 D. Mass Spectrometry 75 I. Creation of Ions in the Mass Spectrometer: The Ionization Chamber 76 II. The Separation of Ions by Mass: The Mass Analyzer 76 III. Detecting the Ions 77 Problems 77 Notes and References 78 3. Structure: The Nomenclature of Hydrocarbons and the Shape of Things to Come 83 A. Introduction 83 B. Nomenclature and Spectroscopy 84 I. Alkanes in Two and Three Dimensions 84 a. Acyclic Alkanes 84 b. Cyclic Alkanes 89 II. Alkenes, Arenes, and Alkynes in Two and Three Dimensions 92 a. Alkenes 93 b. Arenes 97 c. Alkynes 102 C. Physical and Chemical Properties: Oxidation and Reduction of Hydrocarbons 104 I. The Concept of Homology 105 II. Oxidation and Reduction 105 a. Oxidation 105 b. Reduction 108 Problems 112 Notes and References 115 4. An Introduction to Dynamics 119 A. Introduction 119 B. Review of Some Energy Considerations 120 C. The Barrier Between Reactants and Products 121 D. More About the Transition State 123 E. Rotation About Sigma (Σ) Bonds in Acyclic Alkanes, Alkenes, Alkynes, and Alkyl‐Substituted Arenes 126 I. Alkanes 126 II. Alkenes, Alkynes, and Alkyl‐Substituted Arenes 129 F. Conformational Analysis of Medium‐Ring Cyclic Alkanes 131 G. The Conservation of Symmetry During Reactions 146 H. The Measurement of Chirality 156 I. The Wave Nature of Light 156 II. Plane‐Polarized Light and Handedness 157 III. Optical Rotatory Dispersion (ORD) and Circular Dichroism (CD) 160 Problems 162 Notes and References 165 5. Classes of Organic Compounds: A Survey Along with an Introduction to Solvents, Acids and Bases, and to More About Computational Chemistry 173 A. Introduction 173 B. General Characteristics of Functional Group Placement 175 C. The Functional Groups, Their Names, and Some Physical and Spectroscopic Properties 176 I. Hydrocarbons 176 a. Alkanes 176 b. Alkenes 176 c. Alkynes 178 d. Arenes 178 II. Alkyl and Aryl Halides 179 III. Alcohols and Phenols 183 IV. Ethers 190 V. Thiols, Thioethers, and Disulfides and Their Oxides 193 VI. Amines, Hydrazines, and Other Nitrogenous Materials 196 VII. Phosphines, Phosphonium Salts, and Other Phosphorus Derivatives 199 VIII. An Introduction to Organometallic Compounds 201 IX. Compounds Containing Unsaturated Functional Groups 204 a. Aldehydes 204 b. Ketones 210 c. Nitrogen, Sulfur, and Phosphorus Analogues of Aldehydes and Ketones 212 d. Carboxylic Acids 213 e. Carboxylic Acid Derivatives 217 1. Carboxylic Acid Halides (Acyl Halides) 218 2. Carboxylic Acid Anhydrides 219 3. Carboxylic Acid Esters and Lactones 221 4. Amides, Lactams, Imides, Hydroxamic Acids, and Ureas 227 5. Nitriles 236 D. An Introduction to Solvents 237 I. Protic and Aprotic Solvents 238 II. Polar and Nonpolar Solvents 238 III. Polarizability 239 IV. Choosing a Solvent 240 a. Solvents for Spectroscopy 240 1. Solvents for UV Spectroscopy 240 2. Solvents for IR and Raman Spectroscopy 240 3. Solvents for NMR Spectroscopy 240 b. Immiscible Liquids 241 c. Organic Compounds That Dissolve in Water 241 d. Phase Transfer Catalysts 242 E. Acids and Bases 242 I. Brønsted Acids and Bases 243 II. Lewis Acids and Bases 245 III. Hard and Soft Acids and Bases (HSAB) 248 F. Computational Methods 250 I. Molecular Mechanics 251 a. Stretching Energy Contribution (Estretch) 251 b. Bending Energy Contribution (Ebend) 251 c. Stretch‐Bend Energy Contribution (Estretch‐bend) 251 d. Van der Waals Energy Contribution (Evan der Waals) 252 e. Torsional Energy Contribution (Etorsional) 252 f. Dipole Interaction Energy and Dipole Moment Contribution (Edipole) 252 Problems 253 Notes and References 255 Part II Middleground 261 6. The Reactions of Hydrocarbons: Oxidation, Reduction, Substitution, Addition, Elimination, and Rearrangement 271 A. Introduction 271 B. Alkanes 271 I. Oxidation 271 II. Reduction 276 III. Substitution 276 IV. Rearrangement 280 C. Alkenes 280 I. Oxidation 280 II. Reduction 286 III. Addition 292 a. Electrophilic Addition 294 1. The Stereochemistry of Electrophilic Addition 295 2. The Regiochemistry of Electrophilic Addition 298 3. The Kinetics of Electrophilic Addition 311 4. Cationic Polymerization: Electrophilic Addition in the Absence of a Reactive Nucleophile 315 5. Electrophilic Addition to Dienes and Polyenes 317 6. Special Cases: The Oxo and Ritter Reactions 321 b. Nucleophilic Addition to Alkenes, Dienes, and Polyenes 323 c. Radical Addition to Alkenes, Dienes, and Polyenes 327 d. Intermolecular Cheletropic and Other Cycloaddition Reactions 329 IV. Substitution 340 V. Rearrangements 343 D. Alkynes 353 I. Oxidation 353 II. Reduction 354 III. Addition 355 a. Electrophilic Addition 356 b. Nucleophilic Addition to Alkynes and Conjugated Ene‐Ynes 362 c. Radical Addition to Alkynes 365 d. Intermolecular Cheletropic and Other Cycloaddition Reactions 365 E. Arenes and Aromaticity: Special Introduction 370 I. Oxidation 377 a. Oxidation of the Aromatic Ring 377 b. Oxidation of Alkyl Substituents on the Aromatic Ring 381 II. Reduction 382 III. Addition 384 IV. Substitution 385 a. Electrophilic Aromatic Substitution 386 b. Nucleophilic Aromatic Substitution 405 c. Free Radical Substitution 405 Problems 407 Notes and References 410 7. The Reactions of Alkyl, Alkenyl, and Aryl Halides: Oxidation, Reduction, Substitution, Addition, Elimination, and Rearrangement 423 A. Introduction 423 B. Fluorocarbons 426 I. Freons and Halons 427 II. Polymers of Highly Fluorinated Monomers 428 III. Use of Fluorocarbons to Carry Oxygen 428 C. Oxidation 428 D. Reduction of Alkyl, Alkenyl, and Aryl Halides 430 I. Dehalogenation and Reductions at Carbon 430 a. Hydrogenolysis 431 b. Substitution of Hydride for Halide 431 c. Radical Replacement of Halogen by Hydrogen 431 d. Reaction of Alkyl, Alkenyl, and Aryl Halides with Metals 433 1. Organomercurials 433 2. Organomagnesium Compounds (Grignard Reagents) 434 3. Alkyl, Alkenyl, and Aryl Lithium Reagents 437 II. Reductions at Halogen 439 E. Nucleophilic Substitution 440 I. Nucleophiles and Nucleophilicity 441 II. Substitution, Nucleophilic, Unimolecular (SN1) 442 a. The Kinetics 443 b. Electronegativity Differences 446 c. The Structure of the Alkyl Group 447 d. The Role of the Solvent 448 e. The Substrate Stereochemistry Attending the SN1 Reaction 449 III. Substitution, Nucleophilic, Bimolecular (SN2) 452 a. The Kinetics 454 b. The Stereochemistry Attending the SN2 457 c. The Nature of the Leaving Group 459 d. The Nature of the Nucleophile 459 e. The Nature of the Solvent 460 IV. The SN2′ Reaction 460 V. Nucleophilic Aromatic Substitution 460 a. The Elimination–Addition Pathway (Benzyne) 461 b. The Addition–Elimination Pathway (SNAr Substitution) 462 VI. Electrophilic Aromatic Substitution 463 VII. Substitution by Carbon 464 VIII. Photochemically Induced Substitution of Vinyl and Aryl Halides 468 F. Addition Reactions 468 I. Addition Reactions to Vinyl and Allyl Halides 469 G. Elimination Reactions of Alkyl and Alkenyl Halides 473 I. α‐Elimination (1,1‐Elimination) 474 a. α‐Elimination of HX (X = Cl, Br) from Alkyl and Alkenyl Halides 474 b. α‐Elimination of X2 (X = Cl) from Alkyl Dihalides 475 II. β‐Elimination (1,2‐Elimination) 475 a. β‐Elimination of HX (X = F, Cl, Br, I) from Alkyl and Alkenyl Halides 475 1. Elimination, Unimolecular (E1) 476 2. Elimination, Unimolecular, conjugate base (E1cb) 482 3. Elimination, Bimolecular (E2) 484 4. 1,2‐Elimination and the Primary Deuterium Isotope Effect 498 b. 1,2‐ or α,β‐Elimination of X2 (X = Cl, Br) from Alkyl and Alkenyl Dihalides 501 III. γ‐Elimination (1,3‐Elimination) and δ‐Elimination (1,4‐Elimination) 502 a. γ‐Elimination of HX (X = Cl, Br, I) from Alkyl and Alkenyl Halides 502 b. γ‐Elimination of X2 (X = Cl, Br, I) from Alkyl Halides 502 c. δ‐Elimination of X2 (X = Cl, Br, I) from Alkenyl Halides 503 H. Rearrangement Reactions of Alkyl and Alkenyl Halides 503 Problems 510 Notes and References 512 8. Part I. The Reactions of Alcohols, Enols, and Phenols: Oxidation, Reduction, Substitution, Addition, Elimination, and Rearrangement Part II. Ethers Part III. Selected Reactions of Alkyl and Aryl Thiols and Thioethers 523 Special Introduction 523 Part I. Alcohols, Enols, and Phenols 526 A. Acidity and Basicity 526 B. Oxidation of Alcohols, Enols, and Phenols 533 I. Introduction 533 II. Oxidation at the Hydroxyl‐Bearing Carbon 534 a. Chemical Oxidation of Alcohols 534 b. Biological Oxidation of Alcohols 547 III. Oxidation at Sites That Do Not Bear the Hydroxyl 549 a. Oxidation of Enols 549 b. Oxidation of Phenols 553 c. Oxidation at the Double Bond of Allylic Alcohols 555 C. Reduction of Alcohols, Enols, and Phenols 559 I. Reduction of Alcohols 559 II. Reduction of Enols and Phenols 560 D. Substitution Reactions of Alcohols, Enols, and Phenols 563 I. Introduction 563 II. Substitution Reactions of Alcohols, Enols, and Phenols at Oxygen 564 III. Substitution Reactions of Alcohols at Carbon 566 a. Formation of Alkyl Halides 566 b. Replacement of the Hydroxyl (–OH) Functional Group by Other Substituents 567 c. Replacement of the Hydroxyl (–OH) Functional Group by Carbon 571 1. An Example from Nature 571 IV. Substitution Reactions of Enols and Phenols at Carbon 572 a. Substitution at the Carbon‐Bearing Oxygen 572 b. Electrophilic Aromatic Substitution of Phenols 574 E. Addition Reactions of Alcohols, Enols, and Phenols 581 I. Introduction 581 II. Addition of the Oxygen of Alcohols to Carbon (with Loss of Hydrogen) 583 F. Elimination Reactions of Alcohols, Enols, and Phenols 599 I. Introduction 599 II. Acid‐Catalyzed Elimination of Water 601 III. Elimination from Derivatives of Alcohols 604 G. Rearrangement Reactions of Alcohols, Enols, and Phenols 614 I. Introduction 614 Part II. Ethers 624 A. Introduction 624 B. The Reactions of Ethers 625 Part III. Thiols, Thioethers, and Some Products of Their Oxidation 638 Problems 648 Notes and References 649 9. Part I. The Reactions of Aldehydes and Ketones : Oxidation, Reduction, Addition, Substitution, and Rearrangement Part II. The Reactions of Carboxylic Acids and Their Derivatives: Oxidation, Reduction, Addition, Substitution, Elimination, and Rearrangement 667 Introduction 667 Part I. Aldehydes and Ketones 676 A. Oxidation of Aldehydes and Ketones 676 B. Reduction of Aldehydes and Ketones 687 I. Introduction 687 II. Reduction of Aldehydes and Ketones to Hydrocarbons 688 III. Reduction of Aldehydes and Ketones to Alcohols 688 C. Addition to Aldehydes and Ketones 700 I. Introduction 700 II. Photochemical Reactions of Aldehydes and Ketones 703 a. Nonconjugated Carbonyl Compounds 703 b. Conjugated Carbonyl Compounds 704 III. Thermal Electrocyclic and Related Reactions of Aldehydes and Ketones 706 a. Nonconjugated Carbonyl Compounds 706 b. Conjugated Carbonyl Compounds 710 c. The Carbonyl “Ene” Reaction 711 IV. Nucleophilic Addition Reactions Retaining the Carbonyl Oxygen 711 a. General Comments 711 b. Addition of H–X 713 c. Addition of Carbon Nucleophiles 715 1. Hydrogen Cyanide 715 2. Organometallic Reagents 716 3. The Aldol Reaction (Without Dehydration) 719 4. The Darzens Glycidic Ester Condensation 727 5. Epoxide Syntheses 728 V. Nucleophilic Addition Reactions with Loss of the Carbonyl Oxygen 734 a. General Comments 734 b. Formation of Acetals, Ketals, and Thioketals 735 c. Reaction of Aldehydes and Ketones with Nitrogen Nucleophiles 737 d. Replacement of the Carbonyl Oxygen by Halogen and Sulfur 746 e. Replacement of the Oxygen of the Carbonyl by Carbon 749 f. Addition to the Carbon Alpha (α) to the Carbonyl (C=O) 761 1. Halogenation 761 2. Alkylation 762 3. C-Alkylation Versus O-Alkylation 762 4. Regioselectivity 764 5. Stereoselectivity 768 6. Enamine-Assisted Alkylation of Ketones 768 D. Substitution Reactions Producing Aldehydes and Ketones 770 I. Introduction 770 II. Reimer–Tiemann Synthesis. 770 III. Gattermann–Koch (Friedel–Crafts) Formylation 770 IV. The Pauson–Khand Reaction 773 E. Rearrangement Reaction of Aldehydes and Ketones 773 I. Introduction 773 II. The Benzilic Acid Rearrangement 773 III. The Dienone–Phenol Rearrangement 775 IV. Anionic Rearrangements 776 Part II. Carboxylic Acids and Their Derivatives 778 A. General Introduction 778 B. Oxidation 780 C. Reduction 786 D. Substitution: Addition and Elimination 793 E. Additional Reactions and Rearrangements of Esters and β‐Dicarbonyl Compounds 840 Problems 848 Notes and References 853 10. Part I. The Reactions of Amines: Oxidation, Reduction, Addition, Substitution, and Rearrangement Part II. Some Organophosphorus Chemistry Part III. Some Organosilicon Chemistry 865 Part I. The Reactions of Amines: Introduction and Comments on the Synthesis of Amines 865 A. Oxidation of Amines 876 I. Oxygen and Peroxide Oxidation 876 II. Other Oxidizing Agents. 882 a. General 882 b. Oxidation by Halogen 884 c. Oxidation with Nitrous Acid 885 B. Reduction of Amines 886 C. Addition and Substitution Reactions of Amines with a General Introduction 889 D. Addition and Rearrangement Reactions of Amines 898 Part II. Some Organophosphorus Chemistry 915 Part III. Some Organosilicon Chemistry 921 Problems 934 Notes and References 935 Part III Foreground 941 11. An Introduction to Carbohydrates, Acetogenins, and Steroids 945 A. Introduction 945 B. The Calvin Cycle 945 C. Carbohydrates 955 I. Biosynthesis 955 II. Chemistry 955 III. Oligosaccharides 969 IV. Polysaccharides 972 D. Acetogenins 974 I. Acetyl Coenzyme A (CH3COS‐CoA) 974 II. Acetyl‐CoA (CH3CO‐SCoA) to Fatty Acids and Related Compounds 979 III. Isoprenoids: To Dimethylallyl Diphosphate and Beyond 983 a. Dimethylallyl Diphosphate from Acetyl Coenzyme A via Mevalonate 983 b. Dimethylallyl Diphosphate from Pyruvate and Glyceraldehyde 990 1. The 1‐Deoxy‐d‐xylulose 5‐Phosphate Pathway 990 c. Terpenes 991 d. Loose Ends 1019 1. Cannabinoid Biosynthesis 1019 2. Iridoids (Loganin and Secologanin) 1020 3. Shikimic Acid, Isoshikimic Acid, and Prephenic Acid 1021 4. The Citric Acid Cycle (or the Tricarboxylic Acid [TCA] Cycle or the Krebs Cycle) 1027 Problems 1034 Notes and References 1035 12. An Introduction to Amino Acids, Peptides and Proteins, Enzymes, and Coenzymes and Metabolic Processes 1045 A. Introduction 1045 B. Amino Acids 1050 I. Biosynthesis 1050 II. Synthesis 1080 C. Peptides and Proteins: Introduction 1103 I. Amino Acids from Peptides 1105 II. Peptides from Amino Acids: In Vivo 1113 III. Peptides from Amino Acids: In Vitro 1121 D. The Coenzymes 1129 I. Pyridoxal Phosphate 1129 II. Lipoic Acid 1132 III. Thiamine Diphosphate 1134 a. 4‐Amino‐5‐hydroxymethyl‐2‐methylpyrimidine 1134 b. 4‐Methyl‐5‐(2‐phosphonooxyethyl)thiazole 1135 c. 3‐[(4‐Amino‐2‐methylpyrimidin‐5‐yl)methyl]‐5‐(2‐diphosphoethyl)‐4‐methyl‐1,3‐thiazolium 1136 IV. Biotin 1140 V. Adenosine 1143 VI. Nicotinamide Adenine Dinucleotide 1149 VII. Coenzyme A (CoA‐SH) 1152 VIII. Flavin Adenine Dinucleotide 1157 IX. S‐Adenosylmethionine 1160 X. Tetrahydrofolate 1162 Notes and References 1168 13. An Introduction to Alkaloids and Some Other Heterocyclic Compounds 1179 A. Introduction 1179 B. Tropane Alkaloids 1181 I. Chemistry of Hyoscyamine 1181 II. Chemistry of Nicotine 1187 III. Biosynthesis of Hyoscyamine and Nicotine 1192 a. The Common Feature 1192 b. The Biosynthesis of Nicotine 1194 c. The Biosynthesis of Hyoscyamine 1194 d. The Biosynthesis of Tropic Acid 1196 C. Morphine (and Codeine and Thebaine) 1197 I. Chemistry of Morphine (and Codeine and Thebaine) 1197 II. The Biosynthesis of Morphine (and Codeine and Thebaine) 1212 III. The Synthesis of Morphine 1217 D. Vinblastine 1222 I. Chemistry of Vinblastine 1222 II. Biosynthesis of Vinblastine 1230 E. Caffeine 1233 I. Some History and the Synthesis of Caffeine 1233 II. Biosynthesis of Caffeine 1236 Notes and References 1242 14. Part I. On the Genetic Code: Unity and Diversity Part II. The Tetrapyrrolic Cofactors and Other Metal–Organic Frameworks 1249 A. Introduction 1249 Part I. The Genetic Code 1249 Part II. Metal–Organic Frameworks 1250 Part I. On The Genetic Code: Unity and Diversity 1250 A. The Bases of Deoxyribonucleic Acid (Dna) and Ribonucleic Acid (RNA) 1250 I. Adenine (A) 1250 II. Guanine (G) 1251 III. Uracil (U) and Thymine (T) 1254 IV. Cytosine (C) 1255 B. Deoxynucleotides 1259 C. The Role of Phosphate 1262 D. The Sequencing of DNA 1265 E. Chemical Synthesis of DNA 1265 F. Modification to DNA 1269 I. Zinc Finger Nucleases (ZFNs) 1272 II. Transcription Activator‐Like Effector Nucleases (TALENs) 1272 III. Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) and Associated Enzymes (Cas) 1273 Part II. The Tetrapyrrolic Cofactors and Other Metal–Organic Frameworks 1274 A. Introduction to Metals in an Organic Framework 1274 B. Some Early Pyrrole Chemistry 1276 C. Current Biosynthetic Understanding 1281 Notes and References 1291 Epilogue 1297 Appendix I The Schrödinger Equation 1299 Appendix II The Literature 1303 Index 1305

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Book SynopsisBattery technology is constantly changing, and the concepts and applications of these changes are rapidly becoming increasingly more important as more and more industries and individuals continue to make greener choices in their energy sources. As global dependence on fossil fuels slowly wanes, there is a heavier and heavier importance placed on cleaner power sources and methods for storing and transporting that power. Battery technology is a huge part of this global energy revolution. Zinc batteries are an advantageous choice over lithium-based batteries, which have dominated the market for years in multiple areas, most specifically in electric vehicles and other battery-powered devices. Zinc is the fourth most abundant metal in the world, which is influential in its lower cost, making it a very attractive material for use in batteries. Zinc-based batteries have been around since the 1930s, but only now are they taking center stage in the energy, automotive, and other industTable of ContentsPreface xiii 1 Carbon Nanomaterials for Zn-Ion Batteries 1Prasun Banerjee, Adolfo Franco Jr, Rajender Boddula, K. Chandra Babu Naidu and Ramyakrishna Pothu 1.1 Introduction 2 1.2 Co4N (CN) - Carbon Fibers Network (CFN) -Carbon Cloth (CC) 2 1.3 N-Doping of Carbon Nanofibers 2 1.4 NiCo2S4 on Nitrogen-Doped Carbon Nanotubes 4 1.5 3D Phosphorous and Sulfur Co-Doped C3N4 Sponge With C Nanocrystal 5 1.6 2D Carbon Nanosheets 6 1.7 N-Doped Graphene Oxide With NiCo2O4 6 1.8 Conclusions 7 Acknowledgements 8 References 8 2 Construction, Working, and Applications of Different Zn-Based Batteries 11G. Ranjith Kumar, K. Chandra Babu Naidu, D. Baba Basha, D. Prakash Babu, M.S.S.R.K.N. Sarma, Ramyakrishna Pothu, and Rajender Boddula 2.1 Introduction 12 2.2 History 13 2.3 Types of Batteries 14 2.3.1 Primary Battery 14 2.3.2 Secondary Battery 14 2.4 Zinc-Carbon Batteries 18 2.5 Zinc-Cerium Batteries 19 2.6 Zinc-Bromine Flow Batteries 20 References 21 3 Nickel and Cobalt Materials for Zn Batteries 25Sonal Singh, Rishabh Sharma and Manika Khanuja 3.1 Introduction 26 3.2 Zinc Batteries 27 3.3 Nickel-Zinc Battery 27 3.3.1 History 27 3.3.2 Basics 28 3.3.3 Materials and Cost 30 3.3.4 Reliability 30 3.3.5 Voltage Drop 30 3.3.6 Performance 31 3.4 Advantages 31 3.5 Challenges 32 3.6 Effect of Metallic Additives, Cobalt and Zinc, on Nickel Electrode 32 3.7 Conclusion 33 References 34 4 Manganese-Based Materials for Zn Batteries 37S. Ramesh, K. Chandrababu Naidu, K. Venkata Ratnam, H. Manjunatha, D. Baba Basha and A. Mallikarjauna 4.1 Introduction 37 4.2 History of the Zinc and Zinc Batteries 38 4.3 Characteristics of Batteries 41 4.3.1 Capacity 41 4.3.2 Current 41 4.3.3 Power Density 41 4.4 MN-Based Zn Batteries 42 4.5 Conclusion 44 References 47 5 Electrolytes for Zn-Ion Batteries 51Praveen Kumar Yadav, Sapna Raghav, Jyoti Raghav and S. S. Swarupa Tripathy 5.1 Introduction 52 5.2 Electrolytes for Rechargeable Zinc Ion Batteries (RZIBs) 53 5.2.1 Aqueous Electrolytes (AqEs) 54 5.2.1.1 Pros and Cons of AEs 55 5.2.1.2 Neutral or Mildly Acidic Electrolytes 58 5.2.2 Non-Aqueous Electrolytes 59 5.2.2.1 Solid Polymer Electrolytes 60 5.2.2.2 Hydrogel or Gel Electrolytes 61 5.2.2.3 Gel Polymer Electrolytes 63 5.2.3 Ionic Liquid Electrolytes 63 5.2.4 Bio-Electrolyte 65 5.3 Summary 65 Abbreviation Table 66 Acknowledgments 66 References 67 6 Anode Materials for Zinc-Ion Batteries 73Muhammad Mudassir Hassan, Muhammad Inam Khan, Abdur Rahim and Nawshad Muhammad 6.1 Introduction 73 6.2 Storage Mechanism 75 6.3 Zinc-Ion Battery Anodes 77 6.4 Future Prospects 81 6.5 Conclusion 81 References 82 7 Cathode Materials for Zinc-Air Batteries 85Seyedeh Maryam Mousavi and Mohammad Reza Rahimpour 7.1 Introduction 85 7.1.1 Cathode Definition 86 7.2 Zinc Cathode Structure 87 7.3 Non-Valuable Materials for Cathode Electrocatalytic 89 7.4 Electrochemical Specifications of Activated Carbon as a Cathode 92 7.4.1 Electrochemical Evaluation of Cathode Substances La1−XCaxCoO3 Zinc Batteries 92 7.5 Extremely Durable and Inexpensive Cathode Air Catalyst 93 7.5.1 Co3O4/Mno2 NPs Dual Oxygen Catalyst as Cathode for Zn-Air Rechargeable Battery 94 7.5.2 Carbon Nanotubes (CNT) Employing Nitrogen as Catalyst in the Zinc/Air Battery System 94 7.5.3 Magnesium Oxide NPs Modified Catalyst for the Use of Air Electrodes in Zn/Air Batteries 94 7.5.4 Silver-Magnesium Oxide Nanocatalysts as Cathode for Zn-Air Batteries 95 7.5.5 One-Step Preparation of C-N Ni/Co-Doped Nanotube Hybrid as Outstanding Cathode Catalysts for Zinc-Air Batteries 95 7.6 Hierarchical Co3O4 Nano-Micro Array With Superior Working Characteristics Using Cathode Ray on Pliable and Rechargeable Battery 96 7.7 Dual Function Oxygen Catalyst Upon Active Iron-Based Zn-Air Rechargeable Batteries 97 7.7.1 Co4N and NC Fiber Coupling Connected to a Free-Acting Binary Cathode for Strong, Efficient, and Pliable Air Batteries 98 7.8 Conclusion 98 Nomenclature 99 References 99 8 Anode Materials for Zinc-Air Batteries 103Abbas Ghareghashi and Ali Mohebbi 8.1 Introduction 104 8.2 Zinc Anodes 105 8.2.1 Downsizing of Zn Anodes 106 8.2.2 Design of Membrane Separators 107 8.2.3 The Use of ZnO Instead of Zn 108 8.2.4 Increase of Surface Area in Zn Anode Structure 110 8.2.5 Coating of Zn Anode 111 8.2.5.1 Bismuth Oxide-Based Glasses 112 8.2.5.2 Silica 114 8.2.5.3 Carbon Nanotubes 115 8.2.5.4 ZnO@C 116 8.2.5.5 Zn-Al LDHs 116 8.2.5.6 ZnO@C-ZnAl LDHs 118 8.2.5.7 Tapioca 119 8.2.5.8 TiO2 122 8.3 Conclusions 123 References 124 9 Safety and Environmental Impacts of Zn Batteries 131Saurabh Sharma, Abhishek Anand, Amritanshu Shukla and Atul Sharma 9.1 Introduction 131 9.2 Working Principle of Zinc-Based Batteries 132 9.2.1 Zinc-Air Batteries Basic Principle and Advances 133 9.2.2 Zinc Organic Polymer Batteries 135 9.2.3 Zinc-Ion Batteries 137 9.2.3.1 Zinc-Silver Batteries 137 9.2.3.2 Zinc-Nickel Batteries 138 9.2.3.3 Zinc-Manganese Battery 140 9.3 Batteries: Environment Impact, Solution, and Safety 141 9.3.1 Disposal of Batteries and Environmental Impact 143 9.3.2 Recycling of Zinc-Based Batteries 143 9.4 Conclusion 146 Acknowledgement 147 References 147 10 Basics and Developments of Zinc-Air Batteries 151Seyedeh Maryam Mousavi and Mohammad Reza Rahimpour 10.1 Introduction 151 10.1.1 Public Specifications 151 10.2 Zinc-Air Electrode Chemical Reaction 153 10.3 Zinc/Air Battery Construction 154 10.4 Primary Zn/Air Batteries 157 10.5 Principles of Configuration and Operation 159 10.6 Developments in Electrical Fuel Zn/Air Batteries 161 10.6.1 Zn/Air Versus Metal/Air Systems 161 10.7 Conclusion 162 References 164 11 History and Development of Zinc Batteries 167Pallavi Jain, Sapna Raghav, Ankita Dhillon and Dinesh Kumar 11.1 Introduction 167 11.2 Basic Concept 169 11.2.1 Components of Batteries 169 11.2.2 Classification of Batteries 171 11.2.2.1 Primary Batteries 171 11.2.2.2 Secondary or Rechargeable Batteries (RBs) 171 11.3 Cell Operation 172 11.3.1 Process of Discharge 172 11.3.2 Process of Charge 172 11.4 History 173 11.5 Different Types of Zinc Batteries 174 11.5.1 Zinc-Carbon Batteries 174 11.5.2 Zinc/Manganese Oxide Batteries (Alkaline Batteries) 174 11.5.3 Zinc/Silver Oxide Battery 174 11.5.4 Zn-Air (Zn-O2) Batteries 176 11.5.4.1 Mechanically Rechargeable Batteries (Zn-O2 Batteries) 177 11.5.4.2 Electrically Rechargeable Batteries (Zn-O2 Batteries) 178 11.5.5 Hybrid Zn-O2 Batteries 178 11.5.5.1 Hybrid Zn-Ni/O2 Batteries 178 11.5.5.2 Hybrid Zn-Co/O2 Batteries 179 11.5.6 Aqueous Zinc-Ion Rechargeable Batteries 180 11.5.6.1 Zn2+ Insertion/Extraction Mechanism 180 11.5.6.2 Chemical Conversion Mechanism 180 11.5.6.3 H+ and Zn2+ Insertion/Extraction Mechanism 181 11.6 Future Perspectives 181 11.7 Conclusion 182 Abbreviations 182 Acknowledgement 183 References 183 12 Electrolytes for Zinc-Air Batteries 187Zahra Farmani, Mohammad Amin Sedghamiz, and Mohammad Reza Rahimpour 12.1 Introduction 187 12.2 Aqueous Electrolytes 188 12.2.1 Alkaline Electrolytes 189 12.2.1.1 Dissolution of Zinc in Alkaline Systems 189 12.2.1.2 Insoluble Carbonates Precipitation 192 12.2.1.3 Effect of Water 193 12.2.1.4 Hydrogen Evolution 194 12.2.2 Neutral Electrolytes 195 12.2.3 Acidic Electrolytes 196 12.3 Electrolytes of Non-Aqueous 197 12.3.1 Non-Aqueous Electrolytes 199 12.3 Summary 203 References 206 13 Security, Storage, Handling, Influences and Disposal/Recycling of Zinc Batteries 215Manju Yadav and Dinesh Kumar 13.1 Introduction 215 13.2 Security of Zinc Battery 217 13.2.1 Modifications for Improving Performance 218 13.2.1.1 High Surface Area 218 13.2.1.2 Carbon-Based Electrode Additives 221 13.2.1.3 Discharge-Capturing Electrode Additives 221 13.2.1.4 Electrode Coatings 222 13.2.1.5 Electrolyte Additives 222 13.2.1.6 Heavy-Metals Electrode Additive 222 13.2.1.7 Polymeric Binders 223 13.2.2 Storage and Handling 224 13.3 Influence of Zinc Battery 224 13.3.1 Consumption of Natural Resources 225 13.3.2 Toxicity of Batteries to Humans 226 13.3.3 Toxicity of Batteries to the Aquatic Environment 226 13.4 Disposal/Recycling Options 227 Acknowledgement 228 References 228 14 Materials for Ni-Zn Batteries 235Vaishali Tomar and Dinesh Kumar 14.1 Introduction 235 14.1.1 Functioning Principles of Nickel-Zinc Battery 237 14.1.2 Ni-Zn Battery Design 238 14.2 Expansion of Ni-Zn Battery 239 14.2.1 Active Materials for the Battery 240 14.3 Application 241 14.4 Conclusion 242 Acknowledgement 243 References 243 Index 249

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Book SynopsisTable of ContentsPreface Acknowledgments Chapter 1 Introduction Chapter 2 Polyurethane Building Blocks 2.1 Polyols 2.11 Polyether polyols 2.111 Building blocks 2.112 Polymerization of alkoxides to polyethers 2.12 Polyester polyols 2.121 Polyester polyol building blocks 2.122 Preparation of polyester polyols 2.123 Aliphatic polyester polyols 2.124 Aromatic Polyester Polyols 2. 13 Other Polyols 2.131 Polycarbonate Polyols 2.1311. Preparation of polycarbonate polyols 2. 132 Polyacrylate polyols 2.1321 Preparation of acrylic polyols 2.14. Filled polyols 2.141 Copolymer polyols 2.142 PHD Polyols 2.143 PIPA polyols 2.15 Seed-oil derived polyols 2.151 Preparation of seed oil derived polyols 2.1511 Epoxidation and ring opening 2.1512 Ozonolysis 2.1513 Hydroformylation and reduction 2.1514 Metathesis 2.16 Prepolymers 2.2 Isocyanates 2.21 TDI 2.211 Conventional Production of TDI 2.212 Non-phosgene routes to TDI 2.2121 Thermolysis of Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-dimethyl ester made from the reaction of toluene diamine with methyl carbonate 2.2122 Thermolysis of Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-dimethyl ester made from the reductive carbonylation of dinitrotoluene. 2.2123 Isocyanates by thermal decomposition of acyl azides – The Curtius rearrangement 2.22 Diphenylmethane diisocyanates (MDI) 2.221 Production of MDI 2.23 Aliphatic Isocyanates 2.231. Production of Aliphatic isocyanates 2.2311 hexamethylene diisocyanate (HDI) 2.2312 Isophorone diisocyanate(IPDI) 2.2313 4,4’- diisocyanatodicyclohexylmethane (H12MDI) 2.232 Use of aliphatic isocyanates 2.3 Chain extenders Chapter 3 Introduction to Polyurethane Chemistry 3.1 Introduction 3.2 Mechanism and Catalysis of Urethane Formation 3.3 Reactions of Isocyanates with Active Hydrogen Compounds 3.31 Urea Formation 3.32 Allophanate Formation 3.33 Formation of Biurets 3.34 Formation of Uretdione (isocyanate dimer) 3.35 Formation of Carbodiimide 3.36 Formation of uretonimine 3.37 Formation of amides Chapter 4 Theoretical Concepts and Techniques in Polyurethane Science 4.1 Formation of Polyurethane Structure 4.2 Properties of Polyurethanes 4.21 Models and Calculations for Polymer Modulus 4.22 Models for Elastomer Stress Strain Properties 4.221 Factors that affect Polyurethane Stress-Strain Behavior 4.222 Calculating Foam Properties 4.23 The Polyurethane Glass Transition Temperature Chapter 5 Analytical Characterization of Polyurethanes 5.1 Analysis of reagents for making polyurethanes 5.11 Analysis of Polyols 5.111 Hydroxyl number 5.112 CPR 5.12 Analysis of Isocyanates 5.121 Analysis of pMDI composition 5.2 Instrumental Analysis of Polyurethanes 5.21 Microscopy 5.211 Optical microscopy 5.212 Scanning electron microscopy 5.213 Transmission electron microscopy (TEM) 5.214 Atomic Force Microscopy (AFM) 5.22 Infra-red Spectrometry 5.23 X-ray Analyses 5.231 Wide Angle X-ray Scattering (WAXS) 5.232 Small Angle X-ray scattering (SAXS) 5.3 Mechanical Analysis 5.31 Tensile, tear and elongation testing 5.32 Dynamic mechanical analysis 5.4 Nuclear Magnetic Spectroscopy (NMR) 5.5 Foam Screening: FoamatR Chapter 6 Polyurethane Flexible Foams: Chemistry and Fabrication 6.1 Making Polyurethane Foams 6.11 Slabstock Foams 6.12 Molded Foams 6.2 Foam Processes 6.21 Surfactancy and Catalysis 6.211 Catalysis 6.212 Surfactancy 6.3 Flexible Foam Formulation and Structure Property Relationships 6.31 Screening tests 6.32 Foam Formulation and Structure Property Relationships Chapter 7 Polyurethane Flexible Foams: Markets, Applications, Markets and Trends 7.1 Applications 7.11 Furniture 7.12 Mattresses and Bedding 7.13 Transportation 7.14 The Molded Foam Market 7.2 Trends in Molded Foam Technology and Markets Chapter 8 Polyurethane Rigid Foams: Markets, Applications, Markets and Trends 8.1 Regional Market Dynamics 8.2 Applications 8.21 Construction Foams 8.211 Polyisocyanurate Foams 8.212 Spray, Poured and Froth Foams 8.2121 Spray foam 8.2122. Froth Foams 8.2123 Pour-in-place foams 8. 22 Rigid Construction Foam Market Segments 8.23 Appliance Foams 8.3 Blowing Agents and Insulation Fundamentals 8.31 Blowing Agents 8.32 Blowing Agent Phase-out Schedule 8.4 Insulation Fundamentals 8.5 Trends in Rigid Foams Technology Chapter 9 Polyurethane Elastomers: Markets, Applications, Markets and Trends 9.1 Regional Market Dynamics 9.2 Applications 9.21 Footwear 9.211 Trends in Footwear Applications 9.22 Non-footwear Elastomer Applications and Methods of Manufacture 9.221 Cast Elastomers 9.222 Thermoplastic polyurethanes 9.223 RIM Elastomers 9.224 Polyurethane Elastomer Fibers 9.3 Trends in Polyurethane Elastomers Chapter 10 Polyurethane Adhesives and Coatings: Manufacture, Applications, Markets and Trends 10.1 Adhesives and Coatings Industries: Similarities and Differences 10.2 Adhesives 10.2.1 Adhesive Formulations 10.2.1.1 1-Part Adhesives 10.2.1.2 Hot-melt adhesives 10.2.1.2.1 Non-reactive hot-melt adhesive 10.2.1.2.2 Reactive hot-melt adhesive 10.2.1.3 Water borne polyurethane adhesives 10.3 Trends in Polyurethane Adhesives 10.3 Coatings 10.3.1 Polyurethane coating formulations 10.3.1.1 2–part solvent borne coating 10.3.1.2 Water-borne coatings 10.3.1.3 Water-borne hybrids 10.3.1.4 UV cured water-borne dispersions for coatings 10.3.1.5 Polyurethane Powder Coatings 10.3.2 Trends in Polyurethane Coatings Chapter 11 Special Topics: Medical Uses of Polyurethane 11.1 Markets and Participants 11.2 Technology 11.2.1 Catheters 11.2.2 Wound dressings 11.2.3 Bioabsorbable polyurethanes. 11.2.4 Hydrogels 11.2.5 Gloves and Condoms 11.3 Future Trends Chapter 12 Special Topic: Non-isocyanate Routes to Polyurethanes 12.1 Governmental Regulation of Isocyanates 12.2 Non-isocyanate routes to polyurethanes 12.2.1 Reactions of polycyclic carbonates with polyamines 12.2.2 Direct transformations of amines to urethanes 12.2.3 Reactions of polycarbamates 12.2.4 Conversion of hydroxamic acids to polyurethane 12.2.5 Conversion of hydroxylamines to polyurethanes Chapter 13 Polyurethane hybrid polymers 13.1 Introduction 13.2 Polyurethane-acrylate hybrids 13.3 Polyurethane-epoxy hybrids 13.4 Polyurethane-silicone hybrids 13.4.1 Silicone modified prepolymers 13.4.2 Urethane/silicone hybrids produced using diblock compatabilizers 13.4.3 Hybrids employing covalent and hydrogen bonded crosslinks 13.4.4 Polyurethane hybridization with polyhedral oligomeric silsesquixanes (POSS) 13.5 Polyurethane- polyolefin hybrids 13.6 Hybridization via transurethanification Chapter 14. Recycling of polyurethanes 14.1 Introduction 14.2 Glycolysis/Hydrolysis/Aminolysis/Acidolysis 14.3 Pyrolysis 14.4 Recycle for fuel value 14.5 Regrinding and incorporation Index

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