Chemistry Books

Book SynopsisExamines the important topic of fuel cell science by way of combining membrane design, chemical degradation mechanisms, and stabilization strategies This book describes the mechanism of membrane degradation and stabilization, as well as the search for stable membranes that can be used in alkaline fuel cells. Arranged in ten chapters, the book presents detailed studies that can help readers understand the attack and degradation mechanisms of polymer membranes and mitigation strategies. Coverage starts from fundamentals and moves to different fuel cell membrane types and methods to profile and analyze them. The Chemistry of Membranes Used in Fuel Cells: Degradation and Stabilization features chapters on: Fuel Cell Fundamentals: The Evolution of Fuel Cells and their Components; Degradation Mechanism of Perfluorinated Membranes; Ranking the Stability of Perfluorinated Membranes Used in Fuel Cells to Attack by Hydroxyl Radicals; Stabilization Mechanism of PerfTable of Contents Preface xiii About the Editor xvii List of Contributors xix 1 The Evolution of Fuel Cells and Their Components 1Thomas A. Zawodzinski, Zhijiang Tang, and Nelly Cantillo 1.1 Overview: A Personal Perspective of Recent Developments 1 1.2 Basics of Fuel Cell Operation 3 1.3 Types of Fuel Cells 5 1.3.1 Phosphoric Acid Fuel Cell 5 1.3.2 Molten Carbonate Fuel Cell and Solid Oxide Fuel Cell 5 1.3.3 Proton Exchange Membranes Fuel Cell 6 1.3.4 Alkaline Fuel Cell 6 1.3.5 Solid Acid Fuel Cell 8 1.4 Low Temperature Fuel Cells: Components 8 1.4.1 Membranes in PEM Systems 9 1.4.2 Electrocatalysts in PEM Systems 11 1.4.2.1 Catalyst Layer Structure in PEM Systems 13 1.5 Summary 16 Acknowledgments 16 References 16 2 Degradation Mechanism of Perfluorinated Membranes 19Marek Danilczuk, Shulamith Schlick, and Frank D. Coms 2.1 Introduction 19 2.2 Fluoride Release Rate 22 2.3 Nuclear Magnetic Resonance 26 2.4 Fourier Transform Infrared Spectroscopy 30 2.5 Electron Spin Resonance 37 2.5.1 Direct ESR Radical Detection in Perfluorinated Membranes 37 2.5.2 Spin Trapping ESR 40 2.5.3 In Situ ESR Fuel Cell 41 2.5.4 Chemical Reactions and Crossover Processes in a Fuel Cell 43 2.5.5 Effect of Membrane Thickness 46 2.6 Conclusions 49 Acknowledgments 51 References 51 3 Ranking the Stability of Perfluorinated Membranes to Attack by Hydroxyl Radicals 55Marek Danilczuk and Shulamith Schlick 3.1 Introduction 55 3.2 The Chemical Stability of Perfluorinated Ionomers 57 3.3 Electron Spin Resonance Studies of PFSAs Exposed to Hydroxyl Radicals 61 3.3.1 Spin©\Trapping ESR 61 3.3.2 Competitive Kinetics: Perfluorinated Ionomers as Competitors for HO• Radicals 62 3.3.3 Ce(III) as Competitor 68 3.4 Conclusions 70 Acknowledgments 72 References 72 4 Stabilization of Perfluorinated Membranes Using Ce3+ and Mn2+ Redox Scavengers: Mechanisms and Applications 75Frank D. Coms, Shulamith Schlick, and Marek Danilczuk 4.1 Introduction 75 4.2 Oxidant Chemistry 76 4.3 Degradation Mechanisms of PFSA 79 4.4 Mitigation of Chemical Degradation by Redox Quenchers 81 4.4.1 Mitigation Mechanisms of Ce3+ and Mn2+ 82 4.4.1.1 Cerium Mitigation and Chain Scission Processes 89 4.4.2 ESR Spin Trapping Studies 89 4.4.3 Oxidative Stress and Ce3+ Mitigation 91 4.4.3.1 MEA Design 96 4.4.4 Cerium Distribution and Migration 97 4.4.5 CeO2 Mitigation 100 4.4.6 Synergistic Mitigation Strategies 101 4.5 Conclusions 103 Acknowledgments 104 References 104 5 Hydrocarbon Proton Exchange Membranes 107Lorenz Gubler and Willem H. Koppenol 5.1 Introduction 107 5.2 Radical Intermediates in Fuel Cells 108 5.3 Hydrocarbon Membranes 114 5.4 Chemical Stabilization by Antioxidants 119 5.4.1 Regenerative Radical Scavenging in PFSA Membranes 119 5.4.2 Hydrocarbon Membranes Doped with Organic Antioxidants 121 5.4.3 Polymer©\Bound Antioxidants 122 5.5 The Challenge of Regeneration 125 5.5.1 Learnings from Mother Nature 125 5.5.2 Approaches for the Fuel Cell 126 5.6 Concluding Remarks 133 References 134 6 Stabilization of Perfluorinated Membranes Using Nanoparticle Additives 139Guanxiong Wang, Javier Parrondo, and Vijay Ramani 6.1 Nanoparticle Additives as a Stabilizer for Perfluorinated Membranes 139 6.2 CeO2 and Modified CeO2 Nanoparticles as FRSs 141 6.3 Platinum©\Supported Ceria as FRS 152 6.4 Manganese Oxide and Manganese Oxide Composite as FRSs 154 6.5 Metal Nanoparticles as FRSs 160 6.6 Experimental Techniques for the Detection of Free Radicals and Measurement of the Membrane Degradation Rates 163 6.6.1 Fluoride Emission Rate 163 6.6.2 Fluorescence Spectroscopy as a Tool for the Detection and Quantification of Free Radical Degradation in PEMs 163 6.7 Conclusions 164 Acknowledgments 165 References 166 7 Degradation Mechanisms in Aquivion® Perfluorinated Membranes and Stabilization Strategies 171Vincenzo Arcella, Luca Merlo, and Alessandro Ghielmi 7.1 Introduction 171 7.2 Properties of SSC Ionomers 173 7.3 Properties of Aquivion® Ionomers 173 7.4 The Need for High Stability of PFSA Membranes 177 7.5 PFSA Membrane Degradation in Fuel Cell 177 7.6 Generation of Radical Species in the Fuel Cell Environment 178 7.7 Degradation Studies on Aquivion® Membranes 181 7.8 Stabilization Procedures on Aquivion® Membranes 185 7.9 Conclusions 190 References 190 8 Anion Exchange Membranes: Stability and Synthetic Approach 195Dongwon Shin, Chulsung Bae, and Yu Seung Kim 8.1 Introduction 195 8.2 Chemical Degradation Mechanisms 196 8.2.1 Degradation of Cationic Groups 196 8.2.1.1 Alkyl Ammoniums 196 8.2.1.2 N©\Based Cyclic Cations 199 8.2.1.3 Other Cationic Groups 202 8.2.2 Degradation of Polymer Backbones 204 8.2.2.1 Polyolefins 205 8.2.2.2 Polyaromatics 205 8.2.2.3 Polyacrylates 207 8.2.2.4 Polybenzimidazoles 208 8.2.2.5 Perfluorinated Polymers 208 8.3 Synthetic Approaches 210 8.3.1 Polyolefins 210 8.3.1.1 Polyethylene and Polypropylene 211 8.3.1.2 Polystyrene 212 8.3.1.3 Others 215 8.3.2 Polyaromatics 217 8.3.2.1 Cationic©\Group©\Tethered Poly(arylene)s 217 8.3.2.2 Poly(arylene)©\Containing Cationic Polymer Backbones 219 8.3.2.3 Multication©\Tethered Poly(arylene)s 219 8.3.3 Other Polymers 221 8.3.3.1 Polybenzimidazoles 221 8.3.3.2 Polynorbornenes 223 8.3.3.3 Perfluorinated Polymers 224 8.4 Conclusions 225 Acknowledgments 225 References 226 9 Profiling of Membrane Degradation Processes in a Fuel Cell by 2D Spectral–Spatial FTIR 229Shulamith Schlick and Marek Danilczuk 9.1 Introduction 229 9.2 Optical Images of Nafion® Cross Sections 231 9.3 Line Scan Maps of the Membranes 232 9.4 FTIR Spectra of Nafion® MEAs 232 9.5 Abstraction of a Fluorine Atom on a Carbon in the Nafion® Main Chain by H• 235 9.6 Conclusions 237 Acknowledgments 237 References 238 10 Quantum Mechanical Calculations of the Degradation in Perfluorinated Membranes Used in Fuel Cells 241Ted H. Yu, Boris V. Merinov, and William A. Goddard III 10.1 Introduction 241 10.2 Computational Methods 244 10.3 Results and Discussion 244 10.3.1 Generation of Radicals 244 10.3.1.1 Hydroxyl Radicals 244 10.3.1.2 Hydrogen Radicals, H• 247 10.3.1.3 Hydroperoxyl Radicals, HOO• 249 10.3.2 Concentrated HO• Conditions versus Fuel Cell Conditions 249 10.3.3 Degradation under Concentrated HO• Conditions 249 10.3.3.1 R©¤CF2H Polymer Main Chain Defect Initiation 249 10.3.3.2 R©¤CF¨TCF2 Polymer Main Chain Defect Initiation 250 10.3.3.3 R©¤COOH Polymer Main Chain Defect Initiation 250 10.3.3.4 Propagating Polymer Main Chain Degradation 250 10.3.3.5 Side©\Chain Degradation 252 10.3.4 Degradation under Fuel Cell Conditions with Fuel Crossover 256 10.3.4.1 Polymer Main Chain End©\Group Initiation 256 10.3.4.2 Propagating Polymer Main Chain Degradation 256 10.3.4.3 Side©\Chain Degradation 257 10.3.5 Degradation under Fuel Cell Conditions without Crossover 259 10.3.5.1 Degradation at the Cathode without H2 Crossover 259 10.3.5.2 Degradation at the Anode without O2 Crossover 261 10.4 Summary 265 10.4.1 Concentrated HO• Conditions 265 10.4.2 Fuel Cell Conditions 265 10.4.2.1 Fuel Cell Conditions without Crossover at Cathode 266 10.4.2.2 Fuel Cell Conditions without Crossover at Anode 266 Acknowledgments 267 References 267 Index 271

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Book SynopsisThe latest volume in this series for organic chemists in 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.Table of Contents1. Olefin Ring-Closing Metathesis Larry Yet 1 Abbreviations 92 Chart 1. Catalysts Used in Tables 95 Chart 2. Ligands Used in Tables 107 Table 1. Synthesis of Carbocycles 108 Table 2A. Synthesis of Cyclic Amides 374 Table 2B. Synthesis of Cyclic Ethers 569 Table 2C. Synthesis of Phosphorous-Containing Heterocycles 764 Table 2D. Synthesis of Silicon-Containing Heterocycles 788 Table 2E. Synthesis of Sulfur-Containing Heterocycles 818 Table 2F. Synthesis of Sulfonamide-Containing Heterocycles 828 Table 2G. Synthesis of Boron-Containing Derivatives 837 Table 2H. Synthesis of Unsaturated Lactams 838 Table 2I. Synthesis of Cyclic Peptides 916 Table 2J. Synthesis of Unsaturated Lactones 953 Table 2K. Synthesis of Heterocycles Containing Multiple Heteroatoms 1118 Table 3. Synthesis of Supramolecular Compounds 1180 Table 4. Tandem Metathesis Reactions 1204 References 1248 Cumulative Chapter Titles by Volume 1305 Author Index, Volumes 1–89 1321 Chapter and Topic Index, Volumes 1–89 1327

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Book SynopsisCovers chemistry, physics, engineering,and therapeutic aspects of packaginguniversal to pharmaceutical, medical,and food applicationsThis book covers the chemistry, physics, materials science, engineering, and therapeutic aspects of many different types of packaging materials, emphasizing throughout the applicability of various aspects of packaging science and technology. It also provides a simultaneous discussion of interrelated fields, and addresses the universal issues within these fields' application areas. Intended as a technical reference and as a study aid, it is relevant to anyone who studies or uses packaging or packaging materials. Packaging Technology and Engineering: Pharmaceutical, Medical and Food Applications begins with an overview of the history of the topic. It then offers chapters on the methods of obtaining raw materials, the chemistry of polymeric and non-polymeric packaging materials, physico-chemical quality parameters, and theTable of ContentsList of Figures xi List of Tables xv About the Author xvii Preface xix Section I Scientific and Technological Background to Materials 1 1 Historical Perspective and Evolution 3 1.1 Introduction 3 1.1.1 The Chronology of Packaging Development 3 1.1.2 The Origins of Commercial Packaging 6 1.1.3 Closures, Films, and Plastics 6 1.1.4 Major Types of Packaging 7 1.2 Survey of Packaging Use 9 1.2.1 Primary, Secondary, and Tertiary Packaging 13 1.2.2 Types of Packaging: An Overview and the Basics 14 1.2.2.1 The Meaning of Symbols on Packaging 16 1.2.2.2 Glass Packaging 17 1.2.2.3 Metal Packaging 18 1.2.2.4 Paper and Cardboard Packaging 19 1.2.2.5 Wooden Packaging 20 1.2.2.6 Plastic Packaging 20 1.2.2.7 Composite Packaging 22 1.2.2.8 Novel Materials: Bioplastics and Oxo-Degradable Polymers 22 References 24 2 Chemical Engineering of Packaging Materials 27 2.1 Introduction 27 2.2 Building Blocks, Extraction, and Raw Materials 30 2.3 Industrial Processes, Wood-Pulping, Processing, and Smelting 33 2.3.1 Refining Ores 33 2.3.2 Forming and Sheet-Making 35 2.4 Making Glass 36 References 41 3 Material Science and Chemistry 43 3.1 Introduction 44 3.2 Glasses 44 3.3 Metallic Materials 48 3.3.1 Aluminium, Tinplate, Steel, and Brass 49 3.4 Polymeric Materials 56 3.4.1 Polyolefins, Cellulosics, and Polyisoprenes 64 3.4.2 Thermosets and Thermoforming Plastics 68 3.4.3 Laminates 74 3.4.4 Expanded Materials 79 3.4.5 Paper and Paperboard 80 3.5 Colorants, Opacifiers, and Colouring 84 3.5.1 Coal Tar Dyes, Lakes, and Pigments 90 3.6 Plasticisers and Other Additives 92 3.6.1 Anti-Oxidants and Preservatives 98 3.6.2 Oxidations by Numerous Processes 98 3.7 Barriers, Barrier Properties, and Product Modification 105 3.7.1 Resistant Coatings 105 3.7.2 Ageing and Degradation 109 3.7.3 Chemical Breach and Leaching 112 3.7.4 Water and Gas Penetration 114 3.8 Estimating the Shelf Life of Packaging 126 3.9 Chemical Testing 134 3.10 Contemporary Issues and Controversies with Modern Packaging Materials 138 References 151 4 The Physics of Packaging Materials 161 4.1 Introduction 161 4.2 Characterisation of Packaging Substrates 165 4.2.1 Surface and Structural Morphology 167 4.2.1.1 Printing 175 4.2.2 Wettability, Polymorphism, Crystallinity and Crystallites, Melting, and Phase Behaviour 179 4.2.3 Toughness, Tensile Strength, and Young’s Modulus 185 4.2.4 Brittleness, Hardness, and the Mohs Scale 187 4.2.5 Puncture Resistance and Slip 189 4.3 Test Methods 190 References 193 5 Engineering of the Product: Design, Formation, and Machining 197 5.1 Introduction 197 5.2 Fourdrinier Processing and Paper-Making 199 5.3 Sheeting, Injection Moulding, Thermoforming, Welding, Extrusion, Plasma Treatment, Annealing, and Curing 214 5.3.1 Bodies and Closures 221 5.3.2 Seals, Bungs, and the Septum 225 5.4 Classification of Moulded Packaging Forms 226 5.4.1 Bottles 229 5.4.2 Dosators 230 5.4.3 Pouches, Trays, Wallets, and Cartons 230 References 232 Section II Application and Processing 239 6 Packaging for Various Applications 241 6.1 Introduction 242 6.2 Hermetically Sealed Containers and Developments 248 6.2.1 The Tin-Plated Steel Can 251 6.2.1.1 Cans 254 6.2.2 Napoleon and Nicolas Appert: ‘The Father of Canning’ 256 6.3 Modern Sterilisation and Pasteurisation Procedures and the Effects of Chemistry, Temperature, Pressure, and Irradiation on the Product and Pack 264 6.3.1 Retorting and High-Pressure Steam 283 6.3.2 Radappertisation, Radurisation, and Radicisation 289 6.3.3 Ethylene Oxide 294 6.3.4 Hyperbaric Treatment 295 6.3.5 Sterilised Pouches and the Tetra Pak® 297 6.4 Metered Therapeutic Dose Devices 299 6.5 Heat-Sealed Goods and Modified Atmosphere 300 6.6 Childproof and Easy-Open Packaging 308 6.7 Multi-Dose Pharmaceutical Bottles 310 References 310 7 Food, Pharmaceutical, and Medical Packaging 317 7.1 Introduction 317 7.2 Food Packaging 320 7.2.1 Restrictions and Key Criteria Relevant to Foods and Beverages 327 7.3 Pharmaceutical Packaging 332 7.3.1 Restrictions and Key Criteria Relevant to Therapeutics 340 7.4 Medical Device Packaging 347 7.4.1 Restrictions and Key Criteria Relevant to Devices 354 References 359 Section III Quality, Integrity, and Traceability 367 8 Suppliers and Manufacturers of Packaging 369 8.1 Introduction 370 8.2 Environmental Concerns and Sustainability 370 8.3 Recycling and After-Use 373 8.4 Tracing, Anti-Counterfeiting Technology, and Anti-Fraud Devices 388 8.4.1 Chemical Watermarks 391 8.4.2 Radiofrequency Identification and Tracking 393 8.4.3 Barcoding, Overt, and Covert Identifiers 394 8.4.4 History and Environmental Logging 399 8.4.4.1 Intelligent Packaging 404 8.5 Accelerated Testing 417 8.6 The Distribution Chain and Transport Logistics 431 8.7 Packaging Regulations and Guidelines 436 8.7.1 Labelling and Information 438 8.8 Safety, Health, and Practicality 442 8.8.1 New Trends and Opportunities 444 8.8.2 The Future 456 References 464 Section IV Revision and Information 475 Problems: Questions, Calculations, Estimates, and Dilemmas 477 Multiple Choice Questions (MCQs) 477 Short Answer Questions (SAQs);Worth 4 Marks 486 Very Short Answer Questions (VSAQs);Worth 2 Marks 487 Calculation Questions;Worth 20–30 Marks 488 Calculation Questions;Worth 5 Marks 490 Answers to Problems 490 References 497 Appendices, Glossary of Terms, and Abbreviations 499 Glossary of Terms and Acronyms 499 Periodic Table of Chemical Elements and Fundamental Chemistry 501 Chemical Symbols and Abbreviations 504 Scientific and Engineering Symbols 505 Unit Prefixes 508 Index 509

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Book SynopsisFrom basic tenets to the latest advances, this is the most comprehensive and up-to-date coverage of the process of biodesulfurization in the petroleum refining industry. Petroleum refining and process engineering is constantly changing. No new refineries are being built, but companies all over the world are still expanding or re-purposing huge percentages of their refineries every year, year after year. Rather than building entirely new plants, companies are spending billions of dollars in the research and development of new processes that can save time and money by being more efficient and environmentally safer. Biodesulfurization is one of those processes, and nowhere else it is covered more thoroughly or with more up-to-date research of the new advances than in this new volume from Wiley-Scrivener. Besides the obvious benefits to biodesulfurization, there are new regulations in place within the industry with which companies will, over the next decade or longeTable of ContentsPreface xiii 1 Background 1 List of Abbreviations and Nomenclature 1 1.1 Petroleum 2 1.2 Petroleum Composition 7 1.2.1 Petroleum Hydrocarbons 8 1.2.2 Petroleum Non-Hydrocarbons 12 1.2.2.1 Problems Generated by Asphaltenes 14 1.3 Sulfur Compounds 15 1.4 Sulfur in Petroleum Major Refinery Products 20 1.4.1 Gasoline 20 1.4.2 Kerosene 23 1.4.3 Jet Fuel 23 1.4.4 Diesel Fuel 23 1.4.5 Heating/Fuel Oils 24 1.4.6 Bunker Oil 24 1.5 Sulfur Problem 25 1.6 Legislative Regulations of Sulfur Levels in Fuels 29 References 32 2 Desulfurization Technologies 39 List of Abbreviations and Nomenclature 39 2.1 Introduction 43 2.2 Hydrodesulfurization 47 2.3 Oxidative Desulfurization 71 2.4 Selective Adsorption 108 2.5 Biocatalytic Desulfurization 127 2.5.1 Anaerobic Process 127 2.5.2 Aerobic Process 128 References 130 3 Biodesulfurization of Natural Gas 159 List of Abbreviations and Nomenclature 159 3.1 Introduction 161 3.2 Natural Gas Processing 169 3.3 Desulfurization Processes 183 3.3.1 Scavengers 183 3.3.2 Adsorption 187 3.3.3 Liquid Redox Processes 193 3.3.4 Claus Plants 195 3.3.4.1 Classic Claus Plant 196 3.3.4.2 Split-Flow Claus Plant 198 3.3.4.3 Oxygen Enrichment Claus Plant 199 3.3.4.4 Claus Plant Tail Gas 199 3.3.5 Absorption/Desorption Process 201 3.3.6 Biodesulfurization 203 3.3.6.1 Photoautotrophic Bacteria 206 3.3.6.2 Heterotrophic Bacteria 211 3.3.6.3 Chemotrophic Bacteria 212 3.3.7 Other Approaches Concerning the Biodesulfurization of Natural Gas 231 References 242 4 Microbial Denitrogenation of Petroleum and its Fractions 263 List of Abbreviations and Nomenclature 263 4.1 Introduction 265 4.2 Denitrogenation of Petroleum and its Fractions 269 4.2.1 Hydrodenitrogenation 269 4.2.2 Adsorptive Denitrogenation 272 4.2.3 Extractive and Catalytic Oxidative Denitrogenation 278 4.3 Microbial Attack of Nitrogen Polyaromatic Heterocyclic Compounds (NPAHs) 279 4.4 Enhancing Biodegradation of NPAHs by Magnetic Nanoparticles 295 4.5 Challenges and Opportunities for BDN in Petroleum Industries 300 References 307 5 Bioadsorptive Desulfurization of Liquid Fuels 327 List of Abbreviations and Nomenclature 327 5.1 Introduction 329 5.2 ADS by Agroindustrial-Wastes Activated Carbon 332 5.3 ADS on Modified Activated Carbon 342 5.4 ADS on Carbon Aerogels 352 5.5 ADS on Activated Carbon Fibers 353 5.6 ADS on Natural Clay and Zeolites 355 5.7 ADS on New Adsorbents Prepared from Different Biowastes 360 References 365 6 Microbial Attack of Organosulfur Compounds 375 List of Abbreviations and Nomenclature 375 6.1 Introduction 377 6.2 Biodegradation of Sulfur Compounds in the Environment 380 6.3 Microbial Attack on Non–Heterocyclic Sulfur–Containing Hydrocarbons 383 6.3.1 Alkyl and Aryl Sulfides 383 6.3.2 Non – Aromatic Cyclic Sulfur – Containing Hydrocarbons 386 6.4 Microbial Attack of Heterocyclic Sulfur – Hydrocarbons 388 6.4.1 Thiophenes 389 6.4.2 Benzothiophenes and Alkyl-Substituted Benzothiophenes 390 6.4.3 Naphthothiophenes 402 6.4.4 Dibenzothiophene and Alkyl-Substituted Dibenzothiophenes 406 6.4.4.1 Aerobic Biodesulfurization of DBT 406 6.4.4.2 Aerobic Biodesulfurization of Alkylated DBT 419 6.4.4.3 Anaerobic Biodesulfurization of DBT 421 6.5 Recent Elucidated DBT-BDS Pathways 422 References 439 7 Enzymology and Genetics of Biodesulfurization Process 459 List of Abbreviations and Nomenclature 459 7.1 Introduction 461 7.2 Genetics of PASHs BDS Pathway 462 7.2.1 Anaerobic BDS Pathway 462 7.2.2 Aerobic BDS Pathway 463 7.2.2.1 Kodama Pathway 463 7.2.2.2 Complete Degradation Pathway 464 7.2.2.3 4S-Pathway 466 7.3 The Desulfurization dsz Genes 468 7.4 Enzymes Involved in Specific Desulfurization of Thiophenic Compounds 472 7.4.1 The Dsz Enzymes 472 7.4.1.1 DszC Enzyme (DBT-Monooxygenase) 474 7.4.1.2 DszA Enzyme (DBTO2-Monooxygenase) 476 7.4.1.3 DszB Enzyme (HBPS- Desulfinase) 477 7.4.1.4 DszD Enzyme (Flavin-Oxidoreductase Enzyme) 478 7.5 Repression of dsz Genes 480 7.6 Recombinant Biocatalysts for BDS 484 References 506 8 Factors Affecting the Biodesulfurization Process 521 List of Abbreviations and Nomenclature 521 8.1 Introduction 524 8.2 Effect of Incubation Period 525 8.3 Effect of Temperature and pH 527 8.4 Effect of Dissolved Oxygen Concentration 530 8.5 Effect of Agitation Speed 532 8.6 Effect of Initial Biomass Concentration 536 8.7 Effect of Biocatalyst Age 538 8.8 Effect of Mass Transfer 541 8.9 Effect of Surfactant 541 8.10 Effect of Initial Sulfur Concentration 544 8.11 Effect of Type of S-Compounds 546 8.12 Effect of Organic Solvent and Oil to Water Phase Ratio 553 8.13 Effect of Medium Composition 560 8.14 Effect of Growing and Resting Cells 579 8.15 Inhibitory Effect of Byproducts 580 8.16 Statistical Optimization 590 References 616 9 Kinetics of Batch Biodesulfurization Process 639 List of Abbreviations and Nomenclature 639 9.1 Introduction 642 9.2 General Background 643 9.2.1 Phases of Microbial Growth 643 9.2.1.1 The Lag Phase 644 9.2.1.2 The Log Phase 644 9.2.1.3 The Stationary Phase 645 9.2.1.4 The Decline Phase 645 9.2.2 Modeling of Population Growth as a Function of Incubation Time 645 9.3 Microbial Growth Kinetics 645 9.3.1 Exponential Growth Model 645 9.3.2 Logistic Growth Model 648 9.4 Some of the Classical Kinetic Models Applied in BDS-Studies 650 9.5 Factors Affecting the Rate of Microbial Growth 651 9.5.1 Effect of Temperature 651 9.5.2 Effect of pH 654 9.5.3 Effect of Oxygen 654 9.6 Enzyme Kinetics 654 9.6.1 Basic Enzyme Reactions 656 9.6.2 Factors Affecting the Enzyme Activity 657 9.6.2.1 Enzyme Concentration 657 9.6.2.2 Substrate Concentration 658 9.6.2.3 Effect of Inhibitors on Enzyme Activity 659 9.6.2.4 Effect of Temperature 660 9.6.2.5 Effect of pH 661 9.7 Michaelis-Menten Equation 662 9.7.1 Direct Integration Procedure 664 9.7.2 Lineweaver-Burk Plot Method 666 9.7.3 Eadie-Hofstee 666 9.8 Kinetics of a Multi-Substrates System 667 9.9 Traditional 4S-Pathway 668 9.9.1 Formulation of a Kinetic Model for DBT Desulfurization According to 4S-Pathway 669 9.10 Different Kinetic Studies on the Parameters Affecting the BDS Process 673 9.11 Evaluation of the Tested Biocatalysts 734 9.11.1 Kinetics of the Overall Biodesulfurization Reaction 735 9.11.2 Maximum Percentage of Desulfurization (XMAXBDS %) 735 9.11.3 Time for Maximum Biodesulfurization tBDSmax (min) 735 9.11.4 Initial DBT Removal Rate RODBT (μmol/L/min) 736 9.11.5 Maximum Productivity PMAXBDS (%/min) 736 9.11.6 Specific Conversion Rate (SE %L/g/min) 736 References 737 10 Enhancement of BDS Efficiency 753 List of Abbreviations and Nomenclature 753 10.1 Introduction 756 10.2 Isolation of Selective Biodesulfurizing Microorganisms with Broad Versatility on Different S-Compounds 757 10.2.1 Anaerobic Biodesulfurizing Microorganisms 758 10.2.2 Bacteria Capable of Aerobic Selective DBT-BDS 759 10.2.3 Microorganisms with Selective BDS of Benzothiophene and Dibenzothiophene 769 10.2.4 Microorganisms with Methoxylation Pathway 770 10.2.5 Microorganisms with High Tolerance for Oil/Water Phase Ratio 771 10.2.6 Thermotolerant Microorganisms with Selective BDS Capability 772 10.2.7 BDS Using Yeast and Fungi 776 10.3 Genetics and its Role in Improvement of BDS Process 778 10.4 Overcoming the Repression Effects of Byproducts 789 10.5 Enzymatic Oxidation of Organosulfur Compounds 793 10.6 Enhancement of Biodesulfurization via Immobilization 795 10.6.1 Types of Immobilization 800 10.6.1.1 Adsorption 800 10.6.1.2 Covalent Binding 809 10.6.1.3 Encapsulation 809 10.6.1.4 Entrapment 810 10.7 Application of Nano-Technology in BDS Process 826 10.8 Role of Analytical Techniques in BDS 849 10.8.1 Gas Chromatography 850 10.8.1.1 Determination of Sulfur Compounds by GC 850 10.8.1.2 Assessment of Biodegradation 851 10.8.2 Presumptive Screening for Desulfurization and Identification of BDS Pathway 852 10.8.2.1 Gibb’s Assay 853 10.8.2.2 Phenol Assay 853 10.8.3 More Advanced Screening for Desulfurization and Identification of BDS Pathway 854 10.8.3.1 High Performance Liquid Chromatography 854 10.8.3.2 X-ray Sulfur Meter and other Techniques for Determining Total Sulfur Content 855 References 857 11 Biodesulfurization of Real Oil Feed 895 List of Abbreviations and Nomenclature 895 11.1 Introduction 897 11.2 Biodesulfurization of Crude Oil 903 11.3 Biodesulfurization of Different Oil Distillates 909 11.4 BDS of Crude Oil and its Distillates by Thermophilic Microorganisms 921 11.5 Application of Yeast and Fungi in BDS of Real Oil Feed 923 11.6 Biocatalytic Oxidation 924 11.7 Anaerobic BDS of Real Oil Feed 926 11.8 Deep Desulfurization of Fuel Streams by Integrating Microbial with Non-Microbial Methods 928 11.8.1 BDS as a Complement to HDS 928 11.8.2 BDS as a Complementary to ADS 939 11.8.3 Coupling Non-Hydrodesulfurization with BDS 945 11.8.4 Three Step BDS-ODS-RADS 945 11.9 BDS of other Petroleum Products 946 References 952 12 Challenges and Opportunities 973 List of Abbreviations and Nomenclature 973 12.1 Introduction 975 12.2 New Strains with Broad Versatility 983 12.3 New Strains with Higher Hydrocarbon Tolerance 990 12.4 Overcoming the Feedback Inhibition of the End-Products 994 12.5 Biodesulfurization under Thermophilic Conditions 995 12.6 Anaerobic Biodesulfurization 997 12.7 Biocatalytic Oxidation 1000 12.8 Perspectives for Enhancing the Rate of BDS 1001 12.8.1 Application of Genetics in BDS 1002 12.8.2 Implementation of Resting Cells 1009 12.8.3 Microbial Consortium and BDS 1011 12.8.4 Surfactants and BDS 1014 12.8.5 Application of Nanotechnology in the BDS Process 1017 12.9 Production of Valuable Products 1028 12.10 Storage of Fuel and Sulfur 1031 12.11 Process Engineering Research 1033 12.12 BDS Process of Real Oil Feed 1053 12.13 BDS as a Complementary Technology 1061 12.14 Future Perspectives 1063 12.15 Techno-Economic Studies 1066 12.16 Economic Feasibility 1068 12.17 Fields of Developments 1077 12.18 BDS Now and Then 1080 12.19 Conclusion 1083 References 1084 Glossary 1119 Index 1155

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Book SynopsisThis unique multidisciplinary 8-volume set focuses on the emerging issues concerning synthesis, characterization, design, manufacturing and various other aspects of composite materials from renewable materials and provides a shared platform for both researcher and industry. The Handbook of Composites from Renewable Materials comprises a set of 8 individual volumes that brings an interdisciplinary perspective to accomplish a more detailed understanding of the interplay between the synthesis, structure, characterization, processing, applications and performance of these advanced materials. The Handbook comprises 169 chapters from world renowned experts covering a multitude of natural polymers/ reinforcement/ fillers and biodegradable materials. Volume 2 is solely focused on the Design and Manufacturing of renewable materials. Some of the important topics include but not limited to: Design and manufacturing of high performance green composites;Table of ContentsPreface xix 1 Design and Manufacturing of High-Performance Green Composites Based on Renewable Materials 1Katharina Resch, Andrea Klein, Silvia Lloret Pertegás and Ralf Schledjewski 1.1 Introduction 1 1.2 Bio-Based Epoxy Matrix – State of the Art 3 1.3 Curing of Bio-Based Epoxy Resins – an Ecological Approach 10 1.4 Natural Fibers 12 1.4.1 Mechanical Performance of Bast Fibers 12 1.5 Processing Routes 14 1.6 Applications and Requirements 17 1.7 Concluding Remarks 18 Acknowledgement 18 References 18 2 Manufacturing of High Performance Biomass-Based Polyesters by Rheological Approach 25Masayuki Yamaguchi 2.1 Introduction 25 2.2 Linear Viscoelastic Properties 26 2.3 Enhancement of Crystallization Rate 32 2.4 Rheological Modification for Marked Melt Elasticity 38 2.5 Conclusion 44 Acknowledgments 44 References 45 3 Design of Fibrous Composite Materials for Saving Energy 49Zuzana Murèinková, Vladimír Kompiš, Pavel Adamèík, Slavomír Dobroviè and Jaromír Murèinko 3.1 Introduction 49 3.2 Microtermomechanical Fiber Composites Behavior 54 3.3 Industrial Applications — Case Studies 74 3.4 Conclusions 87 References 88 4 Design and Manufacturing of Bio-Based Sandwich Structures 93Maya Jacob John 4.1 Introduction 93 4.2 Bio-Based Core Materials 95 4.3 Manufacture of Sandwich Panels 99 4.4 Recent Studies on Bio-Based Sandwich Panels 101 4.5 Applications of Bio-Based Sandwich Panels 107 4.6 Conclusions 108 References 108 Contents vii 5 Design and Manufacture of Biodegradable Products from Renewable Resources 111Mahmoud M. Farag 5.1 Introduction 111 5.2 Materials and Processes for Biodegradable Composites 112 5.3 Performance of Biodegradable Composites Under Service Conditions 116 5.4 Case Studies 118 References 129 6 Manufacturing and Characterization of Quicklime (CaO) Filled ZA-27 Metal Alloy Composites for Single-Row Deep Groove Ball Bearing 133Amar Patnaik, I.K.Bhat and Swati Gangwar 6.1 Introduction 133 6.2 Experimental Details 134 6.3 Result and Discussions 144 6.4 Conclusions 154 Acknowledgement 155 References 155 7 Manufacturing of Composites From Chicken Feathers and Polyvinyl Chloride (PVC) 159Diana Samantha Villarreal Lucio, José Luis Rivera-Armenta, Valeria Rivas-Orta, Nancy Patricia Díaz-Zavala, Ulises Páramo-García, Nohra Violeta Gallardo Rivas and María Yolanda Chávez Cinco 7.1 Introduction 159 7.2 Experimental 164 7.3 Results and Discussion 165 7.4 Conclusions 172 Acknowledgments 172 References 172 8 Production of Porous Carbons from Resorcinol-Formaldehyde Gels: Applications 175Luciano Tamborini, Paula Militello, Cesar Barbero and Diego Acevedo 8.1 Introduction 175 8.2 Synthesis of Aerogels 178 8.3 Polymeric Gels From Renewable Raw Materials 180 8.4 Carbonization of Polymeric Resins 182 8.5 Drying the Polymeric Gel 182 8.6 Gel Stabilization 185 8.7 Pyrolysis of R-F Resins 188 8.8 Applications of the Gels 188 8.9 Conclusions 191 References 192 9 Composites Using Agricultural Wastes 197Taha Ashour 9.1 Introduction 197 9.2 Natural Fibres Classification 200 9.3 Types of Plant Fibres 201 9.4 Composite Mechanical Properties 211 9.5 Industry Process of Some Biocomposites Using Agricultural Wastes 217 References 235 10 Manufacturing of Rice Waste-Based Natural Fiber Polymer Composites from Thermosetting vs. Thermoplastic Matrices 241Altaf H. Basta, Houssni El-Saied and Mohamed S. Hassanen 10.1 General Introduction 241 10.2 Scope Survey of Agro-Based NFPC Composites 243 10.3 Optimizing the Conditions for Production of High Performance Natural Fiber Polymer Composites 248 Acknowledgment 258 References 259 11 Thermoplastic Polymeric Composites and Polymers: Their Potentialities in a Dialogue Between Art and Technology 263Thais H. Sydenstricker Flores-Sahagun, Nivaldo Rodrigues Carneiro and Danelia Lee Flores-Sahagun 11.1 Introduction 263 11.2 Organic Beauty in 1998 265 11.3 Organic Beauty and Other Sculptures in 2014 268 11.4 Laboratory Experiences 276 11.5 Final Remarks 282 Acknowledgments 285 References 285 12 Natural Fiber Reinforced PLA Composites: Effect of Shape of Fiber Elements on Properties of Composites 287Tibor Alpár, Gábor Markó and László Koroknai 12.1 Introduction 287 12.2 Natural Reinforcers 290 12.3 Element Morphology 293 12.4 Continuous Fiber Reinforced PLA Composite 305 References 309 13 Rigid Closed-Cell PUR Foams Containing Polyols Derived from Renewable Resources: The Effect of Polymer Composition, Foam Density, and Organoclay Filler on their Mechanical Properties 313M. Kirpluks, L. Stiebra, A. Trubaca-Boginska, U. Cabulis and J. Andersons 13.1 Introduction 313 13.2 Experimental 318 13.3 Modeling the Mechanical Properties of Foams 321 13.4 Results and Discussion 325 13.5 Conclusions 335 Acknowledgement 336 References 336 14 Preparation and Application of the Composite From Alginate 341Zhou Zhiyu, Xiao Kecen and Chen Yu 14.1 Introduction 341 14.2 Composites from Alginate and Natural Polymers 342 14.3 Composites from Alginate and Synthetic Polymers 351 14.4 Composites from Alginate and Biomacromolecules 356 14.5 Composites from Alginate and Inorganic Components 359 14.6 Composites from Alginate and Carbon Materials 364 14.7 Composites from Alginate and Clays 366 References 367 15 Recent Developments in Biocomposites of Bombyx mori Silk Fibroin 377G M Arifuzzaman Khan, Nazire Deniz Yilmaz and Kenan Yilmaz 15.1 Introduction 377 15.2 History of B. mori Silk 378 15.3 Chemical Composition of B. mori Silk 379 15.4 Properties of B. mori Silk 382 15.5 Extraction of Silk Fibroin by Degumming Process 386 15.6 Regenerated Fibroin Solution 388 15.7 Silk Fibroin Hydrogels 389 15.8 Methods of SF-based Biocomposite Production 389 15.9 Silk Fibroin-Based Biocomposites 392 15.10 Conclusion 400 References 400 16 Design and Manufacturing of Natural Fiber/Synthetic Fiber Reinforced Polymer Hybrid Composites 411Asim Shahzad and R. S. Choudhry 16.1 Introduction 411 16.2 Natural Fiber/Synthetic Fiber Hybrid Composites 421 16.3 Applications and Future Outlook 440 16.4 Conclusions 440 References 441 17 Natural Fibre Composite Strengthening Solution for Structural Beam Component for Enhanced Flexural Strength, as Alternatives to CFRP and GFRP Strengthening Techniques 449Tara Sen 17.1 Introduction 449 17.2 Materials 454 17.3 Mechanical Characterization of Natural and Artificial Frp Composites 456 17.4 RC Beam Strengthening Rechnique Using Natural and Artificial FRP Composite Systems 458 17.5 Experimentation and Analysis of Results 461 17.6 Conclusions 468 References 470 18 High Pressure Resin Transfer Moulding of Epoxy Resins from Renewable Sources 475Salvatore Mannino, Alberta Latteri, Giuseppe Saccullo, Rey Banatao, Stefan Pastine and Gianluca Cicala 18.1 Introduction 475 18.2 Experimental 480 18.3 Results and Discussions 483 18.4 Conclusions 487 Acknowledgements 487 References 487 19 Cork-Based Structural Composites 489António Torres Marques, Paulo Nóvoa, Marcelo Moura and Albertino Arteiro 19.1 Introduction: Cork as a Sustainable Resource 489 19.2 Cork as a Structural Material 490 19.3 Fibers and Matrices 494 19.4 Core Cork Sandwich Concepts 494 19.5 Damage Tolerant Structures with Cork 509 19.6 Processing Techniques 511 19.7 Design Philosophy 511 19.8 Conclusions and Challenges 512 References 512 20 The Use of Wheat Straw as an Agricultural Waste in Composites for Semi-Structural Applications 515Carlo Santulli 20.1 Introduction 515 20.2 Application of Wheat Straw in Composites 518 20.3 Future Developments 524 20.4 Conclusions 527 References 528 21 Design and Manufacturing of Sustainable Composites 533Alencar Bravo and Darli Vieira 21.1 Introduction to Ecological Composite Design 533 21.2 Design Principles for a Sustainable Composite 557 21.3 Summary of Available Composite Manufacturing Processes 569 21.4 Techniques for Improving the Thermo-Mechanical Properties of Composites 580 Acronym List 589 References 590

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Book SynopsisThe Handbook of Composites From Renewable Materials comprises a set of 8 individual volumes that brings an interdisciplinary perspective to accomplish a more detailed understanding of the interplay between the synthesis, structure, characterization, processing, applications and performance of these advanced materials. The handbook covers a multitude of natural polymers/ reinforcement/ fillers and biodegradable materials. Together, the 8 volumes total at least 5000 pages and offers a unique publication. This 3rd volume of the Handbook is solely focused on the Physico-Chemical and Mechanical Characterization of renewable materials. Some of the important topics include but not limited to: structural and biodegradation characterization of supramolecular PCL/HAP nano-composites; different characterization of solid bio-fillers based agricultural waste material; poly (ethylene-terephthalate) reinforced with hemp fibers; poly (lactic acid) thermoplastic composites from Table of ContentsPreface xxi 1 Structural and Biodegradation Characterization of Supramolecular PCL/HAp Nanocomposites for Application in Tissue Engineering 1Parvin Shokrollahi, Fateme Shokrolahi and Parinaz Hassanzadeh 1.1 Introduction 1 1.2 Biomedical Applications of HAp 2 1.3 Effect of HAp Particles on Biodegradation of PCL/HAp Composites 5 1.4 Polycaprolactone 6 1.5 Supramolecular Polymers and Supramolecular PCL 7 1.6 Supramolecular Composites: PCL (UPy)2 /HApUPy Composites 8 1.7 PCL(UPy)2 /HApUPy Nanocomposites 17 References 20 2 Different Characterization of Solid Biofillers-based Agricultural Waste Material 25Ahmad Mousa and Gert Heinrich 2.1 Introduction 25 2.2 Examples on Agricultural Waste Materials 26 2.3 The Main Polymorphs of Cellulose 30 2.4 Modification Methods of Agro-biomass 31 2.5 Properties of Thermoplastics Reinforced with Untreated Wood Fillers 34 2.6 Production of Nanocellulose 34 2.7 Processing of Wood Thermoplastic Composites 37 2.8 Conclusion 38 References 38 3 Poly (ethylene-terephthalate) Reinforced with Hemp Fibers: Elaboration, Characterization, and Potential Applications 43A.S. Fotso Talla, F. Erchiqui and J.S.Y. D Pagé 3.1 General Introduction to Biocomposite Materials 43 3.2 PET–Hemp Fiber Composites 45 3.3 Methods of Elaboration and Characterization of PET–Hemp Fiber Composites 48 3.4 Properties of PET–Hemp Fiber Composites 50 3.5 Applications of PET–Hemp Fiber Composites 57 3.6 Conclusion and Future Prospects 64 References 64 4 Poly(Lactic Acid) Thermoplastic Composites from Renewable Materials 69Khosrow Khodabakhshi 4.1 Introduction 69 4.2 Poly(Lactic Acid) Production, Properties, and Processing 71 4.3 Poly(Lactic Acid) Nanocomposites 74 4.4 Poly(Lactic Acid) Natural Fibers-Reinforced Composites 79 4.5 Conclusions 93 References 93 5 Chitosan-Based Composite Materials: Fabrication and Characterization 103Nabil A. Ibrahim and Basma M. Eid 5.1 Introduction 103 5.2 Cs-Based Composite Materials 105 5.3 Cs-Based Nanocomposites 105 5.4 Characterization of Cs-based Composites 130 5.5 Environmental Concerns 130 5.6 Future Prospects 130 References 133 6 The Use of Flax Fiber-reinforced Polymer (FFRP) Composites in the Externally Reinforced Structures for Seismic Retrofitting Monitored by Transient Thermography and Optical Techniques 137C. Ibarra-Castanedo, S. Sfarra, D. Paoletti, A. Bendada and X. Maldague 6.1 Introduction 137 6.2 Experimental Setup 139 6.3 Conclusions 151 Acknowledgments 152 References 152 7 Recycling and Reuse of Fiber-Reinforced Polymer Wastes in Concrete Composite Materials 155M.C.S. Ribeiro, A. Fiúza and A.J.M. Ferreira 7.1 Introduction 155 7.2 Recycling Processes for Thermoset FRP Wastes 158 7.3 End-Use Applications for Mechanically Recycled FRP Wastes 164 7.4 Market Outlook and Future Perspectives 166 Acknowledgment 167 References 167 8 Analysis of Damage in Hybrid Composites Subjected to Ballistic Impacts: An Integrated Non-destructive Approach 175S. Sfarra, F. López, F. Sarasini, J. Tirillò, L. Ferrante, S. Perilli, C. Ibarra-Castanedo, D. Paoletti, L. Lampani, E. Barbero, S. Sánchez-Sáez and X. Maldague 8.1 Introduction 176 8.2 Lay-up Sequences and Manufacturing of Composite Materials 178 8.3 Test Procedure 178 8.4 Numerical Simulation 180 8.5 Non-destructive Testing Methods and Related Techniques 191 8.6 Results and Discussion 194 8.7 Conclusions 206 References 206 9 Biofiber-Reinforced Acrylated Epoxidized Soybean Oil (AESO) Biocomposites 211Nazire Deniz Yýlmaz, G.M. Arifuzzaman Khan and Kenan Yýlmaz 9.1 Introduction 211 9.2 Soybean Oil 213 9.3 Functionalization of Soy Oil Triglyceride 216 9.4 Manufacturing of AESO-Based Composites 227 9.5 Targeted Applications 247 9.6 Conclusion 247 Acknowledgments 248 References 248 10 Biopolyamides and High-Performance Natural Fiber-Reinforced Biocomposites 253Shaghayegh Armioun, Muhammad Pervaiz and Mohini Sain 10.1 Introduction 253 10.2 Polyamide Chemistry 256 10.3 Overview of Current Applications of Polyamides 261 10.4 Biopolyamide Reinforced with Natural Fibers 262 10.5 Conclusion 268 References 268 11 Impact of Recycling on the Mechanical and Thermo-Mechanical Properties of Wood Fiber Based HDPE and PLA Composites 271Dilpreet S. Bajwa and Sujal Bhattacharjee 11.1 Introduction 271 11.2 Experiments 275 11.3 Results and Discussion 279 11.4 Conclusion 289 References 289 12 Lignocellulosic Fibers Composites: An Overview 293Grzegorz Kowaluk 12.1 Wood 293 12.2 Conventional Wood-Based Composites 296 12.3 Lignocellulosic Composites with Reduced Weight 299 12.4 Regenerated Cellulose Fibers 301 12.5 Composites with Natural Fibres 303 12.6 Sisal 303 12.7 Banana Fibers 304 12.8 Lignin and Cellulose 305 12.9 Nanocellulose 306 References 306 13 Biodiesel-Derived Raw Glycerol to Value-Added Products: Catalytic Conversion Approach 309Samira Bagheri, Nurhidayatullaili Muhd Julkapli, Wageeh Abdulhadi Yehya Dabdawb and Negar Mansouri 13.1 Introduction 309 13.2 Glycerol 313 13.3 Catalytic Conversion of Glycerol to Value-added Products 316 13.4 Conclusion 345 References 346 14 Thermo-Mechanical Characterization of Sustainable Structural Composites 367Marek Prajer and Martin P. Ansell 14.1 Introduction 367 14.2 Structure and Mechanical Properties of Botanical Fibers 368 14.3 Sustainable Polymer Matrix 372 14.4 Interface in Natural Fiber-Sustainable Polymer Microcomposites 377 14.5 Natural Fibers as a Reinforcement in Unidirectional and Laminar Composites 381 14.6 Sustainable Structural Composites 384 14.7 Discussion and Conclusions 401 Acknowledgment 402 References 402 15 Novel pH Sensitive Composite Hydrogel Based on Functionalized Starch/clay for the Controlled Release of Amoxicillin 409T.S. Anirudhan, J. Parvathy and Anoop S. Nair 15.1 Introduction 409 15.2 Experimental 412 15.3 Results and Discussion 416 15.4 Conclusions 421 Acknowledgments 422 References 422 16 Preparation and Characterization of Biobased Thermoset Polymers from Renewable Resources and Their Use in Composites 425Sunil Kumar Ramamoorthy, Dan Åkesson, Mikael Skrifvars and Behnaz Baghaei 16.1 Introduction 425 16.2 Characterization 427 References 452 17 Influence of Natural Fillers Size and Shape into Mechanical and Barrier Properties of Biocomposites 459Marcos Mariano, Clarice Fedosse Zornio, Farayde Matta Fakhouri and Sílvia Maria Martelli 17.1 Introduction 459 17.2 Mechanical Properties of Biobased Composites 464 References 480 18 Composite of Biodegradable Polymer Blends of PCL/PLLA and Coconut Fiber: The Effects of Ionizing Radiation 489Yasko Kodama 18.1 Introduction 489 18.2 Material and Method 494 18.3 Results and Discussion 502 18.4 Conclusion 519 Acknowledgments 520 References 521 19 Packaging Composite Materials from Renewable Resources 525Behjat Tajeddin 19.1 Introduction 525 19.2 Sustainable Packaging 527 19.3 Packaging Materials/Composites 531 19.4 Biomass Packaging Materials/Biobased Polymers 532 19.5 Vegetable Oils/Essential Oils 538 19.6 Aliphatic Polyesters 538 19.7 Synthetic/Natural Polymers Reinforcement with Any Other Renewable Resources/Vegetables Fibers Blends 544 19.8 Edible Packaging Materials (Composites) 545 19.9 Processing Methods or Tools for Biopackaging Composites Productions 546 19.10 Nanopackaging (Bionanocomposites) 549 19.11 Preparation Methods for Packaging Nanocomposites 550 19.12 Edible Nanocomposite-based Material 552 19.13 Summary/Conclusion 552 Abbreviations 553 References 554 20 Physicochemical Properties of Ash-Based Geopolymer Concrete 563M. Shanmuga Sundaram and S. Karthiyaini 20.1 Precursor of Geopolymerization 563 20.2 Back Ground of Precursor 564 20.3 Present Scenario of Geopolymer 564 20.4 Geopolymer Concrete 565 20.5 Constituents of Geopolymers 566 20.6 Evolution of Geopolymer 566 20.7 Works on Geopolymer Concrete 567 20.8 Economic Benefits of Geopolymer Concrete 574 20.9 Authors Study 574 20.10 Conclusion 577 References 578 21 A Biopolymer Derived from Castor Oil Polyurethane: Experimental and Numerical Analyses 581R.R.C. da Costa, A.C. Vieira, R.M. Guedes and V. Tita 21.1 Introduction 581 21.2 Experimental Analyses 586 21.3 Constitutive Models 590 21.4 Results 591 21.5 Conclusions 602 Acknowledgment 604 References 604 22 Natural Polymer-Based Biomaterials and Its Properties 607Md. Saiful Islam, Irmawati Binti Ramli, S.N. Kamilah, Azman Hassan and Abu Saleh Ahmed 22.1 Introduction 608 22.2 Modifications of PLA 612 22.3 PLA Applications 612 22.4 Characterization by FT-IR 614 22.5 Characterization by Optical Microscopy 615 22.6 Characterization by Electron Microscopy 616 22.7 Characterization by Mechanical Testing 618 22.8 Characterization of GPC 624 22.9 Characterization of Dynamic Mechanical Thermal Analysis 625 References 626 23 Physical and Mechanical Properties of Polymer Membranes from Renewable Resources 631Anika Zafiah Mohd Rus 23.1 Introduction 631 23.2 Membranes Classifications 633 23.3 Overview of Fabrication Method of Polymer Membranes from Renewable Resources 637 23.4 Chemical Reaction of Renewable Polymer (BP) 640 23.5 Morphological Changes of Polymer Membrane by Scanning Electron Microscope 645 23.6 Water Permeability 648 23.7 Conclusions 649 References 650 Index 653

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Book SynopsisThis unique multidisciplinary 8-volume set focuses on the emerging issues concerning synthesis, characterization, design, manufacturing and various other aspects of composite materials from renewable materials and provides a shared platform for both researcher and industry. The Handbook of Composites from Renewable Materials comprises a set of 8 individual volumes that brings an interdisciplinary perspective to accomplish a more detailed understanding of the interplay between the synthesis, structure, characterization, processing, applications and performance of these advanced materials. The Handbook comprises 169 chapters from world renowned experts covering a multitude of natural polymers/ reinforcement/ fillers and biodegradable materials. Volume 7 is solely focused on the Nanocomposites: Science and Fundamentals of renewable materials. Some of the important topics include but not limited to: Preparation, characterization, and applications of naTable of ContentsPreface xxi 1 Preparation, Characterization, and Applications of Nanomaterials (Cellulose, Lignin, and Silica) from Renewable (Lignocellulosic) Resources 1K.G. Satyanarayana, Anupama Rangan, V.S. Prasad and Washington Luiz Esteves Magalhaes 1.1 Introduction 2 1.1.1 Cellulose and Nanocellulose 3 1.1.1.1 Types of Nanocellulose 5 1.1.2 Lignin and Nanolignin 7 1.1.3 Silica and Nanosilica 7 1.2 Preparation of Nanomaterials 10 1.2.1 Nanocellulose from Lignocellulosic Materials 10 1.2.1.1 Mechanical Shearing and Grinding 11 1.2.1.2 Steam Explosion/High-Pressure Homogenization 12 1.2.1.3 Chemical Methods (Acid Hydrolysis, Alkaline Treatment and Bleaching) 16 1.2.1.4 Ultrasonication 17 1.2.1.5 Other Methods 18 1.2.1.6 Functionalized Nanocellulose from Fibers 20 1.2.2 Nanolignin 21 1.2.2.1 Precipitation Method 22 1.2.2.2 Chemical Modification 22 1.2.2.3 Electro Spinning Followed by Surface Modification 22 1.2.2.4 Freeze Drying Followed by Thermal Stabilization and Carbonization 22 1.2.2.5 Supercritical Antisolvent Technology 23 1.2.2.6 Chemomechanical Methods 23 1.2.2.7 Nanolignin by Self-Assembly 23 1.2.2.8 Lignin Nanocontainers by Miniemulsion Method 23 1.2.2.9 Template-Mediated Synthesis 24 1.2.3 Nanosilica 25 1.2.3.1 Nanosilica Obtained from Plants 25 1.2.3.2 Enzymatic Crystallization of Amorphous Nanosilica 27 1.3 Characterization of Nanomaterials 27 1.3.1 Characterization of Nanocellulose 29 1.3.1.1 Structure and Morphology of NC 29 1.3.1.2 Physical Properties (Dimensions, Density, Electrical, Crystallinity, and Any Other) 33 1.3.1.3 Mechanical Properties 36 1.3.2 Characterization of Lignin Nanoparticles 37 1.3.2.1 Morphology of Lignin Nanoparticles 38 1.3.2.2 Thermal Analysis 39 1.3.3 Other Methods 39 1.3.4 Characterization of Nanosilica 39 1.4 Applications and Market Aspects 45 1.4.1 Nanocellulose 45 1.4.1.1 Biomedical Applications 46 1.4.1.2 Dielectric Materials 46 1.4.1.3 In Composite Manufacturing for Various Applications 46 1.4.1.4 Advanced Functional Materials 47 1.4.2 Nanolignin 49 1.4.3 Nanosilica 51 1.4.3.1 In Composites 51 1.4.3.2 Nanosilica in Nacre Composite 52 1.4.3.3 Encapsulation of Living Cells by Nanosilica 52 1.5 Concluding Remarks and Challenges Ahead 54 Acknowledgments 55 References 55 2 Hydrogels and its Nanocomposites from Renewable Resources: Biotechnological and Biomedical Applications 67B. Manjula, A. Babul Reddy, T. Jayaramudu, E.R. Sadiku, S.J. Owonubi, Oluranti Agboola and Tauhami Mokrani 2.1 Introduction 67 2.2 Hydrogels from Renewable Resources 71 2.3 Hydrogel Technical Features 72 2.4 Nanocomposite Hydrogels 72 2.4.1 Polymer-Clay-Based Nanocomposite Hydrogels 75 2.4.2 Poly(ethylene Oxide)–Silicate Nanocomposite Hydrogels 76 2.4.3 Poly(acryl Amide) and Poly(vinyl Alcohol)–Silicate-Based Nanocomposite Hydrogels 77 2.5 Nanocomposite Hydrogels with Natural Polymers 79 2.6 Classifications of Hydrogels 80 2.7 Applications of Hydrogels as Biomaterials 82 2.7.1 Hydrogels for Drug Delivery Applications 82 2.7.2 Hydrogels for Tissue-Engineering Scaffolds 84 2.7.3 Hydrogels for Contact Lens 85 2.7.4 Hydrogels for Cell Encapsulation 85 2.7.5 Artificial Muscles and Nerve Regeneration 86 2.8 Conclusions 87 Acknowledgment 88 References 88 3 Preparation of Chitin-Based Nanocomposite Materials Through Gelation with Ionic Liquid 97Kazuya Yamamoto and Jun-ichi Kadokawa 3.1 Introduction 98 3.2 Dissolution and Gelation of Chitin with Ionic Liquid 100 3.3 Fabrication of Self-Assembled Chitin Nanofibers by Regeneration from the Chitin Ion Gels 103 3.4 Preparation of Nanocomposite Materials from Chitin Nanofibers 104 3.5 Conclusion 114 References 115 4 Starch-Based Bionanocomposites 121Abbas Dadkhah Tehrani, Masoumeh Parsamanesh and Ali Bodaghi 4.1 Introduction 121 4.2 Nanocomposites 122 4.3 Starch Structural Features 123 4.4 Starch-Based Bionanocomposites 124 4.4.1 Starch Silicate Nanocomposites 125 4.4.2 Starch/Chitosan Composites 126 4.4.3 Starch Cellulose Nanocomposites 128 4.4.4 Starch Nanocomposites with Other Nanofillers 129 4.5 Starch Nanocrystal, Nanoparticle, and Nanocolloid Preparation and Modification Methods 131 4.5.1 Starch Nanocrystals Preparation by Acid Hydrolysis Method 131 4.5.2 Starch Nanocrystal Modification Methods 133 4.5.2.1 Starch Nanocrystals Chemical Modification by Molecules with Low Molecular Weight 133 4.5.2.2 Modification of Starch Nanocrystals via Surface Grafting of Polymers 133 4.5.3 Starch Nanoparticle and Nanocolloid Preparation and Modification Methods 135 4.6 Nano Starch as Fillers in Other Nanocomposites 140 4.7 Biomedical Application 143 4.8 Conclusion 144 References 145 5 Biorenewable Nanofiber and Nanocrystal: Renewable Nanomaterials for Constructing Novel Nanocomposites 155Linxin Zhong and Xinwen Peng 5.1 Nanocellulose-Based and Nanocellulose-Reinforced Nanocomposite Hydrogels 156 5.1.1 Gelling Performances of Nanocelluloses 157 5.1.2 Nanocelluloses-Reinforced Nanocomposite Hydrogels 159 5.2 Nanocellulose-Based Aerogels 166 5.2.1 Preparation and Properties of Nanocellulose Aerogels 166 5.2.2 Nanocellulose–Polymer Composite Aerogels 171 5.2.3 Nanocellulose–Inorganic Nanocomposite Aerogels 176 5.2.4 Nanocellulose–Nanocarbon Hybrid Aerogels 179 5.3 Nanocellulose-Based Biomimetic and Conductive Nanocomposite Films 183 5.3.1 Nanocellulose–Polymer Biomimetic Nanocomposite Films 183 5.3.2 Nanocellulose–Inorganic Biomimetic Nanocomposite Films 187 5.3.3 Nanocellulose–Nanocarbon Conductive Nanocomposite Films 190 5.4 Chiral Nematic Liquid Crystal and its Nanocomposites with Unique Optical Properties 196 5.4.1 CNC Chiral Nematic Performances 196 5.4.2 CNC–Polymer Photonic Nanocomposites 199 5.4.3 CNC–Inorganic Photonic Nanocomposites 202 5.4.4 CNC-Templated Chiral Nematic Nanomaterials 204 5.5 Spun Fibers from Nanocelluloses 207 5.5.1 Spinning Performances of Nanocelluloses and Properties 207 5.5.2 Nanocellulose–Polymer Spinning Nanocomposite Fibers 210 5.5.3 Nanocellulose–Nanocarbons Spinning Nanocomposite Fibers 212 5.6 Summary and Outlook 213 References 215 6 Investigation of Wear Characteristics of Dental Composite Reinforced with Rice Husk–Derived Nanosilica Filler Particles 227I.K. Bhat, Amar Patnaik and Shiv Ranjan Kumar 6.1 Introduction 227 6.2 Materials and Method 229 6.2.1 Synthesis of Nanosilica Powder 229 6.2.2 Materials and Fabrication Details 230 6.2.3 Determination of Hardness 230 6.2.4 Determination of Flexural Strength 231 6.2.5 Determination of Wear 231 6.2.6 Field Emission Scanning Electron Microscope 232 6.3 Results and Discussion 232 6.3.1 Effect of Vickers Hardness on the Dental Composite Filled with Silane-Treated Nanosilica 232 6.3.2 Effect of Flexural Strength on the Dental Composite Filled with Silane-Treated Nanosilica 233 6.3.3 Steady-State Condition for Wear Characterization in Food Slurry and Acidic Medium 233 6.3.3.1 Effect of Chewing Load on Volumetric Wear Rate on Dental Composite 233 6.3.3.2 Effect of Profile Speed on Volumetric Wear Rate of Dental Composite 235 6.3.3.3 Effect of Chamber Temperature on Volumetric Wear Rate of Dental Composite 236 6.3.4 Wear Analysis of Experimental Results by Taguchi Method and ANOVA Analysis 237 6.3.4.1 Wear Analysis of Silane-Treated Nanosilica-Filled Dental Composite in Food Slurry Using Taguchi and ANOVA 237 6.3.4.2 Wear Analysis of Silane-Treated Nanosilica-Filled Dental Composite in Citric Acid Using Taguchi and ANOVA 240 6.3.5 Surface Morphology of Worn Surfaces Under Food Slurry and Citric Acid Condition 241 6.3.6 Confirmation Experiment of Proposed Composites 243 6.4 Conclusions 244 Acknowledgments 245 Nomenclature 245 References 245 7 Performance of Regenerated Cellulose Nanocomposites Fabricated via Ionic Liquid Based on Halloysites and Vermiculite 249Nurbaiti Abdul Hanid, Mat Uzir Wahit and Qipeng Guo 7.1 Introduction 250 7.1.1 Overview 250 7.1.2 Cellulose Structure and Properties 250 7.1.3 Regenerated Cellulose 251 7.1.4 Conventional Solvent for Cellulose 251 7.1.5 Dissolution of Cellulose in NMMO 252 7.1.6 Cellulose Dissolution in Ionic Liquid 253 7.1.7 Regenerated Cellulose Nanocomposites 255 7.1.8 Halloysites 255 7.1.9 Vermiculite 255 7.2 Experimental 256 7.2.1 Materials 256 7.2.2 Sample Preparation 257 7.2.2.1 The Preparation of Regenerated Cellulose via Ionic Liquid 257 7.2.2.2 Preparation of Regenerated Cellulose Nanocomposites via Ionic Liquids 257 7.2.3 Characterization of the Nanocomposites Films 257 7.3 Results and Discussions 258 7.3.1 XRD Patterns of RC Nanocomposites 258 7.3.2 FTIR Spectra of RC Nanocomposites 259 7.3.3 Mechanical Properties of RC Nanocomposites 261 7.3.4 Morphology Analysis of the RC Nanocomposites 263 7.3.4.1 Transmission Electron Micrographs Images Analysis 263 7.3.4.2 Scanning Electron Microscopy Images Analysis 264 7.3.5 Thermal Stability Analysis of RC Nanocomposites 265 7.3.6 Water Absorption of RC Nanocomposites 267 7.4 Conclusion 268 Acknowledgments 269 References 269 8 Preparation, Structure, Properties, and Interactions of the PVA/Cellulose Composites 275Bai Huiyu 8.1 PVA and Cellulose 275 8.1.1 Polyvinyl Alcohol 275 8.1.1.1 Molecular Weight and the Degree of Alcoholysis 275 8.1.1.2 The Advantages and Disadvantages of PVA 276 8.1.2 Cellulose 277 8.1.2.1 Structure and Chemistry of Cellulose 277 8.1.2.2 Source of Cellulose 278 8.1.2.3 The Particle Types of Cellulose 278 8.1.2.4 Properties of Cellulose 279 8.1.2.5 Application of Cellulose 280 8.1.3 PVA/Cellulose Composites 280 8.1.3.1 The Properties of PVA/Cellulose Composites 280 8.1.3.2 Application of PVA/Cellulose Composites 281 8.2 The Bulk and Surface Modification of Cellulose Particles 281 8.2.1 The Bulk Modification of Cellulose Particles 281 8.2.1.1 Complex Modification 281 8.2.1.2 Graft Polymerization 282 8.2.2 The Surface Modification of Cellulose 283 8.2.2.1 Chemical Surface Modification 283 8.2.2.2 Physical Surface Modification 284 8.3 The Methods and Technology of Preparation of the PVA/Cellulose Composites 284 8.3.1 Solvent Casting 284 8.3.2 Melt Processing 285 8.3.3 Electrospun Fiber 285 8.3.4 In Situ Production 286 8.4 The Relationship between Structure and Properties of PVA/Cellulose Composites 286 8.4.1 Interpenetrating Polymer Network 286 8.4.2 Hydrogen-Bonding or Bond Network 287 8.4.3 Chemical Cross-Linked Network 287 8.5 The Effect of the Interaction between PVA and Cellulose on Properties of PVA/Cellulose Composites 288 8.5.1 Characterization Methods for the Interaction between PVA and Cellulose 288 8.5.1.1 Raman Spectroscopy 288 8.5.1.2 Differential Scanning Calorimetry 288 8.5.1.3 X-Ray Powder Diffraction 289 8.5.1.4 Fourier Transform Infrared 289 8.5.2 Interaction between PVA and Cellulose 290 8.5.2.1 Molecular Interactions 290 8.5.2.2 Covalent Interactions 290 8.5.2.3 Nucleation of Cellulose 290 8.6 Conclusions and Outlook 291 References 291 9 Green Composites with Cellulose Nanoreinforcements 299Denis Mihaela Panaitescu, Adriana Nicoleta Frone and Ioana Chiulan 9.1 Introduction 299 9.2 A Short Overview on Nanosized Cellulose 300 9.3 General Aspects on Green Composites with Cellulose Nanoreinforcements 304 9.4 Green Composites from Biopolyamides and Cellulose Nanoreinforcements 305 9.5 Green Composites from Polylactide and Cellulose Nanoreinforcements 309 9.5.1 General Aspects 309 9.5.2 Processing Methods 310 9.5.2.1 Solution Casting 310 9.5.2.2 Melt Processing 311 9.5.2.3 Other Processing Techniques 314 9.5.3 Mechanical, Thermal, and Morphological Properties 314 9.5.4 Applications 318 9.6 Microbial Polyesters Nanocellulose Composites 319 9.6.1 PHAs Biosynthesis 319 9.6.2 General Overview on PHAs–Nanocellulose Composites 321 9.6.3 Processing Strategies for the Preparation of PHAs–Cellulose Nanocomposites 321 9.6.4 Morphological, Thermal, and Mechanical Characteristics of PHAs/Nanocellulose 323 9.6.5 Biodegradability and Biocompatibility 327 9.6.6 Applications 328 9.7 Conclusions 328 Acknowledgment 329 References 329 10 Biomass Composites from Bamboo-Based Micro/Nanofibers 339Haruo Nishida, Keisaku Yamashiro and Takayuki Tsukegi 10.1 Introduction 339 10.2 Bamboo Microfiber and Microcomposites 340 10.2.1 Bamboo Fibrovascular Bundle Structure 340 10.2.2 Preparation Methods of Short Bamboo Microfiber 341 10.2.3 Preparation of sBμF with Super-Heated Steam 342 10.2.3.1 SHS Treatment 342 10.2.3.2 Characterization Methods of sBμF 342 10.2.3.3 Changes in Surface Morphology of SHS-Treated Bamboo 344 10.2.3.4 Changes in Chemical and Physical Properties of SHS-Treated Bamboo 345 10.2.3.5 Classification of sBμF 348 10.2.4 Preparation of sBμF/Plastic Microcomposites 349 10.2.4.1 Mechanical and Physical Properties of sBμF/Plastic Microcomposites 349 10.2.4.2 Melt Processability of sBμF/Plastic Microcomposites 350 10.2.4.3 Electrical Properties of sBμF/Plastic Microcomposites 350 10.3 Bamboo Lignocellulosic Nanofiber and Nanocomposite 352 10.3.1 Nanofibrillation Technologies of Cellulose 352 10.3.2 Nanofibrillation Technologies of Lignocellulose 352 10.3.3 Reactive Processing for Nanofibrillation 353 10.3.4 Changes in Cellulose Crystalline Structure after Nanofibrillation 355 10.3.5 Preparation of BLCNF/Plastic Nanocomposites 355 10.3.6 Properties of BLCNF/Plastic Nanocomposites 356 10.4 Conclusions 357 References 358 11 Synthesis and Medicinal Properties of Polycarbonates and Resins from Renewable Sources 363Selvaraj Mohana Roopan, T.V. Surendra and G. Madhumitha 11.1 Introduction 363 11.2 Synthesis 365 11.2.1 Chemical Synthesis of Polycarbonates 365 11.2.2 Synthesis of Polycarbonate from Eugenol 365 11.2.3 Synthesis of Renewable Bisphenols from 2,3-Pentanedione 366 11.2.4 Synthesis of Mesoporous PC–SiO2 367 11.2.5 Synthesis of Fluorinated Epoxy-Terminated Bisphenol A Polycarbonate (FBPA-PC EP) 367 11.2.6 Synthesis of Eugenol-Based Epoxy Resin (DEU-EP) 368 11.3 Polycarbonates from Renewable Resources 368 11.3.1 Ethylene from Biomass 368 11.3.2 Synthesis of Dianols via Microwave Degradation 369 11.3.3 Glycerol Carbonates from Recyclable Catalyst 369 11.3.4 Alternative to Phosgene for Aromatic Polycarbonate and Isocyanate Syntheses 370 11.3.5 Liquid-Phase Synthesis of Polycarbonate 371 11.4 Medicinal Properties 372 11.4.1 Polycarbonates in Drug Delivery 372 11.4.2 Polycarbonates in Gene Transformation 372 11.4.3 Cytotoxicity Test of Polycarbonates 373 11.4.4 Polycarbonates in Autoimmunity 374 11.4.5 Activation of Hyperprolactinemia and Immunostimulatory Response by Polycarbonates 375 11.5 Conclusion 376 References 376 12 Nanostructured Polymer Composites with Modified Carbon Nanotubes 381A.P. Kharitonov, A.G. Tkachev, A.N. Blohin, I.V. Burakova, A.E. Burakov, A.E. Kucherova and A.A. Maksimkin 12.1 Introduction 382 12.1.1 Polymer Materials and Their Application 382 12.1.2 Carbon Nanotubes Application and Their Main Properties 387 12.2 Experimental Methods 390 12.2.1 Investigation of the CNTs Synthesis 390 12.2.2 CNTs Treatment 395 12.2.3 Composites Fabrication 395 12.2.4 Testing Procedures 395 12.3 Results and Discussion 396 12.3.1 FTIR Spectroscopy 396 12.3.2 Influence of Fluorination on the CNTs Specific Surface 396 12.3.3 X-Ray Photoelectron Spectroscopy Study 396 12.3.4 TGA of Virgin and Fluorinated CNTs 397 12.3.5 SEM Data of Composites Fracture 397 12.3.6 TGA and DSC of Composites 401 12.3.7 Mechanical Properties of Composites 402 12.3.7.1 Tensile Strength 402 12.3.7.2 Flexural Strength 403 12.4 Conclusion 403 Acknowledgments 404 References 404 13 Organic–Inorganic Nanocomposites Derived from Polysaccharides: Challenges and Opportunities 409Ana Barros-Timmons, Fabiane Oliveira and José A. Lopes-da-Silva 13.1 Introduction 409 13.2 Constituents 412 13.2.1 Polysaccharides 412 13.2.2 Inorganic Nanofillers 413 13.3 Preparation of Polysaccharide-Derived Nanocomposites 414 13.3.1 Surface Modification 414 13.3.2 Addition of Components 416 13.3.3 In Situ Preparation of Nanoparticles via Precursors 419 13.4 Processing 421 13.4.1 Plasticizers 422 13.4.2 Conventional Processing Methods to Prepare Inorganic–Polysaccharide Nanocomposites 422 13.4.3 Emerging Methods to Prepare Inorganic–Polysaccharide Nanocomposites 424 13.5 Trends and Perspectives 426 Acknowledgments 426 References 427 14 Natural Polymer-Based Nanocomposites: A Greener Approach for the Future 433Prasanta Baishya, Moon Mandal, Pankaj Gogoi and Tarun K. Maji 14.1 Introduction 433 14.2 Wood Polymer Nanocomposite 435 14.3 Basic Components of Wood Polymer Nanocomposite 436 14.4 Natural Polymer/Raw Material Used in Preparation of WPNC 436 14.4.1 Starch 436 14.4.2 Gluten 437 14.4.3 Chitosan 438 14.4.4 Vegetable Oil 439 14.4.4.1 Chemical Modification of Vegetable Oil 440 14.5 Wood 442 14.6 Cross-Linker 443 14.7 Modification of Natural Polymers 443 14.7.1 Grafting of Starch 443 14.7.2 Modification of Starch by Other Methods 444 14.7.3 Plasticizer 445 14.7.4 Nano-Reinforcing Agents 446 14.7.4.1 Montmorillonite 446 14.7.4.2 Metal Oxide Nanoparticles 447 14.7.4.3 Carbon Nanotubes 448 14.7.4.4 Nanocellulose 448 14.8 Properties of Natural Polymer-Based Composites 449 14.8.1 Mechanical Properties 449 14.8.2 Thermal Properties 450 14.8.3 Water Uptake and Dimensional Stability 450 14.9 Conclusion and Future Prospects 451 References 452 15 Cellulose Whisker-Based Green Polymer Composites 461Silviya Elanthikkal, Tania Francis, C. Sangeetha and G. Unnikrishnan 15.1 Cellulose: Discovery, Sources, and Microstructure 462 15.1.1 Sources of Cellulose 462 15.1.2 Microstructure of Cellulose 463 15.2 Nanocellulose 466 15.2.1 Acid Hydrolysis 467 15.2.2 Mechanical Processes 470 15.2.3 TEMPO-Mediated Oxidation 471 15.2.4 Steam Explosion Method 472 15.2.5 Enzymatic Hydrolysis 473 15.2.6 Hydrolysis with Gaseous Acid 474 15.2.7 Treatment with Ionic Liquid 474 15.3 Polymer Composites 475 15.3.1 Polymer Composite Fabrication Techniques 476 15.3.1.1 Casting Evaporation Technique 476 15.3.1.2 Extrusion 476 15.3.1.3 Compression Molding 477 15.3.1.4 Injection Molding 478 15.3.2 Cellulose Whisker Composites: Literature-Based Discussion 478 15.3.2.1 Latex-Based Composites 478 15.3.2.2 Polar Polymer-Based Composites 479 15.3.2.3 Nonpolar Polymer-Based Composites 479 15.4 Applications of Cellulose Whisker Composites 483 15.4.1 Packaging 484 15.4.2 Automotive and Toys 484 15.4.3 Electronics 484 15.4.4 Biomedical Applications 485 References 486 16 Poly(Lactic Acid) Nanocomposites Reinforced with Different Additives 495Ravi Babu Valapa, G. Pugazhenthi and Vimal Katiyar 16.1 Introduction 495 16.2 Biopolymers 497 16.2.1 Classification of Biopolymers 497 16.3 PLA Nanocomposites 502 16.3.1 PLA–Clay Nanocomposites 502 16.3.2 PLA–Carbonaceous Nanocomposites 507 16.3.3 PLA-Bio Filler Composites 510 16.3.4 PLA–Silica Nanocomposites 516 16.4 Summary 516 References 516 17 Nanocrystalline Cellulose: Green, Multifunctional and Sustainable Nanomaterials 523Samira Bagheri, Nurhidayatullaili Muhd Julkapli and Negar Mansouri 17.1 Introduction: Natural Based Products 523 17.2 Nanocellulose 524 17.2.1 Nanocellulose: Properties 524 17.2.1.1 Nanocellulose: Mechanical Properties 526 17.2.1.2 Nanocellulose: Physical Properties 526 17.2.1.3 Nanocellulose: Surface Chemistry Properties 529 17.2.2 Nanocellulose: Synthesis Process 529 17.2.2.1 Conventional Acid Hydrolysis Process 529 17.2.3 Nanocellulose: Limitations 530 17.2.3.1 Single Particles Dispersion 530 17.2.3.2 Barrier Properties 530 17.2.3.3 Permeability Properties 531 17.3 Nanocellulose: Chemical Functionalization 531 17.3.1 Organic Compounds Functionalization 532 17.3.1.1 Molecular Functionalization 532 17.3.1.2 Macromolecular Functionalization 536 17.3.2 Nanocellulose: Inorganic Compounds Functionalization 539 17.3.2.1 Nanocellulose-Titanium Oxide Functionalization 539 17.3.2.2 Nanocellulose-Fluorine Functionalization 539 17.3.2.3 Nanocellulose-Gold Functionalization 540 17.3.2.4 Nanocellulose-Silver Functionalization 540 17.3.2.5 Nanocellulose-Pd Functionalization 540 17.3.2.6 Nanocellulose-CdS Functionalization 541 17.4 Applications of Functionalized Nanocellulose 541 17.4.1 Wastewater Treatment 541 17.4.2 Biomedical Applications 542 17.4.3 Biosensor and Bioimaging 542 17.4.4 Catalysis 543 17.5 Conclusion 543 Acknowledgment 544 References 544 18 Halloysite-Based Bionanocomposites 557Giuseppe Lazzara, Marina Massaro, Stefana Milioto and Serena Riela 18.1 Introduction 557 18.2 Biodegradable Polymers 559 18.2.1 Cellulose 559 18.2.2 Chitosan 560 18.2.3 Starch 561 18.2.4 Alginate 562 18.2.5 Pectin 562 18.3 Natural Inorganic Filler: Halloysite Nanotubes 563 18.3.1 Functionalization of HNTs 565 18.3.1.1 Functionalization of External Surface 565 18.3.1.2 Functionalization of the Lumen 567 18.3.2 Composites Structured with Halloysite 568 18.4 Bionanocomposites 569 18.4.1 HNT-Biopolymer Nanocomposite Formation 569 18.4.2 Properties of HNTs-Biopolymer Nanocomposites 570 18.4.2.1 Bionanocomposites Surface Morphology 571 18.4.2.2 Bionanocomposites Mechanical and Thermal Response 573 18.5 Applications of HNT/Polysaccharide Nanocomposites 576 18.6 Conclusions 578 References 579 19 Nanostructurated Composites Based on Biodegradable Polymers and Silver Nanoparticles 585Oana Fufă, George Mihail Vlăsceanu, Georgiana Dolete, Daniela Cabuzu, Rebecca Alexandra Puiu, Andreea Cîrjă, Bogdan Nicoară and Alexandru Mihai Grumezescu 19.1 Introduction 585 19.2 Silver Nanoparticles 586 19.3 Applications of Silver Nanoparticles 588 19.4 Silver Nanoparticle Composites 594 19.4.1 In situ and ex situ Strategies for AgNPs-Based Composites with Polymer Matrix 594 19.4.2 Other AgNPs Composites 599 19.5 Applications of Silver Nanoparticles Composites 600 19.5.1 Active Substance Delivery Composites 600 19.5.2 Antimicrobial Composites 603 19.6 Conclusions and Future Prospectives 607 Acknowledgments 608 References 608 20 Starch-Based Biomaterials and Nanocomposites 623Arantzazu Valdés and María Carmen Garrigós 20.1 Introduction 623 20.2 Starch: Structure and Characteristics 625 20.3 Applicability of Starch in Food Industry 627 20.3.1 Starch Biomaterials: Films, Coatings, and Blends 629 20.3.2 Reinforced Materials 631 20.3.3 Starch Nanoparticles 632 20.4 Conclusion 632 References 633 21 Green Nanocomposites-Based on PLA and Natural Organic Fillers 637Roberto Scaffaro, Luigi Botta, Francesco Lopresti, Andrea Maio and Fiorenza Sutera 21.1 Introduction 637 21.2 Poly(lactic acid) (PLA) 638 21.3 Natural Organic Nanofillers 640 21.3.1 Cellulose 641 21.3.1.1 Main Derivatization Methods Used to Increase Cellulose Affinity to PLA 643 21.3.2 Chitin 645 21.3.3 Starch 646 21.4 Bionanocomposites Based on PLA 648 21.4.1 PLA/cellulose Nanocomposites 648 21.4.1.1 Preparation 648 21.4.1.2 Properties 651 21.4.1.3 Degradation 653 21.4.2 PLA/chitin Nanocomposites 654 21.4.2.1 Preparation 654 21.4.2.2 Properties 655 21.4.3 PLA/starch Nanocomposites 656 21.4.3.1 Preparation 656 21.4.3.2 Properties 657 21.5 Conclusions 659 References 659 22 Chitin and Chitosan-Based (NANO) Composites 671André R. Fajardo, Antonio G. B. Pereira, Alessandro F. Martins, Alexandre T. Paulino, Edvani C. Muniz and You-Lo Hsieh 22.1 Introduction 672 22.1.1 Chitin 672 22.1.2 Chitosan 673 22.2 Chitin and Chitosan Properties and Processing 674 22.3 Preparation and Characterization of Ct and Cs Composites: An Overview 675 22.4 Ct- and Cs-Metal Composites 679 22.5 Ct and Cs-Inorganic Composites 685 22.5.1 Food Packaging 685 22.5.2 Membranes 685 22.5.3 Biomedical Uses 685 22.5.4 Environmental Remediation 686 22.6 Composites Based on Ct and Cs Whiskers 687 22.7 Overview, Perspectives, and Conclusion 690 References 691 Index 701

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Book SynopsisI thoroughly enjoyed reading this book as it has taken me on a journey through time, across the globe and through multiple disciplines. Indeed, we need to be thinking about these concepts and applying them every day to do our jobs better. Farah Magrabi, Macquarie University, Australia The reader will find intriguing not only the title but also the content of the book. I'm also pleased that public health, and even more specifically epidemiology has an important place in this ambitious discussion. Elena Andresen, Oregon Health & Science University, USA This book is very well written and addresses an important topic. It presents many reasons why basic scientists/researchers should establish collaborations and access information outside traditional means and not limit thinking but rather expand such and perhaps develop more innovative and translational research ventures that will advance science and not move it laterally. Gerald Pepe, Eastern Virginia Table of ContentsPreface vii Part One Outcomes of Research 1 1 Pathways of the Research Innovator 3 2 First Dimension: Scientific Impact 21 3 Second Dimension: Public Health Value 37 4 Third Dimension: Economic Development 53 Part Two Headwinds of Research Innovation 69 5 Slowdown and Erosion 71 6 Non‐reproducible Research 89 7 Red Tape and Litigation 109 Part Three Boosters of Research Productivity 131 8 Humanism for Innovation 133 9 Desire to Understand First 151 10 Learning from the Best 169 11 Cracking Public Health Needs 183 12 Engaged Research 197 13 Cross‐cultural Convergence 215 14 Targeting and Repurposing 229 15 Trailblazing Technologies 243 16 Emulating Nature 259 17 Scientific Modeling 273 18 Mastering Bioentrepreneurship 291 19 Art of Scientific Communication 309 Part Four Atmosphere of Excellence 329 20 Quality and Performance Improvement 331 21 Institutional and National Strategies 345 22 International Collaboration and Competition 365 List of of award-winning scientists and serial innovators 381 Subject Index 387

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Book SynopsisA practical approach to chemical reaction kineticsfrom basic concepts to laboratory methodsfeaturing numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified.The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and Table of ContentsAbout the Author xi Preface xiii 1 Fundamentals of Chemical Reaction Kinetics 1 1.1 Concepts of Stoichiometry 1 1.1.1 Stoichiometric Number and Coefficient 1 1.1.2 Molecularity 2 1.1.3 Reaction Extent 3 1.1.4 Molar Conversion 4 1.1.5 Types of Feed Composition in a Chemical Reaction 5 1.1.6 Limiting Reactant 6 1.1.7 Molar Balance in a Chemical Reaction 7 1.1.8 Relationship between Conversion and Physical Properties of the Reacting System 8 1.2 Reacting Systems 11 1.2.1 Mole Fraction, Weight Fraction and Molar Concentration 11 1.2.2 Partial Pressure 13 1.2.3 Isothermal Systems at Constant Density 13 1.2.3.1 Relationship between Partial Pressure (pA) and Conversion (xA) 16 1.2.3.2 Relationship between Partial Pressure (pA) and Total Pressure (P) 16 1.2.3.3 Relationship between Molar Concentration (CA) and Total Pressure (P) 16 1.2.4 Isothermal Systems at Variable Density 18 1.2.5 General Case of Reacting Systems 22 1.2.6 Kinetic Point of View of the Chemical Equilibrium 22 1.3 Concepts of Chemical Kinetics 24 1.3.1 Rate of Homogeneous Reactions 24 1.3.2 Power Law 26 1.3.2.1 Relationship between kp and kc 27 1.3.2.2 Units of kc and kp 27 1.3.3 Elemental and Non-elemental Reactions 29 1.3.4 Comments on the Concepts of Molecularity and Reaction Order 30 1.3.5 Dependency of k with Temperature 30 1.3.5.1 Arrhenius Equation 30 1.3.5.2 Frequency Factor and Activation Energy 32 1.3.5.3 Evaluation of the Parameters of the Arrhenius Equation 32 1.3.5.4 Modified Arrhenius Equation 42 1.4 Description of Ideal Reactors 43 1.4.1 Batch Reactors 43 1.4.1.1 Modes of Operation 44 1.4.1.2 Data Collection 46 1.4.1.3 Mass Balance 48 1.4.2 Continuous Reactors 49 1.4.2.1 Space–Time and Space–Velocity 50 1.4.2.2 Plug Flow Reactor 50 1.4.2.3 Continuous Stirred Tank Reactor 52 2 Irreversible Reactions of One Component 55 2.1 Integral Method 56 2.1.1 Reactions of Zero Order 58 2.1.2 Reactions of the First Order 59 2.1.3 Reaction of the Second Order 61 2.1.4 Reactions of the nth Order 64 2.2 Differential Method 69 2.2.1 Numerical Differentiation 71 2.2.1.1 Method of Approaching the Derivatives (−dCA/dt) to (ΔCA/Δt) or (dxA/dt) to (ΔxA/Δt) 71 2.2.1.2 Method of Finite Differences 72 2.2.1.3 Method of a Polynomial of the nth Order 74 2.2.2 Graphical Differentiation 74 2.2.2.1 Method of Area Compensation 74 2.2.2.2 Method of Approaching the Derivative (−dCA/dt) to (ΔCA/Δt) 76 2.2.2.3 Method of Finite Differences 77 2.2.2.4 Method of a Polynomial of the nth Order 78 2.2.2.5 Method of Area Compensation 80 2.2.2.6 Summary of Results 82 2.3 Method of Total Pressure 83 2.3.1 Reactions of Zero Order 84 2.3.2 Reactions of the First Order 85 2.3.3 Reactions of the Second Order 85 2.3.4 Reactions of the nth Order 86 2.3.5 Differential Method with Data of Total Pressure 88 2.4 Method of the Half-Life Time 91 2.4.1 Reactions of Zero Order 92 2.4.2 Reactions of the First Order 92 2.4.3 Reaction of the Second Order 93 2.4.4 Reaction of the nth Order 93 2.4.5 Direct Method to Calculate k and n with Data of t1/2 95 2.4.6 Extension of the Method of Half-Life Time (t1/2) to Any Fractional Life Time (t1/m) 97 2.4.7 Calculation of Activation Energy with Data of Half-Life Time 97 2.4.8 Some Observations of the Method of Half-Life Time 99 2.4.8.1 Calculation of n with Two Data of t1/2Measured with Different CAo 99 2.4.8.2 Generalization of the Method of Half-Life Time for Any Reaction Order 101 3 Irreversible Reactions with Two or Three Components 103 3.1 Irreversible Reactions with Two Components 103 3.1.1 Integral Method 103 3.1.1.1 Method of Stoichiometric Feed Composition 104 3.1.1.2 Method of Non-stoichiometric Feed Composition 109 3.1.1.3 Method of a Reactant in Excess 117 3.1.2 Differential Method 120 3.1.2.1 Stoichiometric Feed Composition 120 3.1.2.2 Feed Composition with a Reactant in Excess 120 3.1.2.3 Non-stoichiometric Feed Compositions 121 3.1.3 Method of Initial Reaction Rates 123 3.2 Irreversible Reactions between Three Components 127 3.2.1 Case 1: Stoichiometric Feed Composition 127 3.2.2 Case 2: Non-stoichiometric Feed Composition 129 3.2.3 Case 3: Feed Composition with One Reactant in Excess 130 3.2.4 Case 4: Feed Composition with Two Reactants in Excess 131 4 Reversible Reactions 135 4.1 Reversible Reactions of First Order 135 4.2 Reversible Reactions of Second Order 139 4.3 Reversible Reactions with Combined Orders 146 5 Complex Reactions 153 5.1 Yield and Selectivity 153 5.2 Simultaneous or Parallel Irreversible Reactions 155 5.2.1 Simultaneous Reactions with the Same Order 155 5.2.1.1 Case 1: Reactions with Only One Reactant 155 5.2.1.2 Case 2: Reactions with Two Reactants 161 5.2.2 Simultaneous Reactions with Combined Orders 163 5.2.2.1 Integral Method 165 5.2.2.2 Differential Method 166 5.3 Consecutive or In-Series Irreversible Reactions 167 5.3.1 Consecutive Reactions with the Same Order 167 5.3.1.1 Calculation of CR max and t∗ 171 5.3.1.2 Calculation of CR max and t∗ for k1= k2 172 5.3.2 Consecutive Reactions with Combined Orders 174 6 Special Topics in Kinetic Modelling 179 6.1 Data Reconciliation 180 6.1.1 Data Reconciliation Method 181 6.1.2 Results and Discussion 182 6.1.2.1 Source of Data 182 6.1.2.2 Global Mass Balances 185 6.1.2.3 Outlier Determination 187 6.1.2.4 Data Reconciliation 187 6.1.2.5 Analysis of Results 189 6.1.3 Conclusions 195 6.2 Methodology for Sensitivity Analysis of Parameters 196 6.2.1 Description of the Method 198 6.2.1.1 Initialization of Parameters 199 6.2.1.2 Non-linear Parameter Estimation 201 6.2.1.3 Sensitivity Analysis 201 6.2.1.4 Residual Analysis 202 6.2.2 Results and Discussion 202 6.2.2.1 Experimental Data and the Reaction Rate Model from the Literature 202 6.2.2.2 Initialization of Parameters 204 6.2.2.3 Results of Non-linear Estimation 206 6.2.2.4 Sensitivity Analysis 207 6.2.2.5 Analysis of Residuals 210 6.2.3 Conclusions 210 6.3 Methods for Determining Rate Coefficients in Enzymatic Catalysed Reactions 211 6.3.1 The Michaelis–Menten Model 213 6.3.1.1 Origin 213 6.3.1.2 Development of the Model 213 6.3.1.3 Importance of Vmax and Km 214 6.3.2 Methods to Determine the Rate Coefficients of the Michaelis–Menten Equation 214 6.3.2.1 Linear Regression 214 6.3.2.2 Graphic Method 215 6.3.2.3 Integral Method 215 6.3.2.4 Non-linear Regression 216 6.3.3 Application of the Methods 217 6.3.3.1 Experimental Data 217 6.3.3.2 Calculation of Kinetic Parameters 220 6.3.4 Discussion of Results 222 6.3.5 Conclusions 225 6.4 A Simple Method for Estimating Gasoline, Gas and Coke Yields in FCC Processes 226 6.4.1 Introduction 226 6.4.2 Methodology 227 6.4.2.1 Choosing the Kinetic Models 227 6.4.2.2 Reaction Kinetics 228 6.4.2.3 Estimation of Kinetic Parameters 229 6.4.2.4 Evaluation of Products Yields 230 6.4.2.5 Advantages and Limitations of the Methodology 230 6.4.3 Results and Discussion 231 6.4.4 Conclusions 234 6.5 Estimation of Activation Energies during Hydrodesulphurization of Middle Distillates 234 6.5.1 Introduction 234 6.5.2 Experiments 235 6.5.3 Results and Discussion 236 6.5.3.1 Experimental Results 236 6.5.3.2 Estimation of Kinetic Parameters 237 6.5.3.3 Effect of Feed Properties on Kinetic Parameters 240 6.5.4 Conclusions 241 Problems 243 Nomenclature 273 References 277 Index 283

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Book SynopsisThis volume contains a collection of 14 papers submitted from the below five symposia held during the 11th International Symposium on Ceramic Materials and Components for Energy and Environmental Applications (CMCEE-11), June 14-19, 2015 in Vancouver, BC, Canada: Photocatalysts for Energy and Environmental Applications Advanced Functional Materials, Devices, and Systems for the Environment Geopolymers, Inorganic Polymer Ceramics and Sustainable Composites Macroporous Ceramics For Environmental and Energy Applications Advanced Sensors for Energy, Environment, and Health Applications Table of ContentsPreface vii PHOTOCATALYSTS FOR ENERGY AND ENVIRONMENTAL APPLICATIONSEffect of Structural Properties on the Photoelectrochemical Performance of TiO2 Films 3A. K. Alves, A. C. Teloeken, F. A. Berutti, and C. P. Bergmann Photocatalytic Degradation of Dyes using MWCNT-TiO2 Composites as Catalyst 13F. A. Berutti, A. P. Garcia, A. K. Alves, S. Da Dalt, and C. P. Bergmann Synthesis of the TiO2-Long Lasting Phosphor (Sr4Al14O25:Eu2+,Dy3+) Composite and Its Photocatalytic Reaction Properties 23Jung-Sik Kim, Hyun-Je Sung, and Sang-Chul Jung Development of Microtextured Titanium Dioxide Surface by using Microcutting Techniques 35J. Shimizu, T. Yamamoto, L. Zhou, T. Onuki, and H. Ojima Morphology Control and Photocatalytic Activity of TiO2 Film 43Jinshu Wang, Hongyi Li, Junshu Wu, Qian Cai, Yilong Yang, and Bingxin Zhao ADVANCED FUNCTIONAL MATERIALS, DEVICES, AND SYSTEMS FOR THE ENVIRONMENT Electrochemical Devices with Oxide Ion Electrolytes for Formation of Hydrogen and Decomposition of Carbon Dioxide from the CH4–CO2 Mixed Biogas 59Yoshihiro Hirata, Soichiro Sameshima, and Taro Shimonosono Gastight, Closed Pore Inclusive Porous Ceramics through a Superplastically Foaming Method 69Akira Kishimoto, Atsuki Tohji, Takashi Teranishi, and Hidetaka Hayashi Cyanosilylation of Benzaldehyde with Trimethylsilyl Cyanide Over A-Site Metal Substituted Perovskite-Type Oxide Catalyst Prepared by Thermal Decomposition of Heteronuclear Cyano Complex Precursors 81Syuhei Yamaguchi, Hiroki Wada, Takahisa Okuwa, and Hidenori Yahiro GEOPOLYMERS, INORGANIC POLYMER CERAMICS, AND SUSTAINABLE COMPOSITES Nanoparticles Seeded Geopolymers 93Matteo Pernechele, Tom Troczynski, and Marek Pawlik NH3BH3 and NaBH4 Enclosed in Geopolymers and Zeolites 105C. H. Rüscher, L. Schomborg, Z. Assi, and J. C. Buhl MACROPOROUS CERAMICS FOR ENVIRONMENTAL AND ENERGY APPLICATIONS Silicon Carbide Membranes for Water Filtration Applications 121Melanie Kuhn, Abhaya Bakshi, Eric Sheridan, Fabiano Rodrigues, Adrien Vincent, Malte Moeller, and Ronald Neufert Fabrication of Porous Ceramics with Cylindrical Pores and Incorporating Pores by Unidirectional Solidification Process 129Shunkichi Ueno and Jun-Woo Lee ADVANCED SENSORS FOR ENERGY, ENVIRONMENT, AND HEALTH APPLICATIONS Printed Cantilevers and MOS Gas Sensors for Hazardous Gas Detection at Room Temperature 139Hélène Debéda, Van Son Nguyen, Fernando Almazán, Maria Pina Pilar, Véronique Jubéra, and Claude Lucat Sensing Characterization of the MOS Micro Gas Sensor Array on Gas Mixture 147Bum-Joon Kim and Jung-Sik Kim Author Index 159

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Book SynopsisA comprehensive resource to the origin, properties, and analysis of natural gas and its constituents Handbook of Natural Gas Analysis is a comprehensive guide that includes information on the origin and analysis of natural gas, the standard test methods, and procedures that help with the predictability of gas composition and behavior during gas cleaning operations and use. The authora noted expert on the topicalso explores the properties and behavior of the various components of natural gas and gas condensate. All chapters are written as stand-alone chapters and they cover a wealth of topics including history and uses; origin and production; composition and properties; recovery, storage, and transportation; properties and analysis of gas stream and gas condensate. The text is designed to help with the identification of quality criteria appropriate analysis and testing that fall under the umbrella of ASTM International. ASTM is an organization that is recognized globally across bordeTable of ContentsAbout the Author ix Preface xi Part I Origin and Properties 1 1 History and Background 3 1.1 Introduction 3 1.2 History, Use, and the Need for Analysis 5 1.3 Reservoirs 14 1.4 Conventional Gas 17 1.5 Unconventional Gas 26 1.6 Natural Gas and Energy Security 42 1.7 Natural Gas Regulations 44 References 51 2 Origin and Production 57 2.1 Introduction 57 2.2 Origin 62 2.3 Reservoirs 65 2.4 Reservoir Fluids 71 2.5 Production 75 2.6 Environmental Aspects 84 References 88 3 Storage and Transportation 93 3.1 Introduction 93 3.2 Storage 95 3.3 Storage Facilities 100 3.4 Transportation 104 References 121 4 Gas Cleaning 125 4.1 Introduction 125 4.2 Gas Streams 130 4.3 Water Removal 139 4.4 Liquids Removal 148 4.5 Nitrogen Removal 150 4.6 Acid Gas Removal 150 4.7 Enrichment 153 4.8 Epilog 154 References 160 Part II Analysis 167 5 Sampling and Measurement 169 5.1 Introduction 169 5.2 Sampling 174 5.3 Volume Measurement 196 5.4 Method Validation 199 5.5 Quality Control and Quality Assurance 205 References 210 6 Analytical Methods 215 6.1 Introduction 215 6.2 Chemical and Physical Analyses 216 6.3 Chromatographic Analyses 235 6.4 Spectroscopic Analyses 236 6.5 Molecular Weight 243 6.6 Instability and Incompatibility 244 6.7 Use of the Data 246 References 250 7 Constituents of Gas Streams 259 7.1 Introduction 259 7.2 Methane 264 7.3 Ethane 273 7.4 Propane 277 7.5 Butane 282 7.6 Olefins and Diolefins 287 7.7 Gas Hydrates 290 7.8 Other Gases 298 References 304 8 Properties of Gas Streams 311 8.1 Introduction 311 8.2 Composition 316 8.3 Properties 337 8.4 Environmental Effects 369 References 371 9 Analysis of Gas Streams 379 9.1 Introduction 379 9.2 Types of Gases 381 9.3 Analytical Methods 401 9.4 Properties of Gases 409 References 438 10 Properties and Analysis of Gas Condensate 447 10.1 Introduction 447 10.2 Types of Condensate 457 10.3 Production 459 10.4 Composition and Properties 462 10.5 Test Methods 469 References 497 Conversion Factors 511 Glossary 513 Index 539

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Book SynopsisPHOTOVOLTAIC MANUFACTURING This book covers the state-of-the-art and the fundamentals of silicon wafer solar cells manufacturing, written by world-class researchers and experts in the field. High quality and economic photovoltaic manufacturing is central to realizing reliable photovoltaic power supplies at reasonable cost. While photovoltaic silicon wafer manufacturing is at a mature, industrial and mass production stage, knowing and applying the fundamentals in solar manufacturing is essential to anyone working in this field. This is the first book on photovoltaic wet processing for silicon wafers, both mono- and multi-crystalline. The comprehensive book provides information for process, equipment, and device engineers and researchers in the solar manufacturing field. The authors of the chapters are world-class researchers and experts in their field of endeavor. The fundamentals of wet processing chemistry are introduced, covering etching, texturing, cleaning an

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Book SynopsisIncluding recent advances and historically important catalysts, this book overviews methods for developing and applying polymerization catalysts dealing with polymerization catalysts that afford commercially acceptable high yields of polymer with respect to catalyst mass or productivity. Contains the valuable data needed to reproduce syntheses or use the catalyst for new applications Offers a guide to the design and synthesis of catalysts, and their applications in synthesis of polymers Includes the information essential for choosing the appropriate reactions to maximize yield of polymer synthesized Presents new chapters on vanadium catalysts, Ziegler catalysts, laboratory homopolymerization, and copolymerizationTable of ContentsNotes on Contributors xvii Preface xxix Acknowledgments xxxiii 1 Industrial Metal Alkyls and Their Use in Polyolefin Catalysts 1Dennis B. Malpass 1.1 Introduction 1 1.2 Metal Alkyls in Ziegler–Natta Catalysts 2 1.3 Aluminum Alkyls 4 1.4 Manufacturers of Aluminum Alkyls 10 1.5 Pricing and Selection Criteria for Aluminum Alkyls 11 1.6 Methylaluminoxanes 13 1.7 Magnesium Alkyls 18 1.8 Organoboron Compounds 24 1.9 Organozinc Compounds 26 References 27 2 Porous Silica in Transition Metal Polymerization Catalysts 31Thomas J. Pullukat and Robert E. Patterson 2.1 Introduction 31 2.2 Production of Silica Gel Catalysts 33 2.3 Influence of Silica Gel Properties and Polymerization Conditions on Catalyst Performance 36 2.4 Conclusions 52 References 53 3 Activator Supports for Metallocene and Related Catalysts 57Ray Hoff 3.1 Introduction 57 3.2 Activator Support Studies 58 3.3 Activator Support Patents 60 3.4 Conclusion 62 References 64 4 Computational Modeling of Polymerization Catalysts 67Monika Srebro Hooper and Artur Michalak 4.1 Introduction 67 4.2 Computational Modeling of Chemical Reactions 68 4.3 Modeling the Catalyst Properties and the Polymerization Processes 76 4.4 Concluding Remarks 116 Acknowledgment 117 References 117 5 Computational Studies of Chromium: Silica Catalysts 131Zhen Liu and Boping Liu 5.1 Introduction 131 5.2 Mechanistic Proposals for Phillips Catalyst 132 5.3 Theoretical Study on Phillips Catalyst 137 5.4 The Limitation of the Current Computations and a Prospect for the Future 156 References 157 6 Laboratory Reactors and Procedures for Catalyst Evaluation 161Rinaldo Schiffino 6.1 Introduction 161 6.2 Setup in the Fume Hood 162 6.3 Autoclave Reactors and Safety Relief Devices 163 6.4 Purification Methods 164 6.5 Modular Reactor System 165 6.6 Catalyst Addition 168 6.7 Temperature Control 170 6.8 Autoclave Reactor Setup 172 6.9 Copolymerization 173 6.10 Gas-Phase Laboratory Reactors 175 References 176 7 Scale-Up of Catalyst Recipes to Commercial Production 177Chung Ping Cheng 7.1 Introduction 177 7.2 Fundamental of Process Scale-Up 178 7.3 Considerations in Scaling Up a Laboratory Recipe 180 7.4 A Modern Polymerization Catalyst Production Facility 182 7.5 Other Scale-Up Considerations 187 References 187 8 Supported Titanium/Magnesium Ziegler Catalysts for the Production of Polyethylene 189Yury V. Kissin, Thomas E. Nowlin, and Robert I. Mink 8.1 Introduction 189 8.2 Particle-Form Technology 192 8.3 General Architecture and Preparation of Supported Catalysts 193 8.4 Nonuniformity of Active Centers in Supported Ziegler Catalysts 205 8.5 Kinetics and Mechanism of Ethylene Polymerization Reactions with Ziegler Catalysts 209 8.6 Kinetic Interpretation of Ethylene Polymerization Reactions 217 8.7 Active Centers in Ziegler Catalysts 221 References 224 9 Stereospecific α-Olefin Polymerization with Heterogeneous Catalysts 229John Severn and Robert L. Jones, JR 9.1 Introduction 229 9.2 Traditional Ziegler–Natta Catalyst Systems 241 9.3 Stereospecific Single Site Catalysts 266 9.4 Conclusion 295 References 296 10 Olefin Polymerization by Vanadium Complex Catalysts 313Kotohiro Nomura and Xiaohua Hou 10.1 Introduction: Classical Ziegler-Type Vanadium Catalyst Systems 313 10.2 Vanadium Complexes Designed for Olefin Coordination Insertion Polymerization 315 10.3 Outlook 332 References 333 11 MgCl2-Supported Ti Catalysts for the Production of Morphology-Controlled Polyethylene 339Long Wu and Sieghard Wanke 11.1 Introduction 339 11.2 Preparation of Morphology-Controlled MgCl2/TiCl4 Catalysts 342 11.3 Polymerization Processes 345 11.4 Effect of Prepolymerization on Activity Profiles and Prepolymer Properties 349 11.5 Polymerization Behavior 358 11.6 Summary and Conclusions 364 References 365 12 Product Morphology in Olefin Polymerization with Polymer-Supported Metallocene Catalysts 369Long Wu and Sieghard Wanke 12.1 Introduction 369 12.2 Preparation of Polymer-Supported Metallocene Catalysts 371 12.3 Factors Affecting Morphology of Product Particles 379 12.4 Factors Affecting Product Morphology 389 12.5 Product Fines and Densities 394 12.6 Conclusions 396 References 396 13 A Review of the Phillips Chromium Catalyst for Ethylene Polymerization 401Max P. McDaniel 13.1 Historical and Commercial Background 401 13.2 Catalyst Preparation 404 13.3 Control of Catalyst Activity 414 13.4 Control of Molecular Weight and MW Distribution 439 13.5 Control of Crystallinity 482 13.6 Control of Elasticity 509 13.7 Concluding Remarks 542 References 546 14 Silica-Supported Silyl Chromate-Based Ethylene Polymerization Catalysts 573Kevin Cann 14.1 Introduction 573 14.2 Silyl Chromate Catalyst Development 573 14.3 Catalyst Structure 575 14.4 Polymerization Process 578 14.5 Product Characterization and Applications 579 14.6 Silica-Supported Reduced Silyl Chromate Catalyst Advancements 582 Acknowledgements 588 References 588 15 Late Transition Metal Catalyzed Co- and Terpolymerization of α-Olefins with Carbon Monoxide: Synthesis and Modification 591Timo M. J. Anselment, Manuela Zintl, Maria Leute, Rüdiger Nowack, and Bernhard Rieger 15.1 Introduction and Historical Overview 591 15.2 Polyketone Synthesis: General Concept and Mechanism 593 15.3 Influence of the Catalyst on the Polymer Structure in α-Olefin/CO Copolymerization Reactions 599 15.4 Other Olefins for the Copolymerization with CO 610 15.5 Chemical Modification of Polyketones 616 References 618 16 Ethylene Polymerization and α-Olefin Oligomerization Using Catalysts Derived from Phosphoranes and Ni(II) or Ni(0) Precursors 623Scott Collins 16.1 Introduction 623 16.2 Starting Materials 626 References 629 17 Overview of Ring-Opening Metathesis Polymerizations (ROMP) and Acyclic Diene Metathesis (ADMET) Polymerizations with Selected Ruthenium and Molybdenum Complexes 631Robert T. Mathers 17.1 Introduction 631 17.2 Ruthenium Catalysts 634 17.3 Molybdenum Complexes 646 17.4 Summary 651 References 651 18 Copolymerization of Ethylene with Conjugated Dienes 661Islem Belaid, Vincent Monteil, and Christophe Boisson 18.1 Introduction 661 18.2 ConventionalZiegler–Natta Catalysts 663 18.3 Group 4 Metallocene Systems 665 18.4 Group 4 Post-metallocene Catalysts 670 18.5 Vanadium Bis(imino)pyridyl Catalysts 673 18.6 Group 8-, 9-, and 10-Based Catalysts 674 18.7 Rare Earth Catalysts 675 18.8 Conclusion 686 References 687 Appendix A: Pyrophoricity of Metal Alkyls 693Dennis B. Malpass Appendix B: Rheological Terms for Polymerization Catalyst Chemists 705Gregory W. Kamykowski Index 711

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Book SynopsisThis book focuses on the chemistry of metallized and magnetic polymers, as well as the special applications of these materials. After an introductory section on the general aspects of the field, the types and uses of these polymers are detailed, followed by an overview of the testing methods. The book is divided equally into two parts metallized polymers and magnetic polymers and both parts follow the same structure: All methods of fabrication Properties and methods of measurement including standard test methods and interface properties Fields of applications Environmental issues including recycling and biodegradable polymers Table of ContentsPreface xi Part I Metallized Polymers 1 1 General Aspects 3 1.1 History 4 2 Methods of Fabrication 7 2.1 Methods for Metallizing 7 2.2 Welding 16 2.3 Molding 17 2.4 Special Aspects 22 2.5 Special Uses 37 3 Properties and Methods of Measurement 49 3.1 Standard Test Methods 49 3.2 Interface Properties 53 3.3 Combustion of Metallized Polymers 56 4 Fields of Application 61 4.1 Shielding Electromagnetic Interference 61 4.2 Microwave Components 63 4.3 Conductive Fibers 64 4.4 Intermetallic Layers 65 4.5 Metallized Polymer Mirror 66 4.6 In-Mold Metallized Polymer Articles 67 4.7 Camera Housing 68 4.8 Metallized Polymer Film Capacitors 70 4.9 Micro-fuel Cell 70 4.10 Printed Circuit Boards 71 4.11 Electrostatic Miniature Valve 87 4.12 Antennas 87 4.13 Gas Transmission 92 4.14 Micromechanical Sensor and Actuator Devices 93 4.15 Medical Uses 94 5 Environmental Issues 99 5.1 Recycling 99 5.2 Metallized Plastic Packages 100 5.3 Biodegradable Metallized Polymers 102 Part II Magnetic Polymers 103 6 General Aspects 105 6.1 General Aspects 106 6.2 Basic Issues of Magnetism 108 6.3 Types of Magnetic Organic Polymers 109 7 Methods of Fabrication 115 7.1 Preparation of Magnetic Polymer Particles 115 7.2 Special Types 124 8 Properties and Methods of Measurement 145 8.1 Standard Test Methods 145 8.2 Phase Diagram of Magnetic Polymers 146 8.3 Adsorption Mechanism of Amino-Functionalized Magnetic Polymers 147 8.4 Cyano-Bridged Coordination Polymers 147 8.5 Spin-Glass Behavior in Some Schilf-Base Co-containing Magnetic Polymers 148 8.6 Neutron Scattering from Magnetic Polymers 148 8.7 Shape-Memory Elfect 149 9 Fields of Application 151 9.1 Improvement of Drilling Performance 151 9.2 Electronic Uses 155 9.3 Biotechnology 174 9.4 Medical Uses 177 10 Environmental Issues 207 10.1 Analysis Methods 207 10.2 Magnetic Polymers in Water Treatment 213 Index 219 Acronyms 219 Chemicals 221 General Index 228

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Book SynopsisProviding engineers with the tools and skills to survive and become successful in the work place Gives experience-based, highly realistic guidance to a cross-section of young and even established engineersDelivers practical guidance and acts as a handy resource so that lessons do not have to be learned the hard way with numerous errors, and costly problemsIncludes real world examples and case studies from a 45 year veteran in the engineering fieldTable of ContentsAbout the Author xi Preface xiii Acknowledgments xv 1 Getting Ahead 1 1.1 Finding your Niche 1 1.2 Twenty Rules to Remember 5 1.3 Calculated Risk Versus Reward 8 1.4 Advancement 9 1.5 Learn from Observing Failures 10 1.6 Keep Good Records of what you have done 12 1.7 Flexibility in your Career 17 1.8 You’re Known for Your Work 17 1.9 Ethical Behavior in Engineering 19 1.10 Humor in the Workplace 20 1.11 Self-Preservation when Documenting your Analysis 21 1.12 Don’t be Overwhelmed 22 1.13 Providing Guidance to Others 23 1.14 The Technical and Managerial Ladder to Advancement 24 References 26 2 The Politics of Engineering 27 2.1 What to do 27 2.2 What not to do 28 2.3 Disenchantment with your Job 30 2.4 Conducting yourself in a Meeting 33 2.5 Organize and Prioritize 35 2.6 Do as much as you can for your Colleagues 36 2.7 The Catch 22 of Engineering Project Work 37 2.8 Arrogance, Humility, Favors, and Courtesies 38 2.9 Be Curious and Inquisitive 40 2.10 Striving for Perfection 43 References 44 3 Utilizing the Input from Others 45 3.1 Just out of College 45 3.2 Mentors and Colleagues 46 3.3 Interaction Between Disciplines 47 3.4 It’s Nice to be Appreciated 48 3.5 The Funny Look Test 49 3.6 Uncluttered Thinking 49 3.7 The Art of Visualization 51 3.8 The Importance of Alliances and Networking 52 References 53 4 Communicating Effectively 55 4.1 Speaking Effectively at Meetings 55 4.2 Effective Writing Skills 57 4.3 Learn to Listen 58 5 Problem Solving and Decision Making 61 5.1 Why is this Section Important? 61 5.2 The Simplest Solution First 62 5.3 The 80–20 Relationship 63 5.4 The Five WHY’s used in Problem Solving 65 5.5 Being the Devil’s Advocate 66 5.6 An Engineering Approach: Use the Scientific Method for Problem Solving 66 5.7 You Need to know the Whole Story 70 5.8 Failure Analysis and Accident Investigations Differ 72 5.9 Why Decision Making is Important in Engineering 73 5.10 Decision on Several Choices 74 5.11 The Importance of Personal Checklists 76 5.12 Confirmational Bias or Self-fulfilling Prophecies 78 References 79 6 How an Engineering Consultant can help your Company 81 6.1 Why Use a Consultant? 81 6.2 What a Consultant can do 82 6.3 The Cost of a Consultant 83 7 Consulting Engineering as a Career 85 7.1 Consulting as a Career 86 7.2 Compensation will Probably be less than you Expected 87 7.3 How much should my Billing Rate be? 88 7.4 The Job Contract 88 7.5 You must Understand the Companies’ Politics 88 7.6 Documenting the Consulting Effort 90 7.7 Useful Equipment for a Mechanical Engineering Consultant 90 7.8 Verifying an Analysis 91 8 Precautions on Purchasing First of its Kind Equipment 93 8.1 Initial Design Specifications 94 8.2 Question Everything and Understand the Design 94 8.3 Document all Changes and Trust no one 95 8.4 Assign Responsibilities 95 8.5 When things don’t Work as Expected 96 References 97 9 Useful Information to Consider 99 9.1 Various Types of Equipment and their Failure Loads 100 9.2 Cracking of Welds due to Cyclic Stresses 101 9.3 Remember to Consider all Forces and Moments 104 9.4 Phantom Failures: Some Failures are very Elusive 107 9.5 The Art of Hammer Tapping 108 9.6 Development of Some Simple Energy Equations 109 9.7 Maintaining Proficiency in your Analytical Abilities 111 9.8 Safety Concerns to be Aware of 115 9.9 Should I Pursue a Patent? 118 References 119 10 Case Histories using Analytical Models 121 10.1 Building an Analytical Model of a Material Processor 123 10.2 Determining the Loads on the Processor Structure 129 10.3 Determining the Life of the Processor 131 10.4 Discussion of Failure and Potential Fix of Processor 132 10.5 Understanding the Sloshing Equation 135 10.6 Failure of Agitator Coupling Bolts 138 10.7 Causes of Auger Feeder Screw Failures 140 10.8 Temperature of a Blocked in Centrifugal Pump on Bypass 141 10.9 Heat up Rate and Rubs on a Steam Turbine 143 10.10 Pneumatic Testing Dangers and Beware of Safe Distances 144 10.11 Containment of a Wrecked Internal Part 147 10.12 A Catastrophic Disaster 152 10.13 Why are Parts out of Tolerance on the Production Line? 155 10.14 Failures Caused by an Impact Force 157 10.15 Design of an Aircraft Tow 159 10.16 Shaft Failures and Crack Growth 162 References 166 11 Benefits of Continuing your Education 167 11.1 Benefits of an Advanced Degree 167 11.2 Importance on Selecting your Academic Advisor 168 11.3 Difference between an Engineer and a Scientist 170 11.4 Benefits of Continued Education 170 Reference 171 12 Closing Guidance 173 12.1 Determine what you want to Achieve 173 12.2 Most of my Success was due to others 174 12.3 It’s not so much what you do as what you Haven’t Done 174 12.4 Become a Mentor to Someone 174 12.5 Remembering those before us 176 12.6 Thoughts on the Future of Engineering 178 References 180 Index 181

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Book SynopsisAddresses threats to homeland security from terrorism and emergency management from natural disasters Threats to Homeland Security, Second Edition examines the foundations of today''s security environment, from broader national security perspectives to specific homeland security interests and concerns. It covers what we protect, how we protect it, and what we protect it from. In addition, the book examines threats from both an international perspective (state vs non-state actors as well as kinds of threat capabilitiesfrom cyber-terrorism to weapons of mass destruction) and from a national perspective (sources of domestic terrorism and future technological challenges, due to globalization and an increasingly interconnected world). This new edition of Threats to Homeland Security updates previous chapters and provides new chapters focusing on new threats to homeland security today, such as the growing nexus between crime and terrorism, domestic and iTable of ContentsNotes on Contributors xiii Preface xvi Acknowledgments xxiii 1. The Changing Nature of National Security 1 Introduction 2 1.1 Foundations of American Security Policy 2 1.1.1 Geopolitics at the Beginning of the Twentieth Century 3 1.1.2 National Security and World War II 6 Self-Check 8 1.2 Security in the Cold War Era 8 1.2.1 Bipolarity versus Multipolarity 10 1.2.2 Containing Communism 12 1.2.3 Non-Communist Threats 16 Self-Check 17 1.3 Security in the Post-Cold War Era: Pre-9/11 17 1.3.1 Changing Threats 18 1.3.2 New Conflicts, New Responses 18 1.3.3 Reorganization of National Security Policy 20 Self-Check 21 1.4 National Security and Terrorism: Post-9/11 21 1.4.1 Globalization and Geopolitics 22 1.4.2 The Bush Administration’s Global War on Terrorism 24 1.4.3 The Obama Administration’s New National Security Strategy 26 1.4.4 Homeland Security and National Security 27 Self-Check 28 Summary 29 Key Terms 30 Assess Your Understanding 35 Summary Questions 35 Applying This Chapter 36 You Try It 37 2. Reassessing the All-Hazards Perspective 38 Introduction 39 2.1 Natural Disasters: Things We Can Expect to Happen 39 2.1.1 The History of Natural Disasters in the United States 40 2.1.2 Natural Disaster Response 41 2.1.3 Natural Disasters in a Post-9/11 World 44 Self-Check 46 2.2 Accidental Hazards: Things We Can Try to Prevent 46 2.2.1 History of Accidental Hazards in the United States 46 2.2.2 Accidental Hazard Prevention and Response 48 2.2.3 Accidental Hazards in a Post-9/11 World 50 Self-Check 51 2.3 Man-Made Hazards: Things We Hope Don’t Happen 51 2.3.1 History of Man-Made Disasters Caused by Human Error in the United States 52 2.3.2 Man-Made Disaster Mitigation and Response 53 2.3.3 Man-Made Disasters in a Post-9/11 World 55 Self-Check 56 2.4 Reassessing the All-Hazards Perspective and Disasters 56 Self-Check 59 Summary 59 Key Terms 60 Assess Your Understanding 62 Summary Questions 62 Applying This Chapter 63 You Try It 64 3. Us Homeland Security Interests 65 Introduction 66 3.1 What Is Homeland Security? 66 3.1.1 The Merging of Traditions 67 3.1.2 Prevailing Homeland Security Theories 71 Self-Check 76 3.2 Additional Context for Homeland Security 77 3.2.1 Urban Versus Rural 77 3.2.2 Technologies 78 3.2.3 Political and Economic Factors 79 3.2.4 Security Versus Civil Liberties 81 Self-Check 84 3.3 Homeland Security Enterprise 84 3.3.1 Federal Partners 85 3.3.2 State and Local Partners 90 3.3.3 Whole Community Partners 91 Self-Check 97 3.4 Revisiting the All-Hazards Approach 98 Self-Check 100 Summary 101 Key Terms 101 Assess Your Understanding 105 Summary Questions 105 Applying This Chapter 106 You Try It 108 4. Understanding Threat Assessments 109 Introduction 110 4.1 Background on Threat Assessments and Risk Management 111 4.1.1 Risk Management and Threat Assessment from the All-Hazards Perspective 111 4.1.2 Assessing Threats and Civil Liberties 113 4.1.3 Homeland Security Risk Management Doctrine 114 Self-Check 116 4.2 A General Framework of Analysis: What to Assess 116 4.2.1 The Disaster Impact Process 117 4.2.2 Pre-Impact Conditions 117 4.2.3 Event-Specific Conditions 120 4.2.4 Final Thoughts on What to Assess 122 Self-Check 122 4.3 A Matrix Approach: How to Assess 123 4.3.1 Risk Matrices 124 4.3.2 Composite Exposure Indicator 127 4.3.3 HAZUS 128 4.3.4 Vulnerability Assessments 128 4.3.5 Threat and Hazard Identification and Risk Assessment 129 4.3.6 Final Thoughts on How to Assess 130 Self-Check 133 4.4 The Whole-Community Approach of the National Preparedness System 133 4.4.1 Prevention 136 4.4.2 Protection 137 4.4.3 Mitigation 137 4.4.4 Response 139 4.4.5 Recovery 140 Self-Check 143 Summary 144 Key Terms 144 Assess Your Understanding 148 Summary Questions 148 Applying This Chapter 148 You Try It 150 5. Critical Infrastructure Security, Emergency Preparedness, and Operational Continuity .151 Introduction 152 5.1 Defining Critical Infrastructure 152 5.1.1 Defining the Sectors 153 5.1.2 Information Sharing and Analysis Centers 154 Self-Check 157 5.2 Known Threats to Critical Infrastructure 157 5.2.1 Natural Hazard Threats 158 5.2.2 Terrorism and Human Threats 162 5.2.3 Nontraditional Aviation Technology (NTAT) 165 5.2.4 Cybersecurity Threats 166 Self-Check 168 5.3 Risk Identification, Analysis, and Management 169 5.3.1 Inventory and Critical Assets and Functions 169 5.3.2 Intelligence Functions .171 Self-Check 175 5.4 Emergency Operations and Continuity of Planning 175 5.4.1 Critical Infrastructure Protection Planning and the All-Hazards Perspective 175 5.4.2 Crisis Management Team 177 Self-Check 178 Summary 178 Key Terms 179 Assess Your Understanding 181 Summary Questions 181 Applying This Chapter 181 You Try It 182 6. State Actors and Terrorism 183 Introduction 184 6.1 Defining Terrorism and Other Forms of Collective Violence 184 6.1.1 Legal Definitions of Terrorism 190 6.1.2 The Heyday of State-Sponsored Terrorist Groups 193 6.1.3 The End of the Cold War, Globalization, and the Decline of State Sponsorship 195 Self-Check 197 6.2 Contemporary State Sponsors of Terrorism 197 6.2.1 Iran 199 6.2.2 Sudan 201 6.2.3 Syria 203 Self-Check 205 6.3 International and Domestic Responses to State-Sponsored Terror 205 6.3.1 United Nations Security Council (UNSC) 205 6.3.2 Other Multilateral Efforts 206 6.3.3 US International Counterterrorism Strategy 208 Self-Check 210 Summary 211 Key Terms 214 Assess Your Understanding 216 Summary Questions 216 Applying This Chapter 217 You Try It 218 7. Non-State Actors and Terrorism 219 Introduction 220 7.1 Explaining the Different Types of Non-state Actors 220 7.1.1 Defining Violent Non-state Actors .220 7.1.2 Defining Non-state Terrorism 221 7.1.3 Terrorism and “Terrorists” 221 Self-Check 223 7.2 Non-state Terrorism as a Security Threat 223 7.2.1 Reasons for the Prevalence of Violent Non-state Actors 224 7.2.2 Non-state Terrorism as a Domestic and International Threat 225 7.2.3 Assessing the Threat Posed by Violent Non-state Actors 227 Self-Check 228 7.3 The Typology of Violent Non-state Actors 228 7.3.1 Political/Ideological Terrorism 231 7.3.2 Ethno-Nationalist or Separatist Terrorism 236 7.3.3 Religious Terrorism 240 7.3.4 Motivational Trends in Non-state Terrorism 247 Self-Check 248 7.4 Methods of Non-state Violence 248 7.4.1 Conventional and Unconventional Methods of Non-state Violence 249 Self-Check 255 7.5 International Strategies for Countering Non-state Violence 255 7.5.1 The Military Option 257 7.5.2 The Political Option 259 Self-Check 260 Summary 261 Key Terms 261 Assess Your Understanding 265 Summary Questions 265 Applying This Chapter 266 You Try It 267 8. Cyber-Crime, Cyber-Terrorism, and Cyber-Warfare 268 Introduction 269 8.1 The Cyber Threat 269 8.1.1 Defining Cyber-Crime, Cyber-Terrorism, and Cyber-Warfare 271 8.1.2 What Can Cyber-Crime, Cyber-Terrorism, and Cyber-Warfare Do? 272 Self-Check 275 8.2 8.2 Assessing Capability and Intent 275 8.2.1 Who Can Conduct Cyber-Crime, Cyber-Terrorism, and Cyber-Warfare? 275 8.2.2 Tools of Cyber-Terrorism 279 Self-Check 281 8.3 Assessing Consequences 281 8.3.1 Why America Is Vulnerable to Cyber-Attacks 283 8.3.2 The Impact of a Cyber-Terrorist Attack 285 Self-Check 286 8.4 Determining Defenses against Cyber-Crime , Cyber-Terrorism, and Cyber-Warfare 286 8.4.1 The Government and Private Sector Response to Threats in Cyberspace 288 8.4.2 The US Military Response to Cyber-Warfare 291 8.4.3 The New Battlefields of Cyber-Warfare 295 Self-Check 296 Summary 296 Key Terms 297 Assess Your Understanding 301 Summary Questions 301 Applying This Chapter 302 You Try It 303 9. Weapons of Mass Destruction and Disruption 304 Introduction 305 9.1 Chemical Weapons and Their Consequences 305 9.1.1 History of Chemical Weapons Use 307 9.1.2 Chemical Agents and Their Effects 308 9.1.3 The Threat of Chemical Weapons and Terrorism 311 Self-Check 313 9.2 Biological Weapons and Their Consequences 313 9.2.1 History of Biological Weapons Use 313 9.2.2 Biological Agents and Their Effects 315 9.2.3 The Threat of Biological Weapons and Terrorism 316 Self-Check 319 9.3 Nuclear and Radiological Weapons and Their Consequences 319 9.3.1 Radiological Materials and Their Effects 321 9.3.2 History of Nuclear Material Discoveries and Weapons Development 323 9.3.3 The Threat of Nuclear Weapons and Terrorism 324 9.3.4 Managing Radiological Incidents and Their Aftermath 327 Self-Check 329 Summary 329 Key Terms 330 Assess Your Understanding 332 Summary Questions 332 Applying This Chapter 333 You Try It 334 10. Domestic Terrorism 335 Introduction 336 10.1 Terrorism in the United States: Across Time and Space 337 10.1.1 Eighteenth- to Twentieth-Century Terrorism 337 10.1.2 Late Twentieth-Century Terrorism 339 10.1.3 Early Twenty-First-Century Terrorism 340 Self-Check 344 10.2 Homegrown “Leaderless Resistance” and Foreign Terrorists 344 10.2.1 Understanding Leaderless Resistance 345 10.2.2 Origins of Lone Wolves 346 10.2.3 Assessing the Lone-Wolf Threat in the United States 347 10.2.4 Foreign Terrorist Organizations 349 10.2.5 Foreign Organizers 350 Self-Check 352 10.3 Crime and Terrorism 353 10.3.1 Why Would Terrorism and Crime Converge? 353 10.3.2 Where Terrorism and Crime Converge and Why It Matters 354 Self-Check 356 10.4 The US Domestic Response to Terrorism 356 10.4.1 Countering Violent Extremism (CVE) 357 10.4.2 The Lead Agency Approach and Counterterrorism 359 10.4.3 Police and Counterterrorism 360 Self-Check 364 Summary 365 Key Terms 366 Assess Your Understanding 369 Summary Questions 369 Applying This Chapter 370 You Try It 371 11. Enablers of Mass Effects 372 Introduction 373 11.1 The Power of Information and Ideas 373 11.1.1 Ideas and Terrorism 376 11.1.2 Ideas and Disasters 378 Self-Check 381 11.2 Media and Terrorism 381 11.2.1 The Internet and Terrorism 382 11.2.2 Social Media, Terrorism, and Disaster Response 386 Self-Check 395 11.3 The Role of Educational Institutions 395 11.3.1 Alternative Educational Institutions 396 11.3.2 International Students in the United States 396 Self-Check 399 Summary 399 Key Terms 400 Assess Your Understanding 402 Summary Questions 402 Applying This Chapter 402 You Try It 404 12. Homeland Security Intelligence 405 Introduction 406 12.1 Intelligence and Homeland Security 406 12.1.1 NYPD Surveillance of Muslim Communities 406 12.1.2 What Is Intelligence? 407 12.1.3 The Limited Historical Role of Intelligence in Domestic Affairs 411 Self-Check 412 12.2 The Structure of Intelligence Organizations 412 12.2.1 National-Level Intelligence Organizations 414 12.2.2 The Department of Homeland Security and Intelligence 418 12.2.3 State, Local, and Tribal Government 420 12.2.4 The Private Sector 422 12.2.5 Intelligence Collaboration 423 Self-Check 427 12.3 Methods of Collecting Intelligence Information 427 12.3.1 Human Intelligence Collection 429 12.3.2 Open-Source Intelligence Collection 430 12.3.3 Technical Intelligence Collection .432 Self-Check 436 12.4 Challenges to Homeland Security Intelligence 436 12.4.1 Balancing Liberty and Security in Homeland Security Intelligence 437 12.4.2 Intelligence Support to Disaster Relief 440 Self-Check 441 Summary 441 Key Terms 443 Assess Your Understanding 446 Summary Questions 446 Applying This Chapter 447 You Try It 448 13. Homeland Security Planning and Resources 449 Introduction 450 13.1 Basics of Homeland Security Planning 450 13.1.1 Planning for Homeland Security Activities 451 13.1.2 Quadrennial Homeland Security Review 452 13.1.3 Expanding on the QHSR: The DHS Strategic Plan 454 13.1.4 Final Thoughts on the QHSR 456 Self-Check 457 13.2 Coordinating Homeland Security Planning 457 13.2.1 The Six-Step Planning Process 458 13.2.2 Performance Measurement: The Challenging “Art” of Measuring Success in Homeland Security Planning 461 13.2.3 SMART Measurement 462 Self-Check 463 13.3 The Logic Model: A Process Framework to Visually Demonstrate the Performance Measurement Process 463 13.3.1 Components of a Logic Model 464 13.3.2 Challenges in Performance Measurement 467 Self-Check 467 13.4 Education in Homeland Security .468 13.4.1 Homeland Security Education Core Curricula 468 13.4.2 Research in Homeland Security: Trends and Future Thoughts 471 Self-Check 473 Summary 473 Key Terms 474 Assess Your Understanding 476 Summary Questions 476 Applying This Chapter 476 You Try It 478 References 479 Index 538

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Book SynopsisThe application of knowledge of drug disposition, and skills in pharmacokinetics, are crucial to the development of new drugs and to a better understanding of how to achieve maximum benefit from existing ones.Trade Review"Another book on PK? Yes and there should be and it should be DD & PK. It is good, unique, and does fill a currently unmet need for those working in the xenobiotic arena. DD & PK is just like the perfect mystery novel—the one “you just can’t put down.” However, unlike a mystery novel which requires only one reading to find the answer, the reader of DD & PK will learn more than an answer to a single question. The reader will find many solutions to a wide variety of mysterious problems associated with the time course and actions of xenobiotics." International Journal of Toxicology, September 2018, Reviewed by John A. Budny, PhD, President, PharmaCal, Ltd"This book has many innovations that make a welcome addition to the bookshelves of a wide range of pharmaceutical scientists. The effective use of figures and tables to summarize and clarify a wide range of issues is to be commended, as are the learning objectives at the start of the chapter coupled with the summary at the end providing a succinct way in understanding the objectives of the chapter and together with links to a website provides accessibility for all from the neophyte pharmacokineticist to the consultant physician. A book all in the Pharma industry should be aware of." Int. J. of Pharmacokinetics"Overall, the book is written in a professional manner, the explanations are clear and simple, and the authors use drug-specific PK data to reinforce the critical concepts of each chapter..." One particular strength of this book is its excellent use of full color figures/pictures, as well as clinically relevant drug examples, both of which reinforce the concepts described throughout"...." In conclusion, the principles reviewed in this book and companion website provide a strong introductory knowledge base in PK, which should prepare readers to perform PK calculations, interpret PK literature, and consider PK properties when studying the clinical use of drugs." CPT, Aug 17"In summary, this is an excellent textbook for students new to the field of pharmaceutics and medical, pharmacy, and veterinary students, particularly those who envision a career in drug development research in either academia or industry." Veterinary Pathology Review, 2018Table of ContentsPreface ix Companion Website Directions xii 1. Introduction: Basic Concepts 1 1.1 Introduction 1 1.2 Drugs and drug nomenclature 3 1.3 Law of mass action 4 1.4 Ionization 9 1.5 Partition coefficients 12 1.6 Further reading 14 2. Drug Administration and Distribution 15 2.1 Introduction 15 2.2 Drug transfer across biological membranes 16 2.3 Drug administration 22 2.4 Drug distribution 31 2.5 Plasma protein binding 38 2.6 Further reading 43 2.7 References 43 3. Drug Metabolism and Excretion 45 3.1 Introduction 45 3.2 Metabolism 46 3.3 Excretion 58 3.4 Further reading 69 3.5 References 69 4. Single‐compartment Pharmacokinetic Models 71 4.1 Introduction 72 4.2 Systemic clearance 74 4.3 Intravenous administration 76 4.4 Absorption 79 4.5 Infusions 87 4.6 Multiple doses 90 4.7 Non‐linear kinetics 94 4.8 Relationship between dose, and onset and duration of effect 98 4.9 Limitations of single‐compartment models 99 4.10 Further reading 100 4.11 References 100 5. Multiple‐compartment and Non‐compartment Pharmacokinetic Models 102 5.1 Multiple‐compartment models 102 5.2 Non‐compartmental models 117 5.3 Population pharmacokinetics 121 5.4 Curve fitting and the choice of most appropriate model 122 5.5 Further reading 124 5.6 References 124 6. Kinetics of Metabolism and Excretion 126 6.1 Introduction 126 6.2 Metabolite kinetics 127 6.3 Renal excretion 137 6.4 Excretion in faeces 142 6.5 Further reading 143 6.6 References 144 7. Clearance, Protein Binding and Physiological Modelling 145 7.1 Introduction 145 7.2 Clearance 146 7.3 Physiological modelling 158 7.4 Further reading 161 7.5 References 161 8. Quantitative Pharmacological Relationships 162 8.1 Pharmacokinetics and pharmacodynamics 162 8.2 Concentration–effect relationships (dose–response curves) 163 8.3 Time‐dependent models 169 8.4 PK‐PD modelling 173 8.5 Further reading 177 8.6 References 177 9. Pharmacokinetics of Large Molecules 178 9.1 Introduction 178 9.2 Pharmacokinetics 179 9.3 Plasma kinetics and pharmacodynamics 184 9.4 Examples of particular interest 185 9.5 Further reading 191 9.6 References 191 10. Pharmacogenetics and Pharmacogenomics 192 10.1 Introduction 192 10.2 Methods for the study of pharmacogenetics 193 10.3 N‐Acetyltransferase 194 10.4 Plasma cholinesterase 197 10.5 Cytochrome P450 polymorphisms 199 10.6 Alcohol dehydrogenase and acetaldehyde dehydrogenase 202 10.7 Thiopurine methyltransferase 202 10.8 Phase 2 enzymes 202 10.9 Transporters 204 10.10 Ethnicity 206 10.11 Pharmacodynamic differences 206 10.12 Personalized medicine 208 10.13 Further reading 209 10.14 References 209 11. Additional Factors Affecting Plasma Concentrations 211 11.1 Introduction 211 11.2 Pharmaceutical factors 213 11.3 Sex 214 11.4 Pregnancy 218 11.5 Weight and obesity 220 11.6 Food, diet and nutrition 225 11.7 Time of day 226 11.8 Posture and exercise 228 11.9 Further reading 231 11.10 References 231 12. Effects of Age and Disease on Drug Disposition 233 12.1 Introduction 233 12.2 Age and development 234 12.3 Effects of disease on drug disposition 242 12.4 Assessing pharmacokinetics in special populations 256 12.5 Further reading 257 12.6 References 258 13. Drug Interactions and Toxicity 260 13.1 Introduction 260 13.2 Drug interactions 261 13.3 Toxicity 273 13.4 Further reading 282 13.5 References 282 14. Perspectives and Prospects: Reflections on the Past, Present and Future of Drug Disposition and Pharmacokinetics 284 14.1 Drug disposition and fate 284 14.2 Pharmacodynamics 286 14.3 Quantification of drugs and pharmacokinetics 286 14.4 The future 289 14.5 Postscript 291 14.6 Further reading 292 14.7 References 292 Appendices 1 Mathematical Concepts and the Trapezoidal Method 293 2 Dye Models to Teach Pharmacokinetics 300 3 Curve Fitting 303 4 Pharmacokinetic Simulations 307 Index 312

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Book SynopsisPresents standard numerical approaches for solving common mathematical problems in engineering using Python. Covers the most common numerical calculations used by engineering students Covers Numerical Differentiation and Integration, Initial Value Problems, Boundary Value Problems, and Partial Differential Equations Focuses on open ended, real world problems that require students to write a short report/memo as part of the solution process Includes an electronic download of the Python codes presented in the book Table of ContentsPreface xi About the Companion Website xv 1 Problem Solving in Engineering 1 1.1 Equation Identification and Categorization 4 1.1.1 Algebraic versus Differential Equations 4 1.1.2 Linear versus Nonlinear Equations 5 1.1.3 Ordinary versus Partial Differential Equations 6 1.1.4 Interpolation versus Regression 8 Problems 10 Additional Resources 11 References 11 2 Programming with Python 12 2.1 Why Python? 12 2.1.1 Compiled versus Interpreted Computer Languages 13 2.1.2 A Note on Python Versions 14 2.2 Getting Python 15 2.2.1 Installation of Python 17 2.2.2 Alternative to Installation: SageMathCloud 18 2.3 Python Variables and Operators 19 2.3.1 Updating Variables 21 2.3.2 Containers 23 2.4 External Libraries 25 2.4.1 Finding Documentation 27 Problems 28 Additional Resources 29 References 30 3 Programming Basics 31 3.1 Comparators and Conditionals 31 3.2 Iterators and Loops 34 3.2.1 Indentation Style 39 3.3 Functions 39 3.3.1 Pizza Example 43 3.3.2 Print Function 44 3.4 Debugging or Fixing Errors 45 3.5 Top 10+ Python Error Messages 45 Problems 47 Additional Resources 49 References 49 4 External Libraries for Engineering 51 4.1 Numpy Library 51 4.1.1 Array and Vector Creation 51 4.1.2 Array Operations 55 4.1.3 Getting Helping with Numpy 55 4.1.4 Numpy Mathematical Functions 56 4.1.5 Random Vectors with Numpy 57 4.1.6 Sorting and Searching 57 4.1.7 Polynomials 58 4.1.8 Loading and Saving Arrays 59 4.2 Matplotlib Library 60 4.3 Application: Gillespie Algorithm 63 Problems 66 Additional Resources 68 References 68 5 Symbolic Mathematics 70 5.1 Introduction 70 5.2 Symbolic Mathematics Packages 71 5.3 An Introduction to SymPy 72 5.3.1 Multiple Equations 75 5.4 Factoring and Expanding Functions 76 5.4.1 Equilibrium Kinetics Example 77 5.4.2 Partial Fraction Decomposition 78 5.5 Derivatives and Integrals 78 5.5.1 Reaction Example 79 5.5.2 Symbolic Integration 80 5.5.3 Reactor Sizing Example 80 5.6 Cryptography 81 Problems 83 References 86 6 Linear Systems 87 6.1 Example Problem 88 6.2 A Direct Solution Method 91 6.2.1 Distillation Example 95 6.2.2 Blood Flow Network Example 95 6.2.3 Computational Cost 98 6.3 Iterative Solution Methods 100 6.3.1 Vector Norms 100 6.3.2 Jacobi Iteration 100 6.3.3 Gauss–Seidel Iteration 103 6.3.4 Relaxation Methods 105 6.3.5 Convergence of Iterative Methods 105 Problems 107 References 112 7 Regression 113 7.1 Motivation 113 7.2 Fitting Vapor Pressure Data 114 7.3 Linear Regression 115 7.3.1 Alternative Derivation of the Normal Equations 118 7.4 Nonlinear Regression 119 7.4.1 Lunar Disintegration 122 7.5 Multivariable Regression 126 7.5.1 Machine Learning 127 Problems 129 References 134 8 Nonlinear Equations 135 8.1 Introduction 135 8.2 Bisection Method 137 8.3 Newton’s Method 140 8.4 Broyden’s Method 143 8.5 Multiple Nonlinear Equations 146 8.5.1 The Point Inside a Square 149 Problems 151 9 Statistics 156 9.1 Introduction 156 9.2 Reading Data from a File 156 9.2.1 Numpy Library 157 9.2.2 CVS Library 159 9.2.3 Pandas 159 9.2.4 Parsing an Array 162 9.3 Statistical Analysis 162 9.4 Advanced Linear Regression 164 9.5 U.S. Electrical Rates Example 168 Problems 172 References 175 10 Numerical Differentiation and Integration 176 10.1 Introduction 176 10.2 Numerical Differentiation 176 10.2.1 First Derivative Approximation 177 10.2.2 Second Derivative Approximation 180 10.2.3 Scipy Derivative Approximation 181 10.3 Numerical Integration 183 10.3.1 Trapezoid Rule 185 10.3.2 Numerical Integration Using Scipy 186 10.3.3 Error Function 187 Problems 190 Reference 192 11 Initial Value Problems 193 11.1 Introduction 193 11.2 Biochemical Reactors 193 11.3 Forward Euler 195 11.4 Modified Euler Method 198 11.5 Systems of Equations 199 11.5.1 The Lorenz System and Chaotic Solutions 200 11.5.2 Second-Order Initial Value Problems 203 11.6 Stiff Differential Equations 203 Problems 206 References 210 12 Boundary Value Problems 211 12.1 Introduction 211 12.2 Shooting Method 212 12.3 Finite Difference Method 216 12.3.1 Reactions in Spherical Catalysts 220 Problems 224 Reference 226 13 Partial Differential Equations 227 13.1 Finite Difference Method for Steady-State PDEs 227 13.1.1 Setup 228 13.1.2 Matrix Assembly 230 13.1.3 Solving and Plotting 232 13.2 Convection 233 13.3 Finite Difference Method for Transient PDEs 236 Problems 241 Reference 244 14 Finite Element Method 245 14.1 A Warning 245 14.2 Why FEM? 246 14.3 Laplace’s Equation 246 14.3.1 The Mesh 246 14.3.2 Discretization 247 14.3.3 Wait! Why Are We Doing This? 248 14.3.4 FEniCS Implementation 248 14.4 Pattern Formation 249 Additional Resources 253 References 254 Index 255

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Book SynopsisThe second edition was to be written in order to keep both reader and student current in incident management. This was grounded in the fact that incident management systems are continually developing. These updates are needed to ensure the most recent and relevant information is provided to the reader. While the overall theme of the book will remain the same of the first edition, research and research-based case studies will be used to support the need for utilizing emergency incident management systems. Contemporary research in the use (and non-use) of an incident management system provides clear and convincing evidence of successes and failures in managing emergencies. This research provides areas where first responders have misunderstood the scope and use of an emergency incident management system and what the outcomes were. Contemporary and historical (research-based) case studies in the United States and around the globe have shown the consequences of not using emergencyTable of ContentsList of plates/figures/maps (include only where adds value to reader or requested by publisher) Foreword Preface Acknowledgments About the book Emergency Incident Management Systems i Emergency Incident Management Systems: ii Introduction xix Chapter 1 1 Introduction 1 The Revolutionary War 3 The Big Burn of 1910 5 The Military Connection 10 The Birth of IMS Method 14 No single person in charge 15 No formal protocols or policies 16 Conflicts and ego’s 17 Integrating multijurisdictional response 17 No collaborative organizational structure 18 Strictly enforced intra-agency command structure 18 Command based on home rule 19 Too many subordinates reporting to a single supervisor 19 Lack of accountability 19 No interagency planning 20 Lack of common terminology 21 A lack of interoperable communications 21 A lack of logistics 21 California’s Solution 22 Creating the Incident Command System 23 Evolution of IMS Methods 24 The “Big Three” of IMS 27 The Melding of the IMS Concepts of Today 27 The National Incident Management System (NIMS) 29 Presidential Directives 31 The NIMS Mandate 33 NIMS Updates/Changes (2008) and Training 35 NIMS Updates (2017) 38 Conclusion 38 Chapter 1 Quiz 40 Chapter 2 42 A Case Study of Incident Management 42 The Lifecycle of an Incident 42 Common Attributes of an Incident 43 The Importance of Knowledge and Experience 44 Case Study: Tokyo vs. Oklahoma City 45 Tokyo Subway Attack 46 Oklahoma City Bombing 50 Comparing and Contrasting these Incidents 61 Command 61 Control 62 Cooperation 64 Collaboration 66 Communications 68 Conclusions 70 Chapter 2 Quiz 72 Chapter 3 75 Incident Management in Other Countries 75 The United Nations 75 Australia 77 Bermuda 78 Burma/Myanmar 79 Bangladesh 79 Cambodia 82 Canada 82 China 83 Germany 83 Haiti 85 India 87 Indonesia 88 Iran 89 Iraq 91 Japan 92 Maldives 93 Malaysia 94 Mexico 94 New Zealand 94 Palestine 96 Philippine Islands 97 Singapore 99 United Kingdom 99 Vietnam 104 Other International Uses 104 Chapter 3 Quiz 106 Chapter 4 108 The Five C’s of Crisis (or incident) Management 108 Command 108 Situational Awareness 110 Control 112 Communications 115 Responder Communication Problems 115 Terminology 115 Interoperability 116 Current Communications Facilitation 116 Integrated Responder Communications 118 Creating a Communications Unit for Responders 119 Radio Networks 119 Stakeholder Communications 120 Government Stakeholders 121 Media Stakeholders 122 Social Media 123 Local Utility Companies 124 Local Businesses 125 Civic Organization and Advocacy Groups 126 Houses of Worship 127 Volunteer Organizations 128 Communications wrap-up 129 Cooperation and Coordination in the State of Illinois 131 Private Sector Cooperation and Coordination 133 Strengthening Intelligence/Information Sharing with Coordination and Cooperation 133 Cooperation and Coordination during an Active Incident 135 Joint Information Center-Cooperation and Coordination 135 Liaison Officer-Cooperation and Coordination 137 Agency Representative(s)-Cooperation and Coordination 138 Chapter 4 quiz 143 Chapter 5 145 The National Incident Management System (NIMS) 145 NIMS method Guiding Principles 146 Flexibility 146 Standardization 146 Unity of Effort 147 Key Terms and Definitions 148 Understanding Comprehensive, Flexible, and Adaptable 149 Comprehensive 150 Flexible 151 Adaptable 152 NIMS Components 153 The Importance of Preparedness with NIMS 154 Cycle of Preparedness as a part of NIMS incident management 154 NIMS Drills and Exercises to Support Preparedness 155 Seminar 156 Tabletop Exercise (TTX) 157 Games 158 Drills 159 Functional Exercises (FE’s) 159 Full-Scale Exercises (FSE’s) 160 NIMS Method of Resource Management Preparedness 163 *Identifying and Typing Resources* 171 *NIMS Method of Resource Management Response and Recovery* 174 *Identify the resource* 175 *Order and acquire the resource* 175 *Mobilize the resource* 175 *Track and report resources* 176 *Demobilize and reimburse the resource* 176 *Restock resource(s) in an incident* 176 *NIMS Multiagency Coordination Systems* 177 *Emergency Operations Centers (EOC)* 177 Conclusion 187 Chapter 5 Quiz 190 Chapter 6 194 An overview of The Incident Command System 194 Taking Control with ICS 195 Common Components of Incident Management Systems 200 The ICS component of NIMS 201 Incident Management System and NIMS Integration 204 Common Terminology 204 Modular organization 206 Integrated communications 207 Consolidated incident action plans 208 Manageable span of control 208 Predesignated incident facilities 209 Comprehensive resource management 209 Conclusion 209 Chapter 6 Quiz 212 Chapter 7 215 Command Staff, General Staff, and their Functions 215 Incident Commander (IC) 215 Unified Command 216 Command Staff 218 Safety Officer (SOFR) Function 220 Public Information Officer (PIO) 220 Liaison Officer (LOFR) 222 Investigations and Intelligence Gathering Officer (IO) alternative placement 223 General Staff 225 Hierarchal Structure (Figure 7.3) 226 Operations Section Chief (OSC) 226 Logistic Section Chief (LSC) 231 Planning Section Chief (PSC) 232 Finance/Administration Section Chief (FSC) 236 Investigations/Intelligence Section Chief (ISC) alternative placement 238 Expanding the Hierarchal Structure 239 Modular Organization Supports ICS Expansion 240 Organizational Flexibility 241 Conclusion 242 Chapter 7 Quiz 244 Chapter 8 247 Expanding the Operations Section 247 Operations Section 247 Operations Branches, Divisions/Groups, Strike Teams/Task Forces 250 Branches 250 Additional Branch Considerations 252 Divisions/Groups 257 Single Resources 259 Strike Team 260 Task Force 261 Conclusion 261 Chapter 8 Quiz 264 Chapter 9 267 Expanding Logistics 267 Logistics Section Expansion 267 Logistics Branch Structure 268 Support Branch 268 Service Branch 275 Chapter 9 Quiz 306 Chapter 10 308 Expanding Planning and Intelligence 308 Planning and Intelligence Modular Expansion 308 Situation Unit 310 Resources Unit 320 The Documentation Unit 326 The Demobilization Unit 332 Two Optional Units 338 Chapter 10 Quiz 341 Chapter 11 344 Expanding Finance and Administration 344 Time Unit 359 Chapter 11 Quiz 363 Chapter 12 366 ICS Investigations and Intelligence (I/I 366 Historical Overview 367 More than Law Enforcement 369 Investigations and Intelligence Gathering (I/I) Information Sharing 371 Placement Consideration of Investigations and Intelligence Gathering (I/I) 373 Investigations and Intelligence Gathering (I/I) as Command Staff 374 Investigations and Intelligence Gathering (I/I) as General Staff 375 Investigations and Intelligence Gathering (I/I) in the Operations Section 400 Investigations and Intelligence Gathering (I/I) in the Planning Section 402 Conclusion 402 Chapter 12 Quiz 405 Chapter 13 408 The Agency Administrator, Common Agency Representatives, and a Basic Overview of the Planning Process 408 The Agency Administrator 408 Agency Administrator Representatives 410 An Overview of the ICS Planning Process 417 Initial Understanding of the Situation 424 Establishing Incident Objectives and Strategies 425 Develop a Plan 426 Prepare and Disseminate the Plan 427 Chapter 13 Quiz 430 Chapter 14 433 Management by Objectives-SMART Goals 433 Underlying Factors for Determining Incident Objectives and Strategies 436 Establishing Immediate Incident Objective Priorities 437 Management by Objectives 445 Writing Goals and Objectives for the Incident Action Plan 447 * Management by Objective for never-ending incidents * 451 The Importance of SMART Objectives in the Planning Process 453 Chapter 14 Quiz 455 Chapter 15 458 The Planning P-In Depth 458 The Beginning of the Incident and Notifications 458 Initial Response and Assessment 459 Incident Briefing-Preparing for a Transfer of Command 464 Delegation of Authority (DOA) 468 Delegation of Authority Briefing 470 Transfer of Command 475 Initial Incident Command/Unified Command Meeting 477 Establish Core Planning Meeting Principles for the Incident 477 Facilitating (Ongoing) Meetings 478 Initial or Ongoing? 482 Incident Command Objective Meeting 483 The Command and General Staff Meeting 484 Preparations for the Ongoing Command and General Staff Meeting 492 The (ongoing) Command Staff and General Staff Meeting 499 The Tactics Meeting 504 Preparing for the Planning Meeting 509 Incident Action Plan Preparation and Approval 511 Printing the Incident Action Plan 515 Chapter 15 Quiz 530 Chapter 16 532 Integrating Incident Management into Hospitals 532 Hospital Emergency Incident Command System (HEICS) 532 HICS 536 HICS Does Work for Incident Management 541 Joplin MO Tornado 542 The Fundamental Elements of HICS 546 Chain of Command 549 Command and General Staff 549 HICS Operations Section 550 Staging Manager 551 Medical Care Branch Director 551 Infrastructure Branch Director 553 Security Branch Director 553 Hazmat Branch Director 556 Business Continuity Branch Director 556 Patient Family Assistance Branch Director 558 HICS Planning Section 560 HICS Logistics Section 560 The Planning P/The HICS Planning Process 563 Emergency Operations Plan 566 An All-Hazards Plan 568 Who Should Create the Emergency Operations Plan (EOP)? 569 Patient management 580 Logistics 581 Finance and Emergency Spending Authorizations 583 Resource Management 583 Donations Management (solicited and unsolicited) 584 Infrastructure Management (building, grounds, utilities, damage assessment) 584 Evacuation 585 Safety and Security 586 Coordination with external agencies 588 Conclusion 594 Chapter 16 Quiz 597

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Book SynopsisProvides students and practitioners with a solid grounding in the theory of chromatography, important considerations in its application, and modern instrumentation. Highlights the primary variables that practitioners can manipulate, and how those variables influence chromatographic separations Includes multiple figures that illustrate the application of these methods to actual, complex chemical samples Problems are embedded throughout the chapters as well as at the end of each chapter so that students can check their understanding before continuing on to new sections Each section includes numerous headings and subheadings, making it easy for faculty and students to refer to and use the information within each chapter selectively The focused, concise nature makes it useful for a modular approach to analytical chemistry courses Trade Review"Mark Vitha has written a book that will appeal to students, teachers, and perhaps professional analysts who need a refresher in the fundamentals of chromatography. The book consists of three sections of about equal length dealing with separation theory, gas chromatography (GC), and liquid chromatography (LC). The section on theory is especially strong. Vitha is an experienced educator who understands the undergraduate audience and explains concepts clearly. He uses analogies to help students with abstract ideas, something I have seen little of in the sciences. He also freely uses ideas and terms from thermodynamics that can be grasped by students who have studied physical chemistry"."Graduate students might want to use this book, with additional depth provided by their instructors and current and classic papers (many are referenced). Graduate students need more depth in areas such as solvent theory and the selection of solvents, for example, than is given in this book"."I taught instrumental methods to undergraduate students for many years using encyclopedic full-course texts. I wish there had been as fine a pedagogical tool as this more-focused new textbook at that time". (LC/GC- December 16)Table of ContentsPreface ix 1. Fundamentals of Chromatography 1 1.1 Theory 1 1.1.1 Component Separation 3 1.1.2 Retention Factor 6 1.1.3 Separation 11 1.1.4 Resolution and Theoretical Plates 13 1.2 Band Broadening 20 1.2.1 Diffusion 21 1.2.2 Linear Velocity 23 1.2.3 Broadening in Open Tubes with No Stationary Phase and No Retention 24 1.2.4 Broadening in Open Tubes with a Stationary Phase 28 1.2.5 Broadening in a Packed Column 34 1.2.6 Putting It All Together 43 1.2.7 Practical Consequences of Broadening Theory 45 1.3 General Resolution Equation 47 1.4 Peak Symmetry 51 1.5 Key Operating Variables 51 1.6 Instrumentation 53 1.7 Practice of The Technique 53 1.7.1 Quantitation 53 1.7.2 Internal Standards and the Method of Standard Additions 55 1.8 Emerging Trends and Applications 55 1.9 Summary 55 Problems 56 References 59 Further Reading 59 2. Gas Chromatography 61 2.1 Theory of Gas Chromatographic Separations 61 2.1.1 GC Columns and Partitioning 64 2.2 Key Operating Variables that Control Retention 64 2.2.1 Adjusting Retention Time: Temperature 65 2.2.2 Adjusting Retention Time: Temperature Programming 67 2.2.3 Adjusting Retention Time: Mobile Phase Flow Rate 69 2.2.4 Adjusting Retention Time: The Column and the Stationary Phase 72 2.2.5 Adjusting Retention Time: Summary 78 2.2.6 Measures of Retention 78 2.3 Gas Chromatography Instrumentation 82 2.3.1 Carrier Gas Supply 83 2.3.2 The Injection Port and the Solute Injection Process 83 2.3.3 Oven/Column Compartment 97 2.3.4 Detectors 98 2.4 A More Detailed Look at Stationary Phase Chemistry: Kovats Indices and Mcreynolds Constants 111 2.4.1 Kovats Retention Indices 111 2.4.2 Stationary Phase Selection 120 2.5 Gas Chromatography in Practice 124 2.5.1 Syringe Washing 124 2.5.2 Controls and Blanks/Ghost Peaks 124 2.5.3 Autosamplers 125 2.5.4 GC Septa 125 2.5.5 Qualitative Analysis 126 2.5.6 Quantitative Analysis 126 2.5.7 Derivatization 128 2.5.8 High-Speed GC 128 2.5.9 Tandem GC 129 2.5.10 Microfabricated GC 129 2.6 A “Real-World” Application of Gas Chromatography 131 2.6.1 GC and International Oil Trading 131 2.7 Summary 136 Problems 137 References 143 Further Reading 144 3. Liquid Chromatography 145 3.1 Examples of Liquid Chromatography Analyses 145 3.2 Scope of Liquid Chromatography 147 3.3 History of LC 148 3.3.1 Modern Packing Materials 149 3.4 Modes of Liquid Chromatography 152 3.4.1 Normal Phase Liquid Chromatography (NPLC) 152 3.4.2 Reversed-Phase Liquid Chromatography (RPLC) 154 3.4.3 Ion-Exchange Chromatography (IEX) 165 3.4.4 Hydrophilic Interaction Chromatography (HILIC) 173 3.4.5 Size Exclusion Chromatography (SEC) 175 3.4.6 Affinity Chromatography 178 3.5 HPLC Instrumentation 180 3.5.1 The Proportioning Valve 181 3.5.2 Mixing Chamber 181 3.5.3 Pumps 181 3.5.4 Injection 183 3.5.5 The Column and Particles 185 3.5.6 Guard Columns 187 3.5.7 Detectors 188 3.6 Specific Uses of and Advances in Liquid Chromatography 201 3.6.1 Chiral Separations 202 3.6.2 Preparative-Scale Chromatography 207 3.6.3 Ultra-High Performance Liquid Chromatography (UHPLC) for High-Speed Separations 212 3.6.4 Tandem-Column Liquid Chromatography 216 3.6.5 Two-Dimensional Liquid Chromatography (2D-LC) 218 3.7 Application of LC – Analysis of Pharmaceutical Compounds in Groundwater 224 3.7.1 Sampling 225 3.7.2 Analysis Method for 21 Antibiotics – Sample Pretreatment 225 3.7.3 Use of Internal Standards and Other Quality Assurance Issues 227 3.7.4 LC Analyses 228 3.7.5 Mass Spectrometric Selected Ion Monitoring Detection 228 3.7.6 Results 229 3.8 Summary 230 Problems 230 References 232 Solutions 237 Index 263

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Book SynopsisDetails the source, release, exposure, adsorption, aggregation, bioavailability, transport, transformation, and modeling of engineered nanoparticles found in many common products and applications Covers synthesis, environmental application, detection, and characterization of engineered nanoparticles Details the toxicity and risk assessment of engineered nanoparticles Includes topics on the transport, transformation, and modeling of engineered nanoparticles Presents the latest developments and knowledge of engineered nanoparticles Written by world leading experts from prestigious universities and companies Table of ContentsSERIES PREFACE vii PREFACE ix LIST OF CONTRIBUTORS xi PART 1 SYNTHESIS, ENVIRONMENTAL APPLICATION, DETECTION, AND CHARACTERIZATION OF ENGINEERED NANOPARTICLES 1 1 Challenges Facing the Environmental Nanotechnology Research Enterprise 3Stacey M. Louie, Amy L. Dale, Elizabeth A. Casman, and Gregory V. Lowry 2 Engineered Nanoparticles for Water Treatment Application 20Jeehye Byun and Cafer T. Yavuz 3 Mass Spectrometric Methods for Investigating the Influence of Surface Chemistry on the Fate of Core–Shell Nanoparticles in Biological and Environmental Samples 31Sukru Gokhan Elci, Alyssa L. M. Marsico, Yuqing Xing, Bo Yan, and Richard W. Vachet 4 Separation and Analysis of Nanoparticles (NP) in Aqueous Environmental Samples 53Ralf Kaegi 5 Nanocatalysts for Groundwater Remediation 75Kimberly N. Heck, Lori A. Pretzer, and Michael S. Wong PART 2 ENVIRONMENTAL RELEASE, PROCESSES, AND MODELING OF ENGINEERED NANOPARTICLES 93 6 Properties, Sources, Pathways, and Fate of Nanoparticles in the Environment 95Yon Ju-Nam and Jamie Lead 7 Environmental Exposure Modeling Methods for Engineered Nanomaterials 118Niall J. O’Brien and Enda J. Cummins 8 Aggregation Kinetics and Fractal Dimensions of Nanomaterials in Environmental Systems 139Navid B. Saleh, A. R. M. Nabiul Afrooz, Nirupam Aich, and Jaime Plazas-Tuttle 9 Adsorption of Organic Compounds by Engineered Nanoparticles 160Bo Pan and Baoshan Xing 10 Sorption of Heavy Metals by Engineered Nanomaterials 182Gangfen Miao, Kun Yang, and Daohui Lin 11 Emission, Transformation, and Fate of Nanoparticles in the Atmosphere 205Prashant Kumar and Abdullah N. Al-Dabbous 12 Nanoparticle Aggregation and Deposition in Porous Media 224Yao Xiao and Mark R. Wiesner 13 Interfacial Charge Transfers of Surface-Modified TiO2 Nanoparticles in Photocatalytic Water Treatment 245Hyunwoong Park 14 Chemical Transformations of Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles in the Environment 261Thomas R. Kuech, Robert J. Hamers, and Joel A. Pedersen PART 3 TOXICITY OF ENGINEERED NANOPARTICLES AND RISK ASSESSMENT 293 15 Fate, Behavior, and Biophysical Modeling of Nanoparticles in Living Systems 295Emppu Salonen, Feng Ding, and Pu Chun Ke 16 Subchronic Inhalation Toxicity Study in RatsWith Carbon Nanofibers: Need for Establishing a Weight-of-Evidence Approach for Setting no Observed Adverse Effect Levels (NOAELs) 314David B. Warheit, Ken L. Reed, and Michael P. DeLorme 17 Toxicity of Manufactured Nanomaterials to Microorganisms 320Yuan Ge, Allison M. Horst, Junyeol Kim, John H. Priester, Zoe S. Welch, and Patricia A. Holden 18 Toxicity of Engineered Nanoparticles to Fish 347Wei Liu, Yanmin Long, Nuoya Yin, Xingchen Zhao, Cheng Sun, Qunfang Zhou, and Guibin Jiang 19 Toxicity of Engineered Nanoparticles to Aquatic Invertebrates 367Denisa Cupi, Sara N. Sørensen, Lars M. Skjolding, and Anders Baun 20 Effects and Uptake of Nanoparticles in Plants 386Arnab Mukherjee, Jose R. Peralta-Videa, Jorge Gardea-Torresdey, and Jason C. White 21 Feasibility and Challenges of Human Health Risk Assessment for Engineered Nanomaterials 409Karin Aschberger, Frans M. Christensen, Kirsten Rasmussen, and Keld A. Jensen 22 Ecotoxicological Risk of Engineered Nanomaterials (ENMs) for the Health of the Marine Environment 442Xiaoshan Zhu, Shengyan Tian, Chao Wang, Lihong Zhao, Jin Zhou, and Zhonghua Cai INDEX 475

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Book SynopsisFrom Boron Trifluoride to Zinc, the 52 most widely used reagents in organic synthesis are described in this unique desktop reference for every organic chemist.Table of ContentsPreface ix Short Note on InChIs and InChIKeys xi General Abbreviations xiii Bis(dibenzylideneacetone)palladium(0) 2 9-Borabicyclo[3.3.1]nonane Dimer 17 Boron Trifluoride Etherate 27 N-Bromosuccinimide 43 n-Butyllithium 54 N,N[1]-Carbonyl Diimidazole 72 Cerium(IV) Ammonium Nitrate 80 m-Chloroperbenzoic Acid 87 N-Chlorosuccinimide 98 Chlorotrimethylsilane 108 Chlorotris(triphenylphosphine)-rhodium(I) 121 (Diacetoxyiodo)benzene 136 Diazomethane 145 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone 152 Diisobutylaluminum Hydride 164 4-Dimethylaminopyridine 170 Dimethyldioxirane 176 1-Ethyl-3-(3[1]-dimethylaminopropyl) carbodiimide Hydrochloride 184 N-Iodosuccinimide 188 Iodotrimethylsilane 194 2-Iodoxybenzoic Acid 206 Lithium Aluminum Hydride 212 Lithium Diisopropylamide 224 Lithium Naphthalenide 241 Manganese Dioxide 248 Osmium Tetroxide 264 Oxalyl Chloride 283 Oxalyl Chloride–Dimethylformamide 288 Ozone 290 Pinacolborane 306 Potassium Hexamethyldisilazide 313 Potassium Monoperoxysulfate 334 Potassium tert-Butoxide 353 Ruthenium(II), Tris(2,2[1]-bipyridine-κN1,κN1[1])-, (OC-6-11)- 370 Samarium(II) Iodide 378 Scandium Trifluoromethanesulfonate 388 Sodium Azide 398 Sodium Borohydride 406 Sodium Cyanoborohydride 419 Sodium Hexamethyldisilazide 428 Sodium Hydride 438 Sodium Periodate 447 Tetrabutylammonium Fluoride 458 Tetrakis(triphenylphosphine)-palladium(0) 467 Tetra-n-propylammonium Perruthenate 476 p-Toluenesulfonyl Chloride 480 Triethylsilane 489 Trifluoromethanesulfonic Acid 498 Trifluoromethanesulfonic Anhydride 507 Trimethylsilyl Trifluoromethanesulfonate 524 Trimethylsilyldiazomethane 543 Zinc–Acetic Acid 554 List of Contributors 000 Subject Index 000

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Book SynopsisThe updated guide to the fundamental concepts, techniques and applications of synchrotron radiation and its applications in this rapidly developing field Synchrotron light is recognized as an invaluable research tool by a broad spectrum of scientists, ranging from physicists to biologists and archaeologists. The comprehensively revised second edition of An Introduction to Synchrotron Radiation offers a guide to the basic concepts of the generation and manipulation of synchrotron light, its interaction with matter and the application of synchrotron light in x-ray scattering, spectroscopy, and imaging. The author, a noted expert in the field, reviews the fundamentals of important experimental methods, and explores the most recent technological advances in both the latest generation of x-ray sources and x-ray instrumentation. Designed to be an accessible resource, the book contains full-colour illustrations of the underlying physics and experimental aTable of ContentsPreface xiii Acknowledgements xv About the Companion Website xvii 1 Introduction 1 1.1 A Potted History of X-rays 6 1.2 Synchrotron Sources over the Last Seventy Years 13 References 17 2 The Interaction of X-rays with Matter 19 2.1 Introduction 19 2.2 The Electromagnetic Spectrum 21 2.3 Compton Scattering 22 2.4 Thomson Scattering 25 2.5 Atomic Scattering Factors 26 2.5.1 Scattering from a Cloud of Free Electrons 26 2.5.2 Correction Terms for the Atomic Scattering Factor 28 2.6 The Refractive Index, Reflection, and Photoabsorption 32 2.6.1 The Refractive Index 32 2.6.2 Refraction and Reflection 33 2.6.3 Photoabsorption 38 2.7 X-ray Fluorescence and Auger Emission 42 2.7.1 X-ray Fluorescence 42 2.7.2 Auger Emission 45 2.7.3 Fluorescence or Auger? 45 2.8 Concluding Remarks 46 Problems 47 References 49 3 Synchrotron Physics 51 3.1 Introduction 51 3.2 Overview 51 3.3 Production of Light by Acceleration of Charged Particles 55 3.4 Forces Acting on a Charged Particle by Electromagnetic Radiation 57 3.5 Radiation from Relativistic Electrons 58 3.5.1 Synchrotron Radiation 58 3.5.2 Bremsstrahlung 62 3.5.3 Magnetic Deflection Fields 63 3.5.4 Radiated Power Loss in Synchrotrons 65 3.6 Radio-frequency Power Supply and Bunching 66 3.7 Photon-beam Properties 69 3.7.1 Flux and Brilliance 69 3.7.2 Emittance, Radiation Equilibrium, and Quantum Excitation 69 3.7.3 Coherence 73 3.7.4 Polarization of Synchrotron Radiation 76 3.8 The Magnet Lattice 77 3.8.1 Bending Magnets and Superbends 78 3.8.2 Betatron Oscillations and the Dynamic Aperture 80 3.8.3 Quadrupole and Sextupole Magnets 81 3.8.4 Orbit Control and Feedbacks 81 3.8.5 Multiple-bend Achromats and DLSRs 82 3.9 Insertion Devices 86 3.9.1 Wigglers 88 3.9.2 Damping Wigglers 89 3.9.3 Undulators 90 3.9.4 Undulators at DLSRs 97 3.9.5 Echo-enabled Harmonic Generation at DLSRs 99 3.9.6 Control of Polarization using Undulators 100 3.10 Concluding Remarks 101 Problems 103 References 105 4 Free-electron Lasers 107 4.1 Introduction 107 4.2 XFEL Architecture 110 4.3 The SASE Process 112 4.4 Properties of XFEL Beams 117 4.4.1 Tuning the Photon Energy 117 4.4.2 Source Fluctuations 117 4.4.3 Degree of Monochromacity 117 4.5 Seeding 118 4.5.1 High-brilliance SASE using an Array of Short Undulators and Chicanes 119 4.5.2 Self-seeding of Hard XFEL-radiation using Diamond Monochromatization 120 4.6 Radiation Damage and Heat Loads 120 4.6.1 Thermal Loads on Optics 121 4.6.2 Sample Irradiation 122 4.7 XFELs and THz Radiation 123 4.8 Concluding Remarks 124 Problems 124 References 126 5 Beamlines 129 5.1 Introduction 129 5.2 Front End 129 5.2.1 X-ray Beam-position Monitors 129 5.2.2 Primary Aperture and Front-end Slits 131 5.2.3 Low-energy Filters 131 5.3 Basics of X-ray Optics 132 5.3.1 Ray Optics 133 5.3.2 Spherical Surfaces and Aberrations 134 5.3.3 Wave Optics 137 5.4 Primary Optics 142 5.4.1 X-ray Mirrors 143 5.4.2 Monochromators 145 5.4.3 Higher Harmonics 155 5.4.4 Double-crystal Deflectors 158 5.5 Microfocus and Nanofocus Optics 159 5.5.1 Compound Refractive Lenses 160 5.5.2 Tapered Glass Capillaries 162 5.5.3 Fresnel Zone Plates 163 5.5.4 Multilayer Laue Lenses 166 5.6 Beam-intensity Monitors 167 5.7 Detectors 168 5.7.1 Sources of Noise in Detectors 168 5.7.2 Photographic Plates 170 5.7.3 Scintillator Detectors 171 5.7.4 The Point-spread Function 172 5.7.5 Crystal Analysers 172 5.7.6 Image Plates 175 5.7.7 Charge-coupled Devices 175 5.7.8 Pixel and Microstrip Detectors 176 5.7.9 To Integrate or to Count? 180 5.7.10 Energy-dispersive Detectors 181 5.8 Time-resolved Experiments 187 5.8.1 Streak Cameras 187 5.8.2 X-ray Streaking at XFELs 188 5.9 Concluding Remarks 189 Problems 189 References 192 6 Scattering Techniques 195 6.1 Introduction 195 6.2 Diffraction at Synchrotron Sources 197 6.3 Description of Crystals 198 6.3.1 Lattices and Bases 198 6.3.2 Crystal Planes 201 6.3.3 Labelling Crystallographic Planes and Axes 202 6.4 Basic Tenets of X-ray Diffraction 202 6.4.1 Introduction 202 6.4.2 The Bragg Law and Reciprocal Lattice 203 6.4.3 The Influence of the Basis 206 6.4.4 Dynamical Diffraction 209 6.5 Diffraction and the Convolution Theorem 210 6.5.1 The Convolution Theorem 210 6.5.2 Understanding the Structure Factor 212 6.6 The Phase Problem and Anomalous Diffraction 212 6.6.1 Introduction 212 6.6.2 The Patterson Map 214 6.6.3 Friedel’s Law and Bijvoet Mates 215 6.6.4 Anomalous Diffraction 216 6.6.5 Direct Methods 220 6.7 Types of Crystalline Samples 222 6.8 Single Crystal Diffraction 224 6.8.1 Laue Diffraction 224 6.8.2 Single Crystal Diffraction with Monochromatic X-rays 225 6.9 Textured Samples 227 6.10 Powder Diffraction 228 6.10.1 Introduction 228 6.10.2 Basics of Powder Diffraction 229 6.10.3 The Pair-distribution Function 231 6.11 Macromolecular Crystallography 232 6.11.1 Introduction 232 6.11.2 Geometries and Photon Energies used in MX 238 6.11.3 Opportunities for MX at DLSRs 240 6.11.4 Solving the Phase Problem in MX 242 6.11.5 MX Studies at XFELs 256 6.12 Surface Diffraction 258 6.12.1 Introduction 258 6.12.2 Crystal Truncation Rods 259 6.12.3 Superstructure Rods 262 6.12.4 Data Acquisition 262 6.13 Resonant X-ray Scattering 264 6.14 X-ray Reflectometry 267 6.14.1 Introduction 267 6.14.2 Reflection of X-rays and the Fresnel Equations 268 6.14.3 Thin Films and Multilayers 270 6.14.4 XRR Monitoring of Thin Film Growth 273 6.15 Small-angle X-ray Scattering 275 6.15.1 Introduction 275 6.15.2 Theory 276 6.15.3 Practical Considerations 288 6.15.4 Grazing Incidence SAXS 289 6.16 Concluding Remarks 290 Problems 291 References 297 7 Spectroscopic Techniques 303 7.1 Introduction 303 7.2 X-ray Absorption Processes 305 7.2.1 Energy-level Schemes of Atoms, Molecules, and Solids 307 7.2.2 Absorption Features 309 7.3 Photoelectron Energies, Wavelengths, and Absorption Regions 310 7.3.1 The Universal Curve 311 7.3.2 𝜎- and 𝜋-polarizations 312 7.4 X-ray Absorption Near-edge Structure, XANES 314 7.4.1 Introduction 314 7.4.2 The XANES Signal 315 7.5 Extended X-ray Absorption Fine Structure, EXAFS 318 7.5.1 Introduction 318 7.5.2 The EXAFS Signal 319 7.5.3 Time-resolved Absorption Spectroscopy 324 7.6 Fluorescence Spectroscopies 327 7.6.1 Introduction 327 7.6.2 X-ray Fluorescence 327 7.6.3 Resonant Inelastic X-ray Scattering 327 7.6.4 X-ray Standing Waves 331 7.7 Scanning Transmission X-ray Microscopy, STXM 333 7.7.1 Introduction 333 7.7.2 The Water Window 333 7.7.3 Modes in STXM 335 7.8 Photoemission Electron Microscopy, PEEM 335 7.8.1 Basics of PEEM 335 7.8.2 PEEM and Magnetic Dichroism 338 7.9 Photoemission Spectroscopy 341 7.9.1 Introduction 341 7.9.2 Ultraviolet Photoemission Spectroscopy 343 7.9.3 Soft X-ray ARPES 353 7.9.4 X-ray Photoelectron Spectroscopy 355 7.9.5 Hard X-ray Photoelectron Spectroscopy 358 7.10 Concluding Remarks 359 Problems 360 References 363 8 Imaging Techniques 367 8.1 Introduction 367 8.2 X-ray Computed Microtomography 368 8.2.1 Introduction 368 8.2.2 General Concepts 370 8.2.3 Practical Considerations 374 8.2.4 Phase-contrast Tomography 375 8.2.5 Fast XTM 383 8.2.6 Laminography 384 8.3 Full-field Microscopy 385 8.3.1 Zernike X-ray Microscopy 385 8.4 Lensless Imaging 387 8.4.1 Introduction 387 8.4.2 Speckle 389 8.4.3 Noncrystalline and Crystalline Samples 390 8.4.4 Oversampling and Redundancy 392 8.4.5 Ptychography 393 8.4.6 Scanning SAXS and Small-angle Scattering Tensor Tomography 395 8.4.7 X-ray Photon Correlation Spectroscopy 395 8.5 Concluding Remarks 397 Problems 398 References 400 Appendices A Cryogenic Electron Microscopy 403 B Some Helpful Mathematical Relations and Approximations 409 C Fourier Series and Fourier Transforms Made Simple 411 C.1 Introductory Remarks 411 C.2 Periodic Functions 413 C.3 From Fourier Series to Fourier Transforms 415 C.4 Mathematical Properties of Fourier Transforms 417 D Argand Diagrams and the Complex Plane 419 E Solutions to Problems 423 E.2 Chapter 2 – The Interaction of X-rays with Matter 423 E.3 Chapter 3 – Synchrotron Physics 428 E.4 Chapter 4 – Free-electron Lasers 436 E.5 Chapter 5 – Beamlines 439 E.6 Chapter 6 – Scattering Techniques 446 E.7 Chapter 7 – Spectroscopic Techniques 459 E.8 Chapter 8 – Imaging Techniques 464 F Glossary 469 G Physical Constants Relevant to Synchrotron Radiation 473 Index 475

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Book SynopsisThe current volume continues the tradition of the Organic Synthesis 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.

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Book SynopsisThe latest volume in this series for organic chemists in industry presents critical discussions of widely used organic reactions or particular phases of a reaction. The material is treated from a preparative viewpoint, with emphasis on limitations, interfering influences, effects of structure and the selection of experimental techniques. The work includes tables that contain all possible examples of the reaction under consideration. Detailed procedures illustrate the significant modifications of each method.Table of Contents1. Enantioselective, Rhodium-Catalyzed 1,4-Addition of Organoboron Reagents to Electron-Deficient Alkenes 1Alan R. Burns, Hon Wai Lam, and Iain D. Roy Cumulative Chapter Titles by Volume 687 Author Index, Volumes 1–93 705 Chapter and Topic Index, Volumes 1–93 711

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Book SynopsisThe latest volume in this series for organic chemists in 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. Gold-Catalyzed Cyclizations ofAlkynes with Alkenes and Arenes 1Antonio M. Echavarren, Michael E. Muratore, Verónica López-Carrillo, Ana Escribano-Cuesta, Núria Huguet, and Carla Obradors 2. Cyclization of Vinyl and Aryl Azides into Pyrroles, Indoles, Carbazoles, and Related Fused Pyrroles 413William F. Berkowitz and Stuart W. McCombie Cumulative Chapter Titles by Volume 659 Author Index, Volumes 1–92 677 Chapter and Topic Index, Volumes 1–92 683

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Book SynopsisThe latest volume in this series for organic chemists in 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. Nucleophilic Additions of Perfluoroalkyl GroupsPetr Beier, Mikhail Zibinsky, and G. G. Surya Prakash 1 Cumulative Chapter Titles by Volume 743 Author Index, Volumes 1–91 761 Chapter and Topic Index, Volumes 1–91 767

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Book SynopsisThe latest volume in this series for organic chemists in 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 Catalytic, Enantioselective Michael ReactionEfraím Reyes, Uxue Uria, Jose L. Vicario, and Luisa Carrillo 1 Cumulative Chapter Titles by Volume 899 Author Index, Volumes 1–90 915 Chapter and Topic Index, Volumes 1–90 921

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Book SynopsisThis book contains material contributed by forward-looking scientists who work at the interface of stem cell research and applied science with the aim to improve human fetal safety and the understanding of human developmental and degenerative disorders. Provides important platforms and contemporary accounts of the state of stem cell research in the fields of toxicology and teratologyConsiders both in vitro uses of stem cells as platforms for teratology and also stem cellopathies, which are in vivo developmental and degenerative disordersHelps the pharmaceutical industry and safety and environmental authorities validate the status quo of in vitro toxicity test systems based on human pluripotent stem cells and their derivativesTable of ContentsList of Contributors xiii Preface xix Part I Introduction and Overview 1 1 The Basics of Stem Cells and Their Utility as Platforms to Model Teratogen Action and Human Developmental and Degenerative Disorders 3Bindu Prabhakar, Soowan Lee, and Theodore P. Rasmussen 1.1 Stem Cell Types and Basic Function 3 1.2 Pluripotency 6 1.2.1 Poised Chromatin of the Pluripotent Epigenome 6 1.2.2 Undirected Differentiation of Pluripotent Cells to Embryoid Bodies 7 1.2.3 Directed Differentiation of Pluripotent Cells 8 1.3 In vitro Uses of Pluripotent Cells 9 1.3.1 Pluripotent Cells for Toxicology 9 1.3.2 Pluripotent Cells for Teratology 11 1.3.3 Limitations of Pluripotent Stem Cells 12 1.4 Adult Stem Cells in vivo 13 1.5 Emerging Trends in Stem Cell Culture 14 1.5.1 Use of Coculture 15 1.5.2 Organoids 16 1.5.3 Microfluidics 17 1.5.4 Other Cell Types with Stem-Cell-like Properties 18 1.6 Future Directions 18 1.6.1 iPSCs, Pharmacogenomics, and Predictive Teratology 18 1.6.2 Stem Cell Systems for Environmental Toxicology 19 References 20 Part II Using Pluripotent Cells for the Detection and Analysis of Teratogens 25 2 Stem Cells and Tissue Engineering Technologies for Advancing Human Teratogen Screening 27Jiangwa Xing, Geetika Sahni, and Yi-Chin Toh Abbreviations 27 2.1 Introduction 28 2.2 Current DART Regulatory Guidelines and Methods 29 2.2.1 Governing Bodies 29 2.2.2 Terminologies and Definitions 29 2.2.3 Testing Methodologies 30 2.2.4 Limitations of Animal-Based DART Testing 32 2.3 In vitro Animal-Based Models for Developmental Toxicity Testing 33 2.3.1 Current In vitro Animal-Based Models for Developmental Toxicity Testing 33 2.3.2 The MM Assay 35 2.3.3 The WEC Assay 35 2.3.4 The ZEDT Assay 36 2.3.5 New Engineering and Microfabrication Technologies for Model Improvement 38 2.4 In vitro Stem-Cell-Based Developmental Toxicity Models 42 2.4.1 Embryonic Stem Cell Test (EST) 42 2.4.2 ReproGlo Reporter Assay 45 2.4.3 Metabolite Biomarker Assay Using hESCs 46 2.4.4 Mesoendoderm Biomarker-Based Human Pluripotent Stem Cell Test (hPST) 47 2.4.5 The Micropatterned Human Pluripotent Stem Cell Test(μP-hPST) 48 2.5 Conclusion and Future Directions 50 References 51 3 Use of Embryoid Bodies for the Detection of Teratogens and Analysis of Teratogenic Mechanisms 59Anthony Flamier 3.1 Embryoid Body Assays: Background 59 3.1.1 Teratogens and Teratogenesis 59 3.1.2 Classic Protocols for Teratogen Assays 60 3.1.3 Pluripotent Stem Cell Technology and its Applications for Teratogen Detection 62 3.2 Detection of Teratogens Using EBs 63 3.2.1 Formation of Embryoid Bodies for Teratogen Assays 63 3.2.2 Cytotoxicity versus Teratogenicity 65 3.2.3 EB Treatments 65 3.3 Teratogenic Mechanisms 65 3.3.1 EB Growth and Morphogenesis 65 3.3.2 Molecular Analysis 66 3.3.3 Alternative Analyses 67 Acknowledgments 67 References 67 4 Stem-Cell-Based In vitro Morphogenesis Models to Investigate Developmental Toxicity of Chemical Exposures 71Yusuke Marikawa 4.1 Introduction 71 4.2 Stem-Cell-Based In vitro Morphogenesis Model 73 4.2.1 Mouse P19C5 EB as an In vitro Gastrulation Model 73 4.2.2 Quantitative Evaluation of Morphogenetic Impact 77 4.2.3 Detection of Developmentally Toxic Exposures Using Morphometric Analyses 78 4.2.4 Investigations into the Molecular Mechanisms of Teratogen Actions Using P19C5 EBs 81 4.3 Future Directions: Enhancing Morphogenesis-Based Assays 83 4.3.1 Analyses of Changes in Gene Expression Relevant for Teratogenesis 83 4.3.2 Detection of Proteratogens Using Metabolic Systems 84 4.3.3 Representation of Additional Developmental Regulator Signals 84 4.3.4 Recapitulation of Human Embryogenesis Using Human Embryonic Stem Cells 85 4.4 Concluding Remarks 85 Acknowledgment 86 References 86 5 Risk Assessment Using Human Pluripotent Stem Cells: Recent Advances in Developmental Toxicity Screens 91Kristen Buck and Nicole I. zur Nieden 5.1 Introduction 91 5.2 Animal Embryo Studies to Evaluate Developmental Toxicity 91 5.3 Usage of Mouse Embryonic Stem Cells in Developmental Toxicity 94 5.4 Alternative Endpoint Read-Out Approaches in the EST 96 5.4.1 Simple and Complex Methods – Trends Are Ever Changing 96 5.4.2 Genomics, Transcriptomics, Proteomics, and Metabolomics 98 5.5 Novel Methods and Protocols to Replicate Human Development 99 5.5.1 Human Embryonic Stem Cells 100 5.5.2 Multipotent Stem Cells and Beyond 103 5.6 Future Applications 105 Acknowledgments 105 References 106 Part III Human Developmental Pathologies Mediatedby Adult Stem Cells 119 6 Modeling the Brain in the Culture Dish: Advancements and Applications of Induced Pluripotent Stem-Cell-Derived Neurons 121Sandhya Chandrasekaran, Prashanth Rajarajan, Schahram Akbarian, and Kristen Brennand 6.1 Introduction 121 6.2 Methods to Generate Patient-Derived Neurons 122 6.2.1 Directed Differentiation of Neurons from Pluripotent Stem Cells 122 6.2.2 Dopaminergic Neurons 123 6.2.3 Glutamatergic Neurons 123 6.2.4 GABAergic Interneurons 124 6.2.5 Striatal Neurons 125 6.2.6 Other Neurons (Serotonergic and Motor) 126 6.2.7 Limitations of Directed Differentiation 127 6.3 Neuronal Induction from Fibroblasts and hiPSCs 127 6.3.1 Induced Neurons (iNeurons) 128 6.3.2 Dopaminergic iNeurons 129 6.3.3 Glutamatergic iNeurons 130 6.3.4 Induced GABAergic Interneurons 130 6.3.5 Induced Medium Spiny Neurons 131 6.3.6 Serotonergic iNeurons 131 6.3.7 Induced Motor Neurons 131 6.3.8 Limitations of Neuronal Induction 132 6.4 Cerebral Organoids: Neural Modeling in Three Dimensions 132 6.4.1 Current Methods for Deriving Cerebral Organoids 132 6.4.2 Applications of Cerebral Organoids: Disease Modeling 134 6.4.3 Limitations in the Use of Cerebral Organoids 135 6.5 Epigenetic Considerations in hiPSC Donor Cell Choice 136 6.6 Aging Neurons 137 6.6.1 Techniques to Age hiPSCs 137 6.6.2 Aging and Dedifferentiation 138 6.6.3 Future Directions 139 6.7 Drug Testing Using hiPSCs 140 6.7.1 Facilitating Clinical Trials 140 6.7.2 Titrating Drug Dosage 140 6.7.3 Evaluating Chemotherapies 141 6.7.4 Steering Personalized Medicine 141 6.7.5 Forging Neural Networks 142 6.8 Promises in the Field 142 6.8.1 High-Throughput Automation 142 6.8.2 Neural Tissue Engineering Using hiPSCs 142 6.8.3 hiPSC-Based Transplantation Therapies 143 6.8.4 Advances Using Gene-Editing Technologies 144 6.9 Concluding Remarks 145 References 146 7 Modeling Genetic and Environment Interactions Relevant to Huntington’s and Parkinson’s Disease in Human Induced Pluripotent Stem Cells (hiPSCs)-Derived Neurons 159Piyush Joshi, M. Diana Neely, and Aaron B. Bowman 7.1 Gene–Environment Interactions Assessed in hiPSC-Derived Neurons 159 7.2 Modeling of Neurological Diseases with hiPSCs 160 7.3 Cell Viability Assays 162 7.4 Mitochondria 163 7.5 Oxidative Stress 164 7.6 Neurite Length by Immunocytochemistry (ICC) 164 7.7 Conclusions 166 References 167 8 Alcohol Effects on Adult Neural Stem Cells – A Novel Mechanism of Neurotoxicity and Recovery in Alcohol Use Disorders 173Rachael A. Olsufka, Hui Peng, Jessica S. Newton, and Kimberly Nixon 8.1 Introduction 173 8.2 The “Birth” of the Study of “Neuronal Cell Birth” 175 8.3 Components of Adult Stem-Cell-Driven Neurogenesis 180 8.3.1 Permissive Sites of Adult Neurogenesis in Brain 180 8.3.2 Stem Cells Versus Progenitors 182 8.3.3 Proliferation 184 8.3.4 Differentiation and Migration 187 8.3.5 Cell Survival and Integration 188 8.4 Alcohol Effects on Adult Neural Stem Cells and Neurogenesis 189 8.4.1 Proliferation 189 8.4.2 Differentiation and Migration 193 8.4.3 Survival and Integration 194 8.5 Extrinsic Factors Influence the Neurogenic Niche 196 8.6 Alcohol and the Niche 198 8.7 Conclusions 200 References 201 9 Fetal Alcohol Spectrum Disorders: A Stem-Cellopathy? 223Amanda H. Mahnke, Nihal A. Salem, Alexander M. Tseng, Annette S. Fincher, Andrew Klopfer, and Rajesh C. Miranda 9.1 Fetal Alcohol Spectrum Disorders 223 9.2 Stem Cells 225 9.2.1 Totipotent Stem Cells 227 9.2.2 Placental Stem Cells – Trophoblast 230 9.2.3 Embryonic Stem Cells and Induced Pluripotent Stem Cells 231 9.3 Endoderm 234 9.3.1 Liver 234 9.4 Mesoderm 235 9.4.1 Cardiac Development 235 9.4.2 Kidney 237 9.5 Ectoderm 238 9.5.1 Neuroectoderm Development 238 9.5.2 Neural Crest 239 9.5.3 Neural Tube Development 240 9.6 Future Directions 243 9.6.1 Fetal Origin of Adult Stem Cells 243 9.6.2 Sex Differences 244 9.6.3 Stem Cell Therapy 245 9.7 Conclusion 245 References 246 10 Toxicological Responses in Keratinocyte Interfollicular Stem Cells 261Rambon Shamilov and Brian J. Aneskievich 10.1 Epidermal Keratinocyte Stem Cells 261 10.2 Arsenic 267 10.3 Dioxin 269 10.4 Bacterial Toxins 273 10.5 Conclusions and Prospective Considerations 274 References 275 Part IV Recent Innovations in Stem Cell Bioassay and Platform Development 285 11 Stem-Cell Microscale Platforms for Toxicology Screening 287Tiago G. Fernandes and Joaquim M. S. Cabral 11.1 Introduction 287 11.2 Stem Cell Models for Toxicology Assessment 288 11.3 Biomimetic Microscale Systems for Drug Screening 290 11.3.1 Design and Microfabrication: Soft Lithography and Replica Molding 290 11.3.2 Microcontact Printing and Surface Patterning 292 11.3.3 Robotic Spotting and Printing 292 11.4 Microtechnologies for Drug Discovery 293 11.5 Devices for High-Throughput Toxicology Studies 294 11.6 Cellular Microarray Platforms 295 11.7 Microfluidic Platforms 298 11.8 Conclusions and Future Perspectives 301 Acknowledgments 301 References 302 12 HepaRG Cells as a Model for Hepatotoxicity Studies 309André Guillouzo and Christiane Guguen-Guillouzo 12.1 Introduction 309 12.2 Characteristics of HepaRG Cells 310 12.2.1 A Bipotent Human Liver Cell Line 310 12.2.2 HepaRG Hepatocytes Express Liver-Specific Functions 314 12.2.1 Long-Term Functional Stability of HepaRG Hepatocytes 315 12.3 Biotransformation and Detoxification Activities 316 12.3.1 Drug Metabolism Capacity 316 12.3.2 Biokinetics and Intrinsic Clearances 318 12.3.3 Applications 319 12.4 Toxicity Studies 320 12.4.1 Hepatotoxicity Screening 320 12.4.2 Cellular Cytotoxicity 322 12.4.3 Genotoxicity and Carcinogenicity Screening 324 12.4.1 Identification of Target Genes 325 12.4.2 Cholestasis 326 12.4.3 Steatosis 327 12.4.4 Phospholipidosis 328 12.5 Conclusions and Perspectives 328 Acknowledgments 329 References 330 Index 341

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Book SynopsisThis book provides an overall view of the new and highly promising materials and thin film deposition techniques for printable solar cell applications. The book is organized in four parts. Organic and inorganic hybrid materials and solar cell manufacturing techniques are covered in Part I.Table of ContentsPreface xv Part I Hybrid Materials and Process Technologies for Printable Solar Cells 1 Organic and Inorganic Hybrid Solar Cells 3 Serap Güneş and Niyazi Serdar Sariciftci 1.1 Introduction 4 1.2 Organic/Inorganic Hybrid Solar Cells 5 1.2.1 Introduction to Hybrid Solar Cells 5 1.2.2 Hybrid Solar Cells 5 1.2.2.1 Operational Principles of Bulk Heterojunction Hybrid Solar Cells 5 1.2.2.2 Bulk Heterojunction Hybrid Solar Cells 8 1.2.2.3 Bilayer Heterojunction Hybrid Solar Cells 12 1.2.2.4 Inverted-Type Hybrid Bulk Heterojunction Solar Cells 15 1.2.2.5 Dye-Sensitized Solar Cells 16 1.2.2.6 Perovskite Solar Cells 21 1.3 Conclusion 23 References 25 2 Solution Processing and Thin Film Formation of Hybrid Semiconductors for Energy Applications 37 J. Ciro, J.F. Montoya, R. Betancur and F. Jaramillo 2.1 Physical Chemical Principles of Film Formation by Solution Processes: From Suspensions of Nanoparticles and Solutions to Nucleation, Growth, Coarsening and Microstructural Evolution of Films 38 2.2 Solution-Processing Techniques for Thin Film Deposition 40 2.2.1 Spin Coating 42 2.2.2 Doctor Blade 43 2.2.3 Slot-Die Coating 44 2.2.4 Spray Coating 46 2.3 Properties and Characterization of Thin Films: Transport, Active and Electrode Layers in Thin Film Solar Cells 46 2.4 Understanding the Crystallization Processes in Hybrid Semiconductor Films: Hybrid Perovskite as a Model 50 2.4.1 Thermal Transitions Revealed by DSC 50 2.4.2 Heat Transfer Processes in a Meso-Superstructured Perovskite Solar Cell 53 2.4.3 Effect of the Annealing Process on Morphology and Crystalline Properties of Perovskite Films 55 2.4.4 Role of Precursor Composition in the Crystallinity of Perovskite Films: Understanding the Role of Additives and Moisture in the Final Properties of Perovskite Layers 56 References 57 3 Organic-Inorganic Hybrid Solar Cells Based on Quantum Dots 65 Wenjin Yue 3.1 Introduction 65 3.2 Polymer/QD Solar Cells 67 3.2.1 Working Principle 67 3.2.2 Device Parameters 68 3.2.2.1 Open-Circuit Voltage (Voc) 68 3.2.2.2 Short-Circuit Current (Jsc) 68 3.2.2.3 Fill Factor (FF) 69 3.2.3 Device Structure 70 3.2.4 Progress of Polymer/QD Solar Cells 71 3.2.4.1 Device Based on Cd Compound 71 3.2.4.2 Device Based on Pb Compound 74 3.2.4.3 Device Based on CuInS2 76 3.2.5 Strategy for Improved Device Performance 78 3.2.5.1 QDs Surface Treatment 78 3.2.5.2 In-Situ Synthesis of QDs 81 3.2.5.3 Polymer End-Group Functionalization 82 3.3 Outlooks and Conclusions 83 Acknowledgment 83 4 Hole Transporting Layers in Printable Solar Cells 93 David Curiel and Miriam Más-Montoya 4.1 Introduction 94 4.2 Hole Transporting Layers in Organic Solar Cells 97 4.2.1 Utility of Hole Transporting Layers 97 4.2.1.1 Energy Level Alignment at the Interfaces and Effect on the Open-Circuit Voltage 98 4.1.1.2 Definition of Device Polarity, Charge Transport and Use as Blocking Layer 102 4.1.1.3 Optical Spacer 103 4.1.1.4 Modulation of the Active Layer Morphology and Use as Protective Layer 103 4.1.2 Overview of Materials Used as Hole Transporting Layers 104 4.1.2.1 Polymers 104 4.1.2.2 Small Molecules 109 4.1.2.3 Metals 112 4.1.2.4 Metal Oxides 112 4.1.2.5 Metal Salts 116 4.1.2.6 Carbon Nanotubes 116 4.1.2.7 Graphene-Based Materials 116 4.1.2.8 Self-Assembled Monolayers 119 4.2 Hole Transporting Layers in Dye-Sensitized Solar Cells 121 4.2.1 Overview of Materials Used as Hole Transporting Layers 123 4.2.1.1 Small Molecules 123 4.2.1.2 Polymers 126 4.3 Hole Transporting Layers in Perovskite Solar Cells 127 4.3.1 Overview of Materials Used as Hole Transporting Layers 128 4.3.1.1 Small Molecules 128 4.3.1.2 Polymers 137 4.3.1.3 Metal Oxides 139 4.3.1.4 Metal Salts 140 4.3.1.5 Carbon Nanotubes 141 4.3.1.6 Graphene-Based Materials 142 4.4 Concluding Remarks 143 5 Printable Solar Cells 163 Alexander Kovalenko and Michal Hrabal 5.1 Introduction 164 5.2 Printable Solar Cells Working Principles 165 5.2.1 CIGS Solar Cells 165 5.2.2 Perovskite Solar Cells 167 5.2.3 Organic Solar Cells 170 5.2.4 Printable Charge-Carrier Selective Layers 172 5.3 Solution-Based Deposition of Thin Film Layers 173 5.3.1 Coating Techniques 174 5.3.1.1 Casting 174 5.3.1.2 Spin Coating 174 5.3.1.3 Blade Coating 176 5.3.1.4 Slot-Die Coating 177 5.3.2 Printing Techniques 179 5.3.2.1 Screen Printing 180 5.3.2.2 Gravure Printing 182 5.3.2.3 Flexographic Printing 184 5.3.2.4 Inkjet Printing 185 5.4 Characterization Techniques 189 5.4.1 Characterization of Thin Layers 189 5.4.2 Electrical Characterization of Solar Cells 190 5.5 Conclusion 194 References 197 Part II Organic Materials and Process Technologies for Printable Solar Cells 6 Spray-Coated Organic Solar Cells 205 Yifan Zheng and Junsheng Yu 6.1 Introduction 205 6.2 Introduction of Spray-Coating Method 206 6.2.1 History of Spray Coating 206 6.2.2 Spray-Coating Equipment 206 6.2.2.1 Airbrush Spray Deposition 206 6.2.2.2 Ultrasonic Spray Deposition 209 6.2.2.3 Electrospray Deposition 210 6.2.3 Spray-Coating Treatment 212 6.2.3.1 Thermal Annealing 213 6.2.3.2 Solvent Treatments 214 6.3 Materials for Spray Coating 216 6.3.1 Organic Materials 216 6.3.2 Metal Oxide and Nanoparticles 220 6.3.3 Perovskite 222 6.4 Application of Spray Coating 224 6.5 Conclusions 226 Acknowledgment 226 References 226 7 Interface Engineering: A Key Aspect for the Potential Commercialization of Printable Organic Photovoltaic Cells 235 Varun Vohra, Nur Tahirah Razali and Hideyuki Murata 7.1 Introduction 236 7.2 SD-PSCs Based on P3HT:PCBM Active Layers 240 7.2.1 Increase in Donor-Acceptor Interface through Nanostructuration of SD-PSCs 240 7.2.2 Generation of Vertical Concentration Gradient by Addition of Regiorandom P3HT in SD-PSCs 242 7.2.3 Generation of Vertical Concentration Gradient and Molecular Orientation by Rubbing P3HT in SD-PSCs 246 7.3 High Performance BHJ-PSCs with Favorable Molecular Orientation Resulting from Active Layer/Substrate Interactions 248 7.4 Strongly Bond Metal Leaves as Laminated Top Electrodes for Low-Cost PSC Fabrication 252 7.5 Conclusions 257 References 258 8 Structural, Optical, Electrical and Electronic Properties of PEDOT: PSS Thin Films and Their Application in Solar Cells 263 Sheng Hsiung Chang, Cheng-Chiang Chen, Hsin-Ming Cheng and Sheng-Hui Chen 8.1 Introduction 264 8.2 Chemical Structure of PEDOT:PSS 265 8.3 Optical and Electrical Characteristics of PEDOT:PSS 267 8.4 Electronic Characteristics of PEDOT:PSS 270 8.5 Highly Conductive PEDOT:PSS Thin Films 271 8.6 Hole-Transporting Materials: PEDOT:PSS Thin Films 273 8.6.1 Effect of PEDOT/PSS Ratio 274 8.6.2 Effect of Spin Rate 275 8.6.3 Effect of Thermal Annealing Temperature 277 8.6.4 Effects of Viscosity of PEDOT:PSS Solutions 278 8.7 Directions for Future Development 281 8.8 Conclusion 282 Reference 283 Part III Perovskites and Process Technologies for Printable Solar Cells 9 Organometal Trihalide Perovskite Absorbers: Optoelectronic Properties and Applications for Solar Cells 291 Timur Sh. Atabaev and Nguyen Hoa Hong 9.1 Introduction 291 9.2 Optical Properties of Organic-Inorganic Perovskite Materials 293 9.3 Charge Transport Properties 294 9.4 Electron Transporting Materials (ETM) 295 9.5 Hole-Transporting Materials (HTM) 295 9.6 Perovskite Solar Cells Architectures 296 9.7 Perovskite Deposition Methods 298 9.8 Photoexcited States 300 9.9 Hysteresis 300 9.10 Stability in Humid Environment 302 9.11 Stability Under UV Light Exposure 302 9.12 Stability at High Temperatures 303 9.13 Additives 304 9.14 Conclusions and Outlook 305 Acknowledgment 306 References 306 10 Organic-Inorganic Hybrid Perovskite Solar Cells with Scalable and Roll-to-Roll Compatible Printing/Coating Processes 313 Dechan Angmo, Mei Gao and Doojin Vak 10.1 Introduction 314 10.2 Optoelectronic Properties 316 10.3 History 317 10.4 Device Configurations 318 10.5 Functional Materials 321 10.5.1 The Organic-Inorganic Halide Perovskites 322 10.5.2 Electron-Selective Layer 324 10.5.3 Hole-Selective Layer 325 10.5.4 Transparent Electrode 325 10.5.5 Counter Electrode 326 10.6 Spin Coating 327 10.7 Roll-to-Roll Processing 331 10.8 Substrate Limitation 331 10.9 Printing and Coating Methods 333 10.9.1 Coating Methods 335 10.9.1.1 Slot-Die Coating 335 10.9.1.2 Spray Coating 339 10.9.1.3 Doctor Blade Coating 342 10.9.1.4 Knife Coating 344 10.9.1.5 Reverse Gravure Coating 345 10.9.2 Printing Methods 346 10.9.2.1 Gravure Printing 346 10.9.2.2 Flexographic Printing 347 10.9.2.3 Screen Printing 349 10.9.2.4 Inkjet Printing 350 10.10 Future Outlook 352 References 352 11 Inkjet Printable Processes for Dye-Sensitized and Perovskite Solar Cells and Modules Based on Advanced Nanocomposite Materials 363 Theodoros Makris, Argyroula Mourtzikou, Andreas Rapsomanikis and Elias Stathatos 11.1 Introduction 364 11.1.1 Dye-Sensitized Solar Cells 364 11.1.2 Perovskite Solar Cells 367 11.2 Inkjet Printing Process 369 11.2.1 Inkjet Printing in DSSC Technology 370 11.2.1.1 Inkjet Printing of Transition Metal Oxides 372 11.2.1.2 Inkjet Printing of Dyes on Semiconducting Oxides 373 11.2.1.3 Inkjet Printing of Ionic Liquid-Based Electrolytes 374 11.2.2 Inkjet Printing in Perovskite Solar Cell Technology 377 11.2.2.1 Inkjet Printing of Perovskite Material 378 11.3 Conclusions 379 References 379 Part IV Inorganic Materials and Process Technologies for Printable Solar Cells 383 12 Solution-Processed Kesterite Solar Cells 385 Fangyang Liu 12.1 Introduction 385 12.2 Fundamental Aspects of Kesterite Solar Cells 386 12.2.1 Crystal Structure 386 12.2.2 Phase Space and Secondary Phases 388 12.2.3 Optical and Electrical Properties 390 12.2.4 Device Architecture 391 12.3 Keterite Absorber Deposition Strategies 393 12.4 Electrodeposition 395 12.4.1 Stacked Elemental Layer (SEL) Electrodeposition 396 12.4.2 Metallic Alloy Co-electrodeposition 398 12.4.3 Chalcogenide Co-electrodeposition 399 12.5 Direct Solution Coating 400 12.5.1 Hydrazine Solution Coating 401 12.5.2 Particulate-Based Solution Coating 402 12.5.3 Molecular-Based Solution Coating 405 12.6 Conclusion 409 References 409 13 Inorganic Hole Contacts for Perovskite Solar Cells: Towards High-Performance Printable Solar Cells 423 Xingtian Yin and Wenxiu Que 13.1 Introduction 424 13.2 Transition Metal Oxides 426 13.2.1 Molybdenum Oxide (MoOx, x < 3) 426 13.2.2 Nickel Oxide (NiO) 428 13.2.2.1 Mesoscopic NiO Perovskite Solar Cells 428 13.2.2.2 Planar NiO Perovskite Solar Cells 429 13.2.3 Binary Copper Oxide (CuO and Cu2O) 439 13.2.4 Other Transition Metal Oxides 440 13.3 Non-Oxide Copper Compounds 440 13.3.1 Cuprous Iodide (CuI) 441 13.3.2 Cuprous Rhodanide (CuSCN) 441 13.3.3 Copper Sulfide (CuS) 442 13.3.4 CuAlO2 443 13.3.5 CuInS2 and Cu2ZnSnS4 444 13.4 Other Inorganic HTMs 444 13.4.1 PdS Quantum Dots (QDs) 444 13.4.2 Two-Dimensional (2D) Materials 445 13.5 Towards Printable Solar Cells 446 13.6 Conclusions and Perspectives 449 Acknowledgment 450 References 450 14 Electrode Materials for Printable Solar Cells 457 Lijun Hu, Ke Yang, Wei Chen, Falin Wu, Jiehao Fu, Wenbo Sun, Hongyan Huang, Baomin Zhao, Kuan Sun and Jianyong Ouyang 14.1 Introduction 458 14.2 Transparent Conjugated Polymers 459 14.2.1 Solvent Additive Method 460 14.2.2 Post-Treatment of PEDOT:PSS Films 461 14.2.3 Printing PEDOT:PSS Inks 463 14.3 Carbon-Based Nanomaterials 463 14.3.1 Graphene 466 14.3.2 Carbon Nanotubes 472 14.4 Metallic Nanostructures 476 14.4.1 Metal Nanomeshes 476 14.4.2 Metal Nanowire Networks 480 14.4.3 Ultrathin Metal Films 482 14.5 Multilayer Thin Films 486 14.6 Printable Metal Back Electrodes 491 14.7 Carbon-Based Back Electrodes 494 14.8 Summary and Outlook 497 Acknowledgment 498 References 498 15 Photonic Crystals for Photon Management in Solar Cells 513 Shuai Zhang, Zhongze Gu and Jian-Ning Ding 15.1 Introduction 513 15.2 Fundamentals of PCs 515 15.3 Fabrication Strategies of PCs for Photovoltaics 518 15.3.1 1D Multilayer PCs 519 15.3.2 2D PCs 524 15.3.3 3D PCs 527 15.4 Different Functionalities of PCs in Solar Cells 530 15.4.1 PC Reflectors 531 15.4.2 PC Absorbers 535 15.4.3 Front-Side PCs 538 15.4.4 PCs for Other Functionalities 540 15.5 Summary and Outlook 540 Acknowledgment 542 References 542

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Book SynopsisBasic theory, applications, and recent trends in analytical techniques used in crude oil and related products analysis This book covers the application of different spectroscopic methods to characterize crude oil and related products.Table of ContentsList of Contributors xiii Preface xvii 1 Rheological Characterization of Crude Oil and Related Products 1Flávio H. Marchesini 1.1 Introduction 1 1.2 Sample Preparation for Rheological Characterization 2 1.2.1 Ensuring the Chemical Stability 2 1.2.2 Choosing the Rheometer Geometry 3 1.2.3 Erasing theThermal Memory 4 1.2.4 Performing the Cooling Process 4 1.3 Rheological Tests 5 1.4 Potential Sources of Errors 9 References 10 2 Optical Interrogation of Petroleum Asphaltenes: Myths and Reality 13Igor N. Evdokimov 2.1 Introduction 13 2.1.1 What are Asphaltenes? 13 2.1.2 The Reasons for Intensive Asphaltene Research 14 2.1.3 No Controversy about the Elemental Composition of Asphaltenes 15 2.1.4 Continuing Debates on the Size and the Structure of Asphaltene Molecules and Aggregates 15 2.1.5 Conflicting Paradigms based on Similar Analytical Techniques: Apparent Significance of “Human Factors” 18 2.2 Mythical “Characteristic Signatures” of Asphaltenes in Optical AnalyticalMethods 19 2.2.1 Nonexistent “Resonance UV Absorption” of Asphaltenes 19 2.2.2 Mythical “CharacteristicMonomer Peaks” in Fluorescence Emission Studies 23 2.3 Misconceptions about the Properties of UV/Vis Absorption Spectra of Asphaltenes 29 2.3.1 The Myth about the Absence of Asphaltene Aggregation Effects in Optical Absorption Studies 30 2.3.2 The Myth about the “Urbach Tail” in Optical Absorption Spectra of Asphaltenes and Crude Oils 34 2.3.2.1 Tauc Range 35 2.3.2.2 Urbach Range 35 2.3.2.3 Low Absorption (Defects) Range 35 2.3.3 In the UV/Vis Spectral Range Asphaltenes Apparently Act not as Absorbers, but as Scatterers 38 2.4 Current State of Knowledge about Asphaltene Monomers and Primary Asphaltene Aggregates 42 2.4.1 Some Requirements for Preparation of Dilute Asphaltene Solutions 44 2.4.2 Multiple States/Phases of Primary Asphaltene Aggregates Revealed by Optical Absorption Measurements 46 2.4.3 Multiple States/Phases of Primary Asphaltene Aggregates Revealed by Refractive Index Measurements 47 2.4.3.1 Mean Refractive Index at Concentrations below CNAC 50 2.4.3.2 Standard Deviation of Refractive Index at Concentrations below CNAC 50 2.4.4 Conditions for Observation of Asphaltene Monomers and Evolution of Primary Asphaltene Aggregates Revealed by Fluorescence Measurements 53 2.4.4.1 Studies of Steady-State Fluorescence Emission 53 2.4.4.2 Studies of Time-Resolved Fluorescence Emission 55 2.4.5 Evolution of Primary Asphaltene Aggregates Revealed by Mass Spectrometry 56 2.4.6 “Optical Interrogation” Reveals that Primary Asphaltene Aggregates are Porous and Entrap/Occlude Molecules of Metalloporphyrins and other Compounds 58 2.4.7 Apparent Absence of “Consecutive Aggregation” in Asphaltene Experiments: Revised Description of the Observed Non-monotonic Concentration Effects in Dilute Asphaltene Solutions 62 References 65 3 ESR Characterization of Organic Free Radicals in Crude Oil and By-Products 77Marilene Turini Piccinato, Carmen Luisa Barbosa Guedes and Eduardo Di Mauro 3.1 Introduction 77 3.2 Organic-Free Radicals in Crude Oil 77 3.3 ESR of Crude Oil 78 3.4 By-Product Oil by ESR 85 3.5 ESR and Calculations on the Electronic Structure of Free Radicals in Oil By-Products 93 References 96 4 High-Field, Pulsed, and Double Resonance Studies of Crude Oils and their Derivatives 101Marat Gafurov,M. Volodin, T. Biktagirov, G. Mamin and S. B. Orlinskii 4.1 Introduction 101 4.2 EPR: Basic Principles and Magnetic Interactions 103 4.3 EPR Pulse Sequences 109 4.4 Application Examples 112 4.4.1 W-Band, Relaxation Studies of VO2+ and FR in Asphaltenes Fractions 112 4.4.2 ENDOR of VO2+ in Crude Oil Samples 116 4.5 Conclusion 121 Acknowledgments 121 References 121 5 NMR Spectroscopic Analysis in Characterization of Crude Oil and Related Products 125Siavash Iravani 5.1 Introduction 125 5.2 1HNMR and 13C NMR Spectroscopy Analysis Methods 126 5.3 NMR Techniques 127 5.4 Application of NMR Analysis in Characterization of Crude Oil and Related Products 129 5.5 Asphaltene Characterization using NMR Techniques 134 5.6 Conclusions 137 References 137 6 NMR Spectroscopy in Bitumen Characterization 141Catarina Varanda, Inês Portugal, Jorge Ribeiro, Carlos M. Silva and Artur M. S. Silva 6.1 Introduction 141 6.2 1H and 13C NMR Spectroscopy 143 6.3 Phosphorus-31 NMR Spectroscopy 152 6.4 NMR Imaging and Solid-State NMR 154 6.4.1 Solid-State NMR 154 6.4.2 NMR Imaging 155 6.5 Conclusion 156 References 157 7 Applications of Low Field Magnetic Resonance in Viscous Crude Oil/Water Property Determination 163Jonathan L. Bryan and Apostolos Kantzas 7.1 Introduction 163 7.2 Background for NMR Measurements 165 7.2.1 Interpretation of NMR Relaxation Rates 167 7.2.2 Interpretation of NMR Amplitudes 171 7.3 Fluid Content in Oil/Water Systems 175 7.4 Oil Viscosity from NMR 181 7.4.1 Viscosity Predictions in High Viscosity Bitumen 187 7.4.2 Viscosity Predictions in Oilfield Emulsions 189 7.5 Fluid Saturations and Viscosity in Porous Media 192 7.5.1 Prediction of Saturations and Viscosity from T2 relaxation distributions 193 7.5.2 Prediction of Saturations from T1–T2 Relaxation Distributions 200 7.6 NMR in Oil-Solvent Systems 206 7.6.1 Predictions of Solvent Content in Oil–Liquid Solvent Systems 207 7.6.2 Predictions of Non-Equilibrium Viscosity in Oil–Vapor Solvent Systems 213 7.7 Summary of NMR and Fluid Property Measurements 215 Acknowledgments 216 References 217 8 Application of Near-Infrared Spectroscopy to the Characterization of Petroleum 221Patricia Araujo Pantoja, Juan López-Gejo, Claudio Augusto Oller do Nascimento and Galo Antonio Carrillo Le Roux 8.1 Introduction 221 8.2 Sample Handling and Preparation 222 8.3 Near-Infrared Spectroscopy 223 8.3.1 Near-Infrared in Refineries 227 8.4 Chemometrics 228 8.4.1 Pretreatment 228 8.4.1.1 Smoothing 228 8.4.1.2 Multiplicative Scatter Correction 228 8.4.1.3 Mean Centering 229 8.4.1.4 Derivation 230 8.4.2 Calibration Model 230 8.4.2.1 Principal Component Analysis (PCA) 231 8.4.2.2 Partial Least Squares Regression 232 8.4.2.3 Artificial Neural Networks 234 8.4.3 Validation 234 8.4.4 Other Methods 235 8.5 Commercial NIR Equipment and Industrial Applications 236 8.5.1 Industrial Applications 236 8.5.1.1 Pipeline Product Analysis and Identification 238 8.5.1.2 Crude Distillation Optimization 238 8.5.1.3 Product Blending 238 8.5.1.4 Ethanol Fermentation 238 8.5.1.5 Conjugated Diolefins in Pygas 238 8.5.1.6 Regulatory Fuel Screening 238 8.6 Conclusions 239 References 239 9 Raman and Infrared Spectroscopy of Crude Oil and its Constituents 245Johannes Kiefer and Stella Corsetti 9.1 Introduction 245 9.2 Fundamentals of Raman and Infrared Spectroscopy 246 9.3 Infrared Spectroscopy 249 9.4 Raman Spectroscopy 251 9.5 Evaluation of Vibrational Spectra 257 9.6 Applications 261 9.7 Conclusion 266 References 267 Index 271

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Book SynopsisOffers the first comprehensive account of this interesting and growing research field Printed Batteries: Materials, Technologies and Applications reviews the current state of the art for printed batteries, discussing the different types and materials, and describing the printing techniques. It addresses the main applications that are being developed for printed batteries as well as the major advantages and remaining challenges that exist in this rapidly evolving area of research. It is the first book on printed batteries that seeks to promote a deeper understanding of this increasingly relevant research and application area. It is written in a way so as to interest and motivate readers to tackle the many challenges that lie ahead so that the entire research community can provide the world with a bright, innovative future in the area of printed batteries. Topics covered in Printed Batteries include, Printed Batteries: Definition, Types and AdvantageTable of Contents1 Printed Batteries: An Overview 1Juliana Oliveira, Carlos Miguel Costa and Senentxu Lanceros-Méndez 1.1 Introduction 1 1.2 Types of Printed Batteries 7 1.3 Design of Printed Batteries 9 1.4 Main Advantages and Disadvantages of Printed Batteries 11 1.4.1 Advantages 11 1.4.2 Disadvantages 12 1.5 Application Areas 13 1.6 Commercial Printed Batteries 14 1.7 Summary and Outlook 14 Acknowledgements 15 References 16 2 Printing Techniques for Batteries 21Andreas Willert, Anh-Tuan Tran-Le, Kalyan Yoti Mitra, Maurice Clair, Carlos Miguel Costa, Senentxu Lanceros-Méndez and Reinhard Baumann 2.1 Introduction/Abstract 21 2.2 Materials and Substrates 22 2.3 Printing Techniques 23 2.3.1 Screen Printing 25 2.3.1.1 Flatbed 25 2.3.1.2 Rotary 27 2.3.1.3 Screen Mesh 28 2.3.1.4 Squeegee 29 2.3.2 Stencil Printing 30 2.3.3 Flexographic Printing 31 2.3.3.1 Letterpress Printing 31 2.3.3.2 Flexography 32 2.3.4 Gravure Printing 33 2.3.5 Lithographic/Offset Printing 35 2.3.6 Coating 36 2.3.7 Inkjet 38 2.3.7.1 Inkjet Printing Technology and Applications 38 2.3.7.2 Selective View of the Market for Inkjet Technology 44 2.3.7.3 Advanced Applications: Printed Functionalities and Electronics 48 2.3.8 Drying Process 50 2.3.9 Process Chain 52 2.3.10 Printing of Layers 53 2.4 Conclusions 54 Acknowledgements 54 References 55 3 The Influence of Slurry Rheology on Lithium-ion Electrode Processing 63Ta]Jo Liu, Carlos Tiu, Li-Chun Chen and Darjen Liu 3.1 Introduction 63 3.2 Slurry Formulation 64 3.3 Rheological Characteristics of Electrode Slurry 65 3.3.1 Viscosity and Shear-Thinning 65 3.3.2 Viscoelasticity 66 3.3.3 Yield Stress 68 3.4 Effects of Rheology on Electrode Processing 69 3.4.1 Composition of Electrode Slurry 69 3.4.2 Electrode Slurry Preparation 70 3.4.2.1 Mixing Methods 70 3.4.2.2 Mixing Devices 73 3.4.3 Electrode Coating 75 3.4.4 Electrode Drying 75 3.5 Conclusion 76 List of Symbols and Abbreviations 76 References 76 4 Polymer Electrolytes for Printed Batteries 80Ela Strauss, Svetlana Menkin and Diana Golodnitsky 4.1 Electrolytes for Conventional Batteries 80 4.1.1 Polymer/Gel Electrolytes for Aqueous Batteries 81 4.1.2 Electrolytes for Lithium-ion Batteries 82 4.2 Electrolytes for Printed Batteries 84 4.2.1 Screen-printed Electrolytes 85 4.2.2 Spray-printed Electrolytes 86 4.2.3 Direct-write Printed Electrolytes 88 4.2.4 Laser-printed Electrolytes 99 4.3 Summary 107 References 108 5 Design of Printed Batteries: From Chemistry to Aesthetics 112Keun-Ho Choi and Sang-Young Lee 5.1 Introduction 112 5.2 Design of Printed Battery Components 114 5.2.1 Printed Electrodes 114 5.2.2 Printed Separator Membranes and Solid-state Electrolytes 121 5.3 Aesthetic Versatility of Printed Battery Systems 126 5.3.1 Zn/MnO2 Batteries 126 5.3.2 Supercapacitors 132 5.3.3 Li-ion Batteries 134 5.3.4 Other Systems 138 5.4 Summary and Prospects 138 Acknowledgements 141 References 141 6 Applications of Printed Batteries 144Abhinav M. Gaikwad, Aminy E. Ostfeld and Ana Claudia Arias 6.1 Printed Microbatteries 146 6.2 Printed Primary Batteries 151 6.3 Printed Rechargeable Batteries 160 6.4 High-Performance Printed Structured Batteries 169 6.5 Power Electronics and Energy Harvesting 174 References 182 7 Industrial Perspective on Printed Batteries 185Patrick Rassek, Michael Wendler and Martin Krebs 7.1 Introduction 185 7.2 Printing Technologies for Functional Printing 186 7.2.1 Flexography 188 7.2.2 Gravure Printing 190 7.2.3 Offset Printing 192 7.2.4 Screen Printing 193 7.2.5 Conclusion 197 7.3 Comparison of Conventional Battery Manufacturing Methods with Screen Printing Technology 197 7.4 Industrial Aspects of Screen-printed Thin Film Batteries 200 7.4.1 Layout Considerations 200 7.4.1.1 Sandwich Architecture (Stack Configuration) 200 7.4.1.2 Parallel Architecture (Coplanar Configuration) 201 7.4.2 Carrier Substrates and Multifunctional Substrates for Printed Batteries 203 7.4.2.1 Barrier Requirements and Material Selection 205 7.4.2.2 Process Requirements of Qualified Materials 206 7.4.3 Current Collectors 209 7.4.4 Electrodes 210 7.4.5 Electrolytes and Separator 214 7.4.6 Encapsulation Technologies 215 7.4.6.1 Screen Printing of Adhesives 215 7.4.6.2 Contact Heat Sealing 216 7.4.6.3 Ultrasonic Welding 217 7.4.7 Conclusion 219 7.5 Industrial Applications and Combination With Other Flexible Electronic Devices 220 7.5.1 Self-powered Temperature Loggers 220 7.5.2 Smart Packaging Devices 222 7.6 Industrial Perspective on Printed Batteries 223 7.6.1 Competition with Conventional Batteries 223 7.6.2 Cold Chain Monitoring 225 7.6.3 Health]monitoring Devices 226 7.7 Conclusion 226 References 227 8 Open Questions, Challenges and Outlook 230Carlos Miguel Costa, Juliana Oliveira and Senentxu Lanceros-Méndez Acknowledgements 233 References 233 Index 235

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Book SynopsisOrganic Reaction Mechanisms 2016, the 52nd annual volume in this highly successful and unique series, surveys research on organic reaction mechanisms described in the available literature dated 2016. The following classes of organic reaction mechanisms are comprehensively reviewed: Reaction of Aldehydes and Ketones and their DerivativesReactions of Carboxylic, Phosphoric, and Sulfonic Acids and their DerivativesOxidation and ReductionCarbenes and NitrenesNucleophilic Aromatic SubstitutionElectrophilic Aromatic SubstitutionCarbocationsNucleophilic Aliphatic SubstitutionCarbanions and Electrophilic Aliphatic SubstitutionElimination ReactionsPolar Addition ReactionsCycloaddition ReactionsMolecular RearrangementsTable of Contents1. Reactions of Aldehydes and Ketones and Their Derivatives 1by B. A. Murray 2. Reactions of Carboxylic, Phosphoric, and Sulfonic Acids and their Derivatives 71by C. T. Bedford 3. Oxidation and Reduction 97by K. K. Banerji 4. Carbenes and Nitrenes 201by M. G. Moloney 5. Aromatic Substitution 247by M. R. Crampton 6. Carbocations 337by D. A. Klumpp 7. Nucleophilic Aliphatic Substitution 369by K. C. Westaway 8. Carbanions and Electrophilic Aliphatic Substitution 423by M. L. Birsa 9. Elimination Reactions 449by M. L. Birsa 10. Addition Reactions: Polar Addition 463by P. Kočovský 11. Addition Reactions: Cycloaddition 661by N. Dennis 12. Molecular Rearrangements 697by J. M. Coxon Author Index 781 Subject Index 833

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Book SynopsisA guide to the methodologies, typical mathematical notation, and assumptions used in risk assessment calculations Risk Assessment describes the methodologies, the math, and assumptions needed in risk assessment calculations and explores the various statistical analysis procedures that are used for estimating the parameters employed in risk assessment approaches. The authora noted expert in the fieldoutlines a logical step-by-step approach to assessment: Identify a hazard; Analyze the risk associated with that hazard; and Determine if the elimination, or control of the risk is warranted. The text puts the focus on assessing environmental risk and describes the basics used in hypothesis testing to determine when there are differences in environmental quality at various locations. The author describes statistical techniques in approachable terms that are designed to be understandable to the non-statistician. The text downplays mathematical notation while offTable of ContentsPreface xi Author of the Book xiii Acknowledgments xv About the Companion Website xvii 1 Background to Risk Assessment and Management 1 1.1 The Case for Risk Assessment, Leading to Risk Management 1 1.2 The Need for Risk Quantification 3 1.3 Environmental Risk 5 1.4 A Measure of Quantifying Risk: Loss of Life Expectancy 5 1.5 Reliance on Environmental Data 6 1.5.1 Characteristics of Data 6 1.5.2 Indications of the Sources of Variability in Environmental Data 7 1.5.3 Independence of Successive Data Values 8 1.5.4 Uncertainties and Errors in Environmental Quality Data 9 1.6 Some Summary Indications of Approaches for Statistical Analyses 11 1.7 Overview of Book Content 12 1.8 References 12 1.9 Problems 13 Part I Methodologies for Risk Characterization 15 2 Introduction to Risk Assessment 17 2.1 Challenges in Risk Assessment 17 2.2 Categories of Risk 19 2.3 De Minimis Risk 20 2.4 Toxicological Versus Epidemiological Data 22 2.5 Basics of Environmental Risk Assessment 23 2.6 Estimating Intake (Dose) 24 2.7 Calculating the Risk for Noncarcinogens 26 2.8 Calculating Risks for Carcinogens 31 2.8.1 Background to Classification System for Carcinogens 31 2.8.2 Calculating Risk from Carcinogens 31 2.8.3 Generalization to Allow Quantification of Exposure Assessment for Other Scenarios 35 2.8.3.1 Construction/Utility Worker 36 2.9 Ecological Risk Assessment 43 2.10 Issues of Uncertainties in Risk 48 2.11 References 48 2.12 Problems 49 3 Factors Influencing the Assessment and Management of Risk 55 3.1 Background for Some of the Issues Influencing Risk Assessment and Management 55 3.2 Issues of Perception Versus Reality in Risk Assessment 55 3.2.1 Influential Roles of the Public 55 3.2.2 Differences in Risk Characterization: Public Perception Versus the Reality of Risk 56 3.2.3 Characteristics of Risk Which Influence Risk Perception 60 3.2.3.1 People’s Behavior 61 3.2.4 Magnitudes and Consequences of Risk Influence People’s Willingness to Accept Risk 61 3.2.5 Examples of Trade]Offs Between Contributing Factors 62 3.2.5.1 Underestimation of Risk 63 3.2.5.2 The Influence of Voluntary and Involuntary Aspects of Risks 65 3.2.5.3 Dreadfulness of the Outcome 65 3.2.5.4 Visibility of the Hazard 65 3.2.5.5 Media Influences on Perception of Risks 65 3.3 Qualitative Risk Characterization and Probability–Impact Matrix Procedures 66 3.3.1 Introduction to Probability–Impact Matrix Procedures 66 3.3.2 Issues with the Risk Matrix Approach 69 3.4 Microbial Risk Assessment 69 3.5 References 74 3.6 Problems 75 4 Characteristics of Environmental Quality Data 79 4.1 Background to Data 79 4.2 Characteristics of Environmental Quality Data 80 4.2.1 Indications of the Sources of Variability in Environmental Data 80 4.2.2 Independence of Successive Data Values 81 4.2.3 Uncertainties and Errors in Environmental Quality Data 82 4.3 Some Summary Indications of Approaches for Statistical Analyses 84 4.4 Samples and Populations 85 4.5 Probability and Statistics 86 4.6 Graphical Data Descriptors 86 4.6.1 Histograms of Data 87 4.6.2 Probability Density Functions 87 4.6.3 Cumulative Distribution Functions 89 4.7 Summary Measures of the Distribution of Data 91 4.7.1 Measures of Central Tendency 91 4.7.2 Measures of the Dispersion of Data: Variance, Standard Deviation, and Range 94 4.7.3 Skewness 97 4.7.4 Kurtosis 98 4.7.5 Some Summary Comments 99 4.8 Further Summary Measures of the Distribution of Data 100 4.8.1 Coefficient of Variation 100 4.8.2 Standard Error of the Mean 101 4.8.3 Standard Errors 102 4.8.4 Summary Descriptors 103 4.9 Conditional Probability and Bayes Theorem 103 4.9.1 Basic Probability Concepts 103 4.9.2 Bayes’ Theorem 105 4.10 Summary 106 4.11 References 106 4.12 Problems 107 Part II Characterization of Common Distributions 109 5 The Normal or Gaussian Distribution 111 5.1 Introduction 111 5.2 The Mathematics of the Normal Distribution 112 5.3 Tests for Normality 115 5.3.1 Coefficient of Variation Test for Normality 116 5.3.2 Skewness and Kurtosis Coefficient Tests for Normality 119 5.3.3 Probability Plots 119 5.3.4 The Chi]Square Goodness]of]Fit Test 125 5.3.5 The Kolmogorov–Smirnov Goodness]of]Fit Test 128 5.3.6 The Shapiro–Wilk W Test 130 5.3.7 The Shapiro–Francia Test 134 5.3.8 Data Transformations 135 5.3.9 Summary of Goodness]of]Fit Tests 135 5.4 The t]Distribution 136 5.5 Extent of Use of the Normal Distribution 136 5.6 Summary Comments 136 5.7 References 136 5.8 Problems 137 6 The Lognormal Distribution 141 6.1 Introduction 141 6.2 Important Features of the Lognormal Distribution 141 6.2.1 The Central Limit Theorem 141 6.2.2 The Mathematics of the Lognormal Distribution 142 6.2.3 Probability Paper 145 6.3 Tests for Lognormality 147 6.4 Generation of Lognormal Concentration Data 148 6.5 References 149 6.6 Problems 150 7 Other Distributions Useful for Characterizing Environmental Quality Data 153 7.1 Introduction 153 7.2 The Poisson Distribution 153 7.3 Extreme Value Distributions 155 7.3.1 The Gumbel Distribution 156 7.3.2 Log Pearson Type III Distribution 158 7.4 References 160 7.5 Problem 161 Part III Hypothesis Testing of Environmental Quality 163 8 Identification of System Changes and Outliers Using Control Charts 165 8.1 Introduction 165 8.2 Tolerance Intervals 166 8.3 Confidence Intervals 173 8.3.1 Confidence Limits Using the Normal Distribution (and the t]Distribution) 173 8.3.2 Confidence Limits for Lognormally Distributed Data 175 8.3.3 Distribution]Free or Nonparametric Confidence Limits 175 8.4 Prediction Interval Characterizations 176 8.4.1 The t]Distribution Prediction Intervals 176 8.5 Detection of Data Outliers 178 8.6 Summary of Approaches for Identifying Data Outliers 186 8.7 References 186 8.8 Problems 186 9 Hypothesis Testing: Testing Statistical Significance of Differences Between Data for Single Constituents 189 9.1 Introduction 189 9.2 Details of Hypothesis Testing 191 9.3 Steps for Significance Testing 193 9.4 Student’s t]Test 193 9.4.1 Development of the Equations 193 9.4.1.1 Comparing One Sample with the Population Mean 193 9.4.1.2 One]Sided Versus Two]Sided Tests 198 9.4.1.3 Comparing Two Samples for Significance of Difference 198 9.4.1.4 Assumptions Implicit in the t]Test 199 9.4.2 Effect of Unequal Variances 201 9.4.2.1 Pooled Variance 204 9.4.3 Effect of Nonnormality on the Hypothesis Test 207 9.4.4 Assumption of Independence 208 9.4.5 Examples of t]Test Applications 209 9.5 Acceptance and Rejection Regions 211 9.6 Power of the Discrimination Tests 213 9.6.1 Power of the t]Test 215 9.7 Extensions of the t]Test 216 9.7.1 Satterthwaite’s Modified t]Test 216 9.7.2 Cochran’s Approximation to the Behrens–Fisher t]Test 217 9.7.3 Paired t]Test 218 9.7.4 Summary of Alternative Tests 223 9.8 References 223 9.9 Problems 224 10 Multiple Comparisons Using Parametric Analyses 227 10.1 Introduction 227 10.2 Analysis of Variance (ANOVA) 228 10.2.1 Development of the Null Hypothesis 228 10.2.2 Multiple Comparisons and Statistical Power 229 10.2.3 One]Way ANOVA and Two]Way Tests of ANOVA 229 10.3 Testing for Homogeneity of Variance 230 10.3.1 Box Plots 230 10.3.2 Levene’s Test 230 10.3.3 Bartlett’s Test 232 10.4 ANOVA Procedure 234 10.5 Two]Way ANOVA 238 10.6 Iterations and Data Transformations 238 10.7 Concerns with Multiple Comparisons 239 10.8 Summary 239 10.9 References 240 10.10 Problems 240 11 Testing Differences Between Monitoring Records When Censored Data Records Exist 245 11.1 Introduction 245 11.2 Alternative Types of Censoring 246 11.3 Alternative Procedures for Statistical Analysis of Environmental Quality Datasets 250 11.3.1 Simple Substitution Methods 250 11.3.2 Test of Proportions 251 11.3.3 Plotting Position Procedure 253 11.3.4 Cohen’s Test 254 11.3.5 Aitchison’s Method 256 11.3.6 Maximum Likelihood Procedure 258 11.4 Multiple Detection Limits 259 11.5 References 259 11.6 Problems 260 12 Nonparametric Procedures 263 12.1 Introduction 263 12.2 Single Comparison Procedures 264 12.2.1 Mann–Whitney Test 264 12.2.1.1 Use of the Mann–Whitney Test to Test Equality of Variance 266 12.2.2 Spearman’s Rank Correlation Coefficient 266 12.2.3 Sign Test for Paired Observations 267 12.3 Multiple Comparison Procedures 268 12.3.1 Kruskal–Wallis Test (or Nonparametric ANOVA) 268 12.3.2 Special Consideration of the Kruskal–Wallis Test 271 12.4 References 274 12.5 Problems 274 Appendix A 277 Index 309

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This is the only series of volumes available that presents the cutting edge of research in chemical physics.Table of ContentsContributors to Volume 161 ix Preface to the Series xi Structural Analysis by X-ray Intensity Angular Cross Correlations 1Ruslan P. Kurta, Massimo Altarelli, and Ivan A. Vartanyants Spin Relaxation in Phase Space 41Yuri P. Kalmykov, William T. Coffey, and Serguey V. Titov Diffusion in Crowded Solutions 277George D. J. Phillies Distribution Function Approach to the Stability of Fluid Phases 359John J. Kozak, Jaroslaw Piasecki, and Piotr Szymczak Coarse-Graining with the Relative Entropy 395M. Scott Shell Entropy Theory of Polymer Glass-Formation in Variable Spatial Dimension 443Wen-Sheng Xu, Jack F. Douglas, and Karl F. Freed Polyelectrolyte Complexation 499Samanvaya Srivastava and Matthew V. Tirrell Index 545

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Book SynopsisPetroleum and natural gas still remain the single biggest resource for energy on earth. Even as alternative and renewable sources are developed, petroleum and natural gas continue to be, by far, the most used and, if engineered properly, the most cost-effective and efficient, source of energy on the planet. Contrary to some beliefs, the industry can, in fact, be sustainable, from an environmental, economic, and resource perspective. Petroleum and natural gas are, after all, natural sources of energy and do not have to be treated as pariahs. This groundbreaking new text describes hydrocarbons in basement formations, how they can be characterized and engineered, and how they can be engineered properly, to best achieve sustainability. Covering the basic theories and the underlying scientific concepts, the authors then go on to explain the best practices and new technologies and processes for utilizing basement formations for the petroleum and natural gas industries. Covering all of theTable of ContentsForeword xv 1 Introduction 1 1.1 Summary 1 1.2 Is Sustainable Petroleum Technology Possible? 2 1.3 Why is it Important to Know the Origin of Petroleum? 4 1.4 What is the Likelihood of an Organic Source? 5 1.5 What is the Implication of the Abiogenic Theory of Hydrocarbon? 6 1.6 How Important are the Fractures for Basement Reservoirs? 8 1.7 What are we Missing Out? 8 1.8 Predicting the Future? 10 1.9 What is the Actual Potential of Basement Hydrocarbons? 10 2 Organic Origin of Basement Hydrocarbons 11 2.0 Introduction 11 2.1 Sources of Hydrocarbon 13 2.2 Non-Conventional Sources of Petroleum Fluids 29 2.3 What is a Natural Energy Source? 34 2.4 The Science of Water and Petroleum 39 2.5 Comparison between Water and Petroleum 42 2.6 Combustion and Oxidation 57 2.6.1 Petroleum 59 2.6.2 Natural Gas 60 2.6.3 Natural Gas Hydrates 62 2.6.4 Tar Sand Bitumen 63 2.6.5 Coal 65 2.6.6 Oil Shale 65 2.6.7 Wax 66 2.6.8 Biomass 67 3 Non-organic Origin of Basement Hydrocarbons 69 3.0 Introduction 69 3.1 Theories of Non-organic Origin of Basement Petroleum 70 3.2 Formation of Magma 72 3.2.1 Magma Escape Routes 73 3.2.2 Magma Chamber 74 3.2.3 Types of Magma 78 3.2.3.1 Mafic Magma 80 3.2.3.2 Intermediate Magma 80 3.2.3.3 Felsic Magma 81 3.3 The Composition of Magma 82 3.4 The Dynamics of Magma 85 3.5 Water in the Mantle 103 3.6 The Carbon Cycle and Hydrocarbon 108 3.7 Role of Magma During the Formation of Hydrocarbon from Organic Sources 118 3.8 Abiogenic Petroleum Origin Theory 119 3.8.1 Diamond as Source of Hydrocarbons 128 3.8.2 Oil and Gas Deposits in the Precambrian Crystalline Basement 132 3.8.3 Supergiant Oil and Gas Accumulations 138 3.8.4 Gas Hydrates – the Greatest Source of Abiogenic Petroleum 142 4 Characterization of Basement Reservoirs 147 4.0 Summary 147 4.1 Introduction 147 4.2 Natural and Artificial Fractures 151 4.2.1 Overall in Situ Stress Orientations 161 4.3 Developing Reservoir Characterization Tools for Basement Reservoirs 162 4.4 Origin of Fractures 171 4.5 Seismic Fracture Characterization 178 4.5.1 Effects of Fractures on Normal Moveout (NMO) Velocities and P-wave Azimuthal AVO Response 181 4.5.2 Effects of Fracture Parameters on Properties of Anisotropic Parameters and P-wave NMO Velocities 182 4.6 Reservoir Characterization During Drilling 185 4.6.1 Overbalanced Drilling 191 4.6.2 Underbalanced Drilling (UBD) 193 4.7 Reservoir Characterization with Image Log and Core Analysis 202 4.7.1 Geophysical Logs 205 4.7.1.1 Circumferential Borehole Imaging Log (CBIL) 213 4.7.1.2 Petrophysical Data Analysis using Nuclear Magnetic Resonance (NMR) 220 4.7.2 Core Analysis 228 4.8 Major Forces of Oil and Gas Reservoirs 237 4.9 Reservoir Heterogeneity 255 4.9.1 Filtering Permeability Data 263 4.9.2 Total Volume Estimate 267 4.9.3 Estimates of Fracture Properties 268 4.10 Special Considerations for Shale 268 5 Case Studies of Fractured Basement Reservoirs 273 5.0 Summary 273 5.1 Introduction 274 5.2 Geophysical Tools 282 5.2.1 Scale Considerations in Logging Fracture Rocks 283 5.2.2 Fracture Applications of Conventional Geophysical Logs 284 5.2.3 Borehole Techniques 290 5.2.3.1 Borehole Wall Imaging 291 5.2.4 Micro Log Analysis 294 5.2.4.1 High-definition Formation Microimager 295 5.2.4.2 Micro-Conductivity Imager Tool (MCI) 299 5.2.4.3 Multistage Geometric Analysis Method 300 5.2.5 Fracture Identifications using Neural Networks 303 5.3 Petro-physics in Fracture Modeling, Special Logs and their Importance 303 5.3.1 Measurement While Drilling (MWD) 303 5.3.1.1 Formation Properties 305 5.3.2 Mud Logging 306 5.3.2.1 Objectives of Mud Logging 306 5.3.2.2 Mud Losses into Natural Fractures 307 5.3.3 Conventional Logging 308 5.3.3.1 Resistivity Logging 308 5.3.3.2 Porosity Logging 308 5.3.3.3 Combination Tools 308 5.3.3.4 Cased-Hole Logging 309 5.3.4 Magnetic Resonance Imaging (MRI), Nuclear Magnetic Resonance (NMR), Ultra Sonography 309 5.3.4.1 Magnetic Resonance Imaging 309 5.3.4.2 Nuclear Magnetic Resonance 310 5.3.4.3 Ultra-Sonography 311 5.4 Case Study of Vietnam 312 5.5 Case Studies from USA 323 5.5.1 Tuning/Vertical Resolution Analysis 327 5.5.2 Conclusion on Case Study 329 5.5.3 Geological Techniques 329 5.5.3.1 Data and Methods 330 5.5.3.2 Distinguishing Natural Fractures from Induced Fractures and their Well-Logging Response Features 333 5.5.3.3 Analysis of well-Logging Responses to Fractures and Establishment of Interpretation Model 334 5.5.3.4 Distribution of Natural Fracture 335 6 Scientific Characterization of Basement Reservoirs 337 6.1 Summary 337 6.2 Introduction 338 6.3 Characteristic Time 342 6.4 Organic and Mechanical Frequencies 349 6.5 Redefining Force and Energy 351 6.5.1 Energy 351 6.6 Natural Energy vs. Artificial Energy 362 6.7 From Natural Energy to Natural Mass 368 6.8 Organic Origin of Petroleum 397 6.9 Scientific Ranking of Petroleum 403 6.10 Placement of Basement Reservoirs in the Energy Picture 414 6.10.1 Reserve Growth Potential of Basement Oil/Gas 424 6.10.2 Reservoir Categories in the United States 425 6.10.2.1 Eolian Reservoirs 427 6.10.2.2 Interconnected Fluvial, Deltaic, and Shallow Marine Reservoirs 434 6.10.2.3 Deeper Marine Shales 440 6.10.2.4 Marine Carbonate Reservoirs 443 6.10.2.5 Submarine Fan Reservoir 446 6.10.2.6 Fluvial Reservoir 446 6.10.3 Quantitative Measures of Well Production Variability 451 7 Overview of Reservoir Simulation of Basement Reservoirs 459 7.1 Summary 459 7.2 Introduction 460 7.2.1 Vugs and Fractures Together (Triple Porosity): 465 7.3 Meaningful Modeling 466 7.4 Essence of Reservoir Simulation 468 7.4.1 Assumptions behind Various Modeling Approaches 469 7.4.1.1 Material Balance Equation 471 7.4.1.2 Decline Curve 473 7.4.1.3 Statistical Method 482 7.4.1.4 Finite Difference Methods 487 7.5 Modeling Fractured Networks 493 7.5.1 Introduction 493 7.5.2 Double Porosity Models 493 7.5.2.1 The Baker Model 495 7.5.2.2 The Warren-Root Model 1963 496 7.5.2.3 The Kazemi Model 496 7.5.3 The De Swaan Model 497 7.5.4 Modeling of Double Porosity Reservoirs 497 7.5.5 Dimensionless Variables 498 7.5.6 Influence of Double-Porosity Parameters 501 7.5.6.1 Influence of ω: 502 7.5.6.2 Influence of λ: 502 7.6 Double Permeability Models 504 7.6.1 Basic Assumptions for Double Permeability Model 505 7.6.2 Dimensionless Variables 507 7.6.3 Double Permeability Behavior when the two Layers are Producing 508 7.6.4 Influence of Double Permeability Parameters 508 7.6.4.1 Influence of κ and ω: 508 7.6.4.2 Influence of λ: 511 7.6.5 Double Permeability Behavior when only One Layer is Producing 511 7.7 Reservoir Simulation Data Input 514 7.8 Geological and Geophysical Modeling 516 7.9 Reservoir Characterization 518 7.9.1 Representative Elementary Volume, REV 520 7.9.2 Fluid and Rock Properties 523 7.9.2.1 Fluid Properties 523 7.10 Risk Analysis and Reserve Estimations 524 7.10.1 Special Conditions of Unconventional Reservoirs 524 7.10.1.1 Fluid Saturation 525 7.10.1.2 Transition Zones 525 7.10.1.3 Permeability-Porosity Relationships 525 7.10.1.4 Compressibility of the Fractured Reservoirs 526 7.10.1.5 Capillary Pressure 526 7.10.2 Recovery Mechanisms in Fractured Reservoirs 528 7.10.2.1 Expansion 528 7.10.2.2 Sudation 530 7.10.2.3 Convection and Diffusion 532 7.10.2.4 Multiphase Flow in the Fracture Network 532 7.10.2.5 Interplay of the Recovery Processes 533 7.10.2.6 Cyclic Water Injection 533 7.10.2.7 Localized Deformation of Fluid Contacts 534 7.10.3 Specific Aspects of a Fractured Reservoir 535 7.10.3.1 Material Balance Relationships 535 7.10.4 Migration of Hydrocarbons in a Fractured Reservoir and Associated Risks 538 7.10.4.1 The Case of Fracturing Followed by Hydrocarbon Migration 538 7.11 Recent Advances in Reservoir Simulation 542 7.11.1 Speed and Accuracy 542 7.11.2 New Fluid Flow Equations 543 7.11.3 Coupled Fluid Flow and Geo-Mechanical Stress Model 545 7.11.4 Fluid Flow Modeling under Thermal Stress 547 7.11.5 Challenges of Modeling Unconventional Gas Reservoirs 547 7.12 Comprehensive Modeling 556 7.12.1 Governing Equations 556 7.12.2 Darcy’s Model 557 7.12.3 Forchheimer’s Model 558 7.12.4 Modified Brinkman’s Model 561 7.12.5 The Comprehensive Model 564 7.13 Towards Solving Non-Linear Equations 568 7.13.1 Adomian Domain Decomposition Method 569 7.13.2 Governing Equations 571 7.14 Adomian Decomposition of Buckley-Leverett Equation 573 7.14.1 Discussion 576 8 Conclusions and Recommendations 581 8.1 Concluding Remarks 581 8.2 Answers to the Research Questions 582 8.2.1 Is Sustainable Petroleum Technology Possible? 582 8.2.2 Why is it Important to Know the Origin of Petroleum? 582 8.2.3 What is the Likelihood of an Organic Source for Basement Fluids? 583 8.2.4 What is the Implication of the Abiogenic Theory of Hydrocarbon? 583 8.2.5 How Important are the Fractures for Basement Reservoirs? 583 8.2.6 What are we Missing Out? 584 8.2.7 Predicting the Future? 584 8.2.8 What is the Actual Potential of Basement Hydrocarbons? 584 9 References and Bibliography 587 Index 619

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Book SynopsisPresents a comprehensive account of established protecting-group-free synthetic routes to molecules of medium to high complexity This book supports synthetic chemists in the design of strategies, which avoid or minimize the use of protecting groups so as to come closer to achieving an ideal synthesis and back the global need of practicing green chemistry. The only resource of its kind to focus entirely on protecting-group-free synthesis, it is edited by a leading practitioner in the field, and features enlightening contributions by top experts and researchers from across the globe. The introductory chapter includes a concise review of historical developments, and discusses the concepts, need for, and future prospects of protecting-group-free synthesis. Following this, the book presents information on protecting-group-free synthesis of complex natural products and analogues, heterocycles, drugs, and related pharmaceuticals. Later chapters discuss practicing proteTable of ContentsList of Contributors xi Foreword by Prof. W. Hoffmann xiii Foreword by Prof. G. Mehta xv Preface xvii 1 Introduction: Concepts, History, Need, and Future Prospects of Protecting-Group-Free Synthesis 1Rodney A. Fernandes 1.1 Introduction, Concepts, and Brief History 1 1.2 Need and Future Prospects of Protecting-Group-Free Synthesis 7 References 8 2 Protecting-Group-Free Synthesis of Natural Products and Analogs, Part I 11Rodney A. Fernandes 2.1 Introduction 11 2.2 Mytilipin A 12 2.3 Chokols 13 2.4 (±)-Diospongin A 14 2.5 (−)-Bitungolide F 15 2.6 (+)-Brevisamide 16 2.7 21,22-Diepi-membrarolin 17 2.8 (±)-Pogostol and (±)-Kessane 18 2.9 (+)-Allopumiliotoxin 267A 19 2.10 (−)-Hortonones A-C 19 2.11 (−)-Heliophenanthrone 21 2.12 (−)-Pycnanthuquinone C 21 2.13 (+)-Aplykurodinone-1 22 2.14 (±)-Hippolachnin A 23 2.15 (+)-Linoxepin 25 2.16 (+)-Antofine and (-)-Cryptopleurine 26 2.17 (+)-Tylophorine 28 2.18 (±)-Cruciferane 30 2.19 (+)-Artemisinin 31 2.20 (±)-Dievodiamine 32 2.21 (−)-Chaetominine 33 2.22 Rubicordifolin 34 2.23 (+)-Caribenol A 35 2.24 Camptothecin and 10-Hydroxycamptothecin 35 2.25 (+)-Ainsliadimer A 37 2.26 Cannabicyclol, Clusiacyclols A and B, Iso-Eriobrucinols A and B, and Eriobrucinol 37 2.27 (−)-Mersicarpine, (−)-Scholarisine G, (+)-Melodinine, (−)-Leuconoxine, and (−)-Leuconolam 38 2.28 (−)-Lannotinidine B 40 2.29 (−)-Lycopodine 41 2.30 (−)-Lycospidine A 42 2.31 Transtaganolides C and D 43 2.32 (+)-Chatancin 44 2.33 (−)-Jiadifenolide 45 2.34 Pallambins C and D 46 2.35 (+)-Vellosimine 46 2.36 (−)-Pallavicinin and (+)-Neopallavicinin 47 2.37 Asteriscunolides A-D and Asteriscanolide 49 2.38 (−)-and (+)-Palmyrolide A 50 2.39 (±)-Bipinnatin J 51 2.40 Cyanolide 52 2.41 Conclusions 53 References 55 3 Protecting-Group-Free Synthesis of Natural Products and Analogs, Part II 59Hiroyoshi Takamura and Isao Kadota 3.1 Introduction 59 3.2 Hapalindole U and Ambiguine H 60 3.3 Stenine 61 3.4 Neostenine 63 3.5 Englerin A 64 3.6 Shimalactones A and B 66 3.7 Cyanthiwigin F 66 3.8 Sintokamides A, B, and E 69 3.9 Ecklonialactones A and B 69 3.10 (E)- and (Z)-Alstoscholarines 72 3.11 Berkelic Acid 73 3.12 Myxalamide A 74 3.13 Pipercyclobutanamide A 76 3.14 Fusarisetin A 78 3.15 Rhazinilam 78 3.16 Yezo'otogirin C 81 3.17 Clavosolide A 81 3.18 Conclusion 84 References 84 4 Protecting-Group-Free Synthesis of Natural Products and Analogs, Part III 87Alakesh Bisai and Vishnumaya Bisai 4.1 Introduction 87 4.2 Syntheses of Naturally Occurring Alkaloids 88 4.3 Syntheses of Naturally Occurring Terpenoids 105 4.4 Conclusions 124 References 125 5 Protecting-Group-Free Synthesis of Heterocycles 133Trapti Aggarwal and Akhilesh K. Verma 5.1 Introduction 133 5.2 Historical Background of Protection-Free Strategy 134 5.3 Protecting-Group-Free (PGF) Strategy for the Synthesis of N-Heterocycles 135 5.3.1 Carbazole Substituted Compounds Using PGF Strategy 135 5.3.2 Protection-Free Synthesis of Indole-Substituted Compounds 139 5.3.3 Synthesis of Pyrrole Analogs Using Protecting-Group-Free Strategy 140 5.4 Protection-Free Synthesis of Quinoline Derivatives 142 5.5 Synthesis of Piperidine-Containing Heterocycles Without Using Protecting Groups 143 5.6 Synthesis of Quinazolines Without Using Protecting Groups 144 5.7 Protection-Free Synthesis of Pyrrolizine Alkaloid (−)-Rosmarinecine 145 5.8 Protecting-Group-Free Synthesis of O-Heterocycles 145 5.9 Protecting-Group-Free Synthesis of N,S-Heterocycles 148 5.10 Protection-Free Synthesis of Macrocyclic Ring Heterocycles 149 5.11 Protection-Free Synthesis of Thiophene Polymer 150 5.12 Protection-Free Synthesis of Azaborine 150 5.13 Conclusion 151 References 151 6 Protecting-Group-Free Synthesis of Drugs and Pharmaceuticals 155Remya Ramesh, Swapnil Sonawane, D. Srinivasa Reddy, and Rakeshwar Bandichhor 6.1 Introduction 155 6.2 Raltegravir 158 6.3 Levetiracetam 160 6.4 Sitagliptin 163 6.4.1 Medicinal Chemistry Route 164 6.4.2 Process Chemistry Route 166 6.4.3 Greener Approach 167 6.5 Paroxetine 168 6.5.1 Medicinal Chemistry Route 168 6.5.2 Process Chemistry Route 170 6.5.3 Greener Approach 170 6.6 Synthesis of PI3K/mTOR Inhibitor Apitolisib 171 6.7 Azepinomycin 174 6.8 One-Pot Synthesis of Sulfanyl-histidine 175 6.9 Synthesis of an Antiwrinkle Venom Analog 175 6.10 Preparation of 5-Arylidene Rhodanine and 2,4-Thiazolidinediones 176 6.11 Se-Adenosyl-L-Selenomethionine and Analogs 177 6.12 Conclusions 178 Acknowledgment 179 References 179 7 Protecting-Group-Free Synthesis in Carbohydrate Chemistry 183Alejandro Cordero-Vargas and Fernando Sartillo-Piscil 7.1 Introduction 183 7.2 Protecting-Group-Free Total Synthesis (PGF-TS) 184 7.3 Selective PGF Functionalization at the Anomeric Position (O-, N-, and C-Glycosylation) 189 7.4 Selective PGF Functionalization at the Anomeric and Nonanomeric Positions (Oxidations) 196 7.5 Conclusion 197 References 198 8 Protecting-Group-Free Synthesis of Glycosyl Derivatives, Glycopolymers, and Glycoconjugates 201Tomonari Tanaka 8.1 Introduction 201 8.2 Protecting-Group-Free Synthesis of Glycosyl Derivatives from Free Saccharides 202 8.3 Protecting-Group-Free Synthesis of Glycopolymers 214 8.4 Protecting-Group-Free Synthesis of Glycoconjugates 219 8.5 Conclusions 223 References 225 9 Latent Functionality: A Tactic Toward Formal Protecting-Group-Free Synthesis 229Rodney A. Fernandes 9.1 Introduction 229 9.2 Latent Functionality for Direct Conversions Using Short-Term Latent Groups 230 9.3 Silicon-Centered Latent Functionalities 235 9.4 Latent Functionality in Total Synthesis (Long-Term Latent Groups) 240 9.5 Symmetry-Based Latent Functionality Considerations 248 9.6 Conclusions 254 References 255 Index 259

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Book SynopsisA guide to lithium sulfur batteries that explores their materials, electrochemical mechanisms and modelling and includes recent scientific developments Lithium Sulfur Batteries (Li-S) offers a comprehensive examination of Li-S batteries from the viewpoint of the materials used in their construction, the underlying electrochemical mechanisms and how this translates into the characteristics of Li-S batteries. The authors noted experts in the field outline the approaches and techniques required to model Li-S batteries. Lithium Sulfur Batteries reviews the application of Li-S batteries for commercial use and explores many broader issues including the development of battery management systems to control the unique characteristics of Li-S batteries. The authors include information onsulfur cathodes, electrolytes and other components used in making Li-S batteries and examine the role of lithium sulfide, the shuttle mechanism and its effects, and degradaTable of ContentsPreface xiii Part I Materials 1 1 Electrochemical Theory and Physics 3Geraint Minton 1.1 Overview of a LiS cell 3 1.2 The Development of the Cell Voltage 5 1.2.1 Using the Electrochemical Potential 7 1.2.2 Electrochemical Reactions 10 1.2.3 The Electric Double Layer 13 1.2.4 Reaction Equilibrium 15 1.2.5 A Finite Electrolyte 17 1.2.6 The Need for a Second Electrode 17 1.3 Allowing a Current to Flow 19 1.3.1 The Reaction Overpotential 20 1.3.2 The Transport Overpotential 21 1.3.3 General Comments on the Overpotentials 22 1.4 Additional Processes Which Define the Behavior of a LiS Cell 22 1.4.1 Multiple Electrochemical Reactions at One Surface 22 1.4.2 Chemical Reactions 23 1.4.3 Species Solubility and Indirect Reaction Effects 25 1.4.4 Transport Limitations in the Cathode 25 1.4.5 The Active Surface Area 26 1.4.6 Precipitate Accumulation 27 1.4.7 Electrolyte Viscosity, Conductivity, and Species Transport 27 1.4.8 Side Reactions and SEI Formation at the Anode 28 1.4.9 Anode Morphological Changes 29 1.4.10 Polysulfide Shuttle 29 1.5 Summary 30 References 30 2 Sulfur Cathodes 33Holger Althues, Susanne Dörfler, Sören Thieme, Patrick Strubel and Stefan Kaskel 2.1 Cathode Design Criteria 33 2.1.1 Overview of Cathode Components and Composition 33 2.1.2 Cathode Design: Role of Electrolyte in Sulfur Cathode Chemistry 34 2.1.3 Cathode Design: Impact on Energy Density on Cell Level 35 2.1.4 Cathode Design: Impact on Cycle Life and Self-discharge 36 2.1.5 Cathode Design: Impact on Rate Capability 37 2.2 Cathode Materials 37 2.2.1 Properties of Sulfur 37 2.2.2 Porous and Nanostructured Carbons as Conductive Cathode Scaffolds 39 2.2.2.1 Graphite-Like Carbons 39 2.2.2.2 Synthesis of Graphite-like Carbons 39 2.2.2.3 Carbon Black 40 2.2.2.4 Activated Carbons 41 2.2.2.5 Carbide-Derived Carbon 42 2.2.2.6 Hard-Template-Assisted Carbon Synthesis 42 2.2.2.7 Carbon Surface Chemistry 43 2.2.3 Carbon/Sulfur Composite Cathodes 43 2.2.3.1 Microporous Carbons 44 2.2.3.2 Mesoporous Carbons 45 2.2.3.3 Macroporous Carbons and Nanotube–based Cathode Systems 46 2.2.3.4 Hierarchical Mesoporous Carbons 47 2.2.3.5 Hierarchical Microporous Carbons 49 2.2.3.6 Hollow Carbon Spheres 50 2.2.3.7 Graphene 51 2.2.4 Retention of LiPS by Surface Modifications and Coating 51 2.2.4.1 Metal Oxides as Adsorbents for Lithium Polysulfides 56 2.3 Cathode Processing 57 2.3.1 Methods for C/S Composite Preparation 57 2.3.2 Wet (Organic, Aqueous) and Dry Coating for Cathode Production 58 2.3.3 Alternative Cathode Support Concepts (Carbon Current Collectors, Binder-free Electrodes) 59 2.3.4 Processing Perspective for Carbons, Binders, and Additives 59 2.4 Conclusions 59 References 61 3 Electrolyte for Lithium–Sulfur Batteries 71Marzieh Barghamadi, Mustafa Musameh, Thomas Rüther, Anand I. Bhatt, Anthony F. Hollenkamp and Adam S. Best 3.1 The Case for Better Batteries 71 3.2 Li–S Battery: Origins and Principles 72 3.3 Solubility of Species and Electrochemistry 74 3.4 Liquid Electrolyte Solutions 75 3.5 Modified Liquid Electrolyte Solutions 91 3.5.1 Variation in Electrolyte Salt Concentration 91 3.5.2 Mixed Organic–Ionic Liquid Electrolyte Solutions 91 3.5.3 Ionic Liquid Electrolyte Solutions 93 3.6 Solid and Solidified Electrolyte Configurations 96 3.6.1 Polymer Electrolytes 96 3.6.1.1 Absorbed Liquid/Gelled Electrolyte 96 3.6.1.2 Solid Polymer Electrolytes 98 3.6.2 Non-polymer Solid Electrolytes 100 3.7 Challenges of the Cathode and Solvent for Device Engineering 102 3.7.1 The Cathode Loading Challenge 102 3.7.2 Cathode Wetting Challenge 104 3.8 Concluding Remarks and Outlook 108 References 111 4 Anode–Electrolyte Interface 121Mark Wild 4.1 Introduction 121 4.2 SEI Formation 121 4.3 Anode Morphology 122 4.4 Polysulfide Shuttle 123 4.5 Electrolyte Additives for Stable SEI Formation 123 4.6 Barrier Layers on the Anode 125 4.7 A Systemic Approach 126 References 126 Part II Mechanisms 129 Reference 131 5 Molecular Level Understanding of the Interactions Between Reaction Intermediates of Li–S Energy Storage Systems and Ether Solvents 133Rajeev S. Assary and Larry A. Curtiss 5.1 Introduction 133 5.2 Computational Details 135 5.3 Results and Discussions 135 5.3.1 Reactivity of Li–S Intermediates with Dimethoxy Ethane (DME) 136 5.3.2 Kinetic Stability of Ethers in the Presence of Lithium Polysulfide 138 5.3.3 Linear Fluorinated Ethers 140 5.4 Summary and Conclusions 144 Acknowledgments 144 References 144 6 Lithium Sulfide 147Sylwia Walu´s 6.1 Introduction 147 6.2 Li2S as the End Discharge Product 148 6.2.1 General 148 6.2.2 Discharge Product: Li2S or Li2S2/Li2S? 151 6.2.3 A Survey of Experimental andTheoretical Findings Involving Li2S and Li2S2 Formation and Proposed Reduction Pathways 153 6.2.4 Mechanistic Insight into Li2S/Li2S2 Nucleation and Growth 157 6.2.5 Strategies to Limit Li2S Precipitation and Enhance the Capacity 160 6.2.6 Charge Mechanism and its Difficulties 161 6.3 Li2S-Based Cathodes: Toward a Li Ion System 164 6.3.1 General 164 6.3.2 Initial Activation of Li2S – Mechanism of First Charge 165 6.3.3 Recent Developments in Li2S Cathodes for Improved Performances 171 6.4 Summary 176 References 176 7 Degradation in Lithium–Sulfur Batteries 185Rajlakshmi Purkayastha 7.1 Introduction 185 7.2 Degradation Processes Within a Lithium–Sulfur Cell 190 7.2.1 Degradation at Cathode 190 7.2.2 Degradation at Anode 194 7.2.3 Degradation in Electrolyte 197 7.2.4 Degradation Due to Operating Conditions: Temperature, C-Rates, and Pressure 200 7.2.5 Degradation Due to Geometry: Scale-Up and Topology 205 7.3 Capacity Fade Models 209 7.3.1 Dendrite Models 211 7.3.2 Equivalent Circuit Network Models 213 7.4 Methods of Detecting and Measuring Degradation 214 7.4.1 Incremental Capacity Analysis 215 7.4.2 Differential Thermal Voltammetry 215 7.4.3 Electrochemical Impedance Spectroscopy 215 7.4.4 Resistance Curves 216 7.4.5 Macroscopic Indicators 217 7.5 Methods for Countering Degradation 218 7.6 Future Direction 221 References 222 Part III Modeling 227 8 Lithium–Sulfur Model Development 229Teng Zhang, Monica Marinescu and Gregory J. Offer 8.1 Introduction 229 8.2 Zero-Dimensional Model 231 8.2.1 Model Formulation 231 8.2.1.1 Electrochemical Reactions 231 8.2.1.2 Shuttle and Precipitation 232 8.2.1.3 Time Evolution of Species 233 8.2.1.4 Model Implementation 233 8.2.2 Basic Charge/Discharge Behaviors 233 8.3 Modeling Voltage Loss in Li–S Cells 236 8.3.1 Electrolyte Resistance 237 8.3.2 Anode Potential 238 8.3.3 Surface Passivation 239 8.3.4 Transport Limitation 240 8.4 Higher Dimensional Models 242 8.4.1 One-Dimensional Models 242 8.4.2 Multi-Scale Models 244 8.5 Summary 245 References 246 9 Battery Management Systems – State Estimation for Lithium–Sulfur Batteries 249Daniel J. Auger, Abbas Fotouhi, Karsten Propp and Stefano Longo 9.1 Motivation 249 9.1.1 Capacity 249 9.1.2 State of Charge (SoC) 251 9.1.3 State of Health (SoH) 251 9.1.4 Limitations of Existing Battery State Estimation Techniques 252 9.1.4.1 SoC Estimation from “Coulomb Counting” 252 9.1.4.2 SoC Estimation from Open-Circuit Voltage (OCV) 253 9.1.5 Direction of Current Work 253 9.2 Experimental Environment for Li–S Algorithm Development 254 9.2.1 Pulse Discharge Tests 255 9.2.2 Driving Cycle Tests 255 9.3 State Estimation Techniques from Control Theory 256 9.3.1 Electrochemical Models 257 9.3.2 Equivalent Circuit Network (ECN) Models 258 9.3.3 Kalman Filters and Their Derivatives 259 9.4 State Estimation Techniques from Computer Science 261 9.4.1 ANFIS as a Modeling Tool 261 9.4.2 Human Knowledge and Fuzzy Inference Systems (FIS) 263 9.4.3 Adaptive Neuro-Fuzzy Inference Systems 266 9.4.4 State-of-Charge Estimation Using ANFIS 268 9.5 Conclusions and Further Directions 269 Acknowledgments 270 References 270 Part IV Application 273 10 Commercial Markets for Li–S 275Mark Crittenden 10.1 Technology Strengths Meet Market Needs 275 10.1.1 Weight 275 10.1.2 Safety 276 10.1.3 Cost 276 10.1.4 Temperature Tolerance 276 10.1.5 Shipment and Storage 277 10.1.6 Power Characteristics 277 10.1.7 Environmentally Friendly Technology (Clean Tech) 278 10.1.8 Pressure Tolerance 278 10.1.9 Control 278 10.2 Electric Aircraft 278 10.3 Satellites 280 10.4 Cars 280 10.5 Buses 282 10.6 Trucks 283 10.7 Electric Scooter and Electric Bikes 284 10.8 Marine 285 10.9 Energy Storage 285 10.10 Low-Temperature Applications 286 10.11 Defense 286 10.12 Looking Ahead 286 10.13 Conclusion 287 11 Battery Engineering 289Gregory J. Offer 11.1 Mechanical Considerations 289 11.2 Thermal and Electrical Considerations 289 References 292 12 Case Study 293Paul Brooks 12.1 Introduction 293 12.2 A Potted History of Eternal Solar Flight 293 12.3 Why Has It Been So Difficult? 295 12.4 Objectives of HALE UAV 297 12.4.1 Stay Above the Cloud 298 12.4.2 Stay Above the Wind 298 12.4.3 Stay in the Sun 299 12.4.4 Year-Round Markets 300 12.4.5 Seasonal Markets 303 12.4.6 How Valuable Are These Markets and What Does That Mean for the Battery? 303 12.5 Worked Example – HALE UAV 303 12.6 Cells, Batteries, and Real Life 305 12.6.1 Cycle Life, Charge, and Discharge Rates 305 12.6.2 Payload 306 12.6.3 Avionics 306 12.6.4 Temperature 306 12.6.5 End-of-Life Performance 306 12.6.6 Protection 306 12.6.7 Balancing – Useful Capacity 307 12.6.8 Summary of Real-World Issues 307 12.7 A Quick Aside on Regenerative Fuel Cells 308 12.8 So What Do We Need from Our Battery Suppliers? 309 12.9 The Challenges for Battery Developers 310 12.10 The Answer to the Title 310 12.11 Summary 310 Acknowledgments 311 References 311 Index 313

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Book SynopsisThe 95th volume in this series for organic chemists in 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 Julia–Kocienski Olefination 1Paul R. Blakemore, Selena Milicevic Sephton, and Engelbert Ciganek 2. Asymmetric Synthesis of β-Lactams by the Staudinger Reaction 423Aitor Landa, Antonia Mielgo, Mikel Oiarbide, and Claudio Palomo Cumulative Chapter Titles by Volume 595 Author Index, Volumes 1–95 613 Chapter and Topic Index, Volumes 1–95 619

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Book SynopsisThe 94th volume in this series for organic chemists in 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. [3 + 2] Dipolar Cycloadditions of Cyclic Nitrones with Alkenes 1Alberto Brandi, Francesca Cardona, Stefano Cicchi, Franca M. Cordero, and Andrea Goti Cumulative Chapter Titles by Volume 531 Author Index, Volumes 1–94 549 Chapter and Topic Index, Volumes 1–94 555

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Book SynopsisNitrogen is unique among the non-carbon atoms in its ability to form single, double, and triple bonds with itself, giving rise to a wide range of organic-chemical groups containing several nitrogen atoms in different states and geometries. The present volume surveys the properties and chemical behaviour of all important nitrogen-rich organic-chemical groups, including azides, azimines, aziridines, diazo compounds, nitramines, nitrenes, nitrosamines, polyazine N-oxides, tetrazoles, triazanes, triazenes, and triazoles. A special focus lies on commercially important species which are used, e. g., as powerful explosives. PATAI''s Chemistry of Functional Groups publishes comprehensive reviews on all aspects of specific functional groups. Each volume contains outstanding surveys on theoretical and computational aspects, NMR, MS, other spectroscopic methods and analytical chemistry, structural aspects, thermochemistry, photochemistry, synthetic approaches and strategies, synthetic useTable of Contents1. Introduction to the energetics and thermochemical aspects of polynitrogen species 1Suzanne W. Slayden, Alexander Greer, and Joel F. Liebman 2. Stable hydrazyls and push–pull (capto-dative) aminyl free radicals 17Alexandru T. Balaban 3. New combinations of organic azides and adjacent functional groups 27Klaus Banert 4. Bridged azobenzenes and their chemical applications 65David J. Warner, Katie S. Keane, and Silas C. Blackstock 5. Click chemistry and nitrogen-containing heterocycles formed in surface functionalization reactions 115Yuan Chen, Hao Fan, and Elena Galoppini 6. Triplet vinylnitrenes 161Upasana Banerjee, Kosala Thenna-Hewa, and Anna D. Gudmundsdottir 7. Nitrogen catenation: polyazoles and polyazines 199Peter Politzer and Jane S. Murray 8. N-Oxides of polyazoles and polyazines 231Peter Politzer and Jane S. Murray 9. Bridged azobenzenes and their biological applications 251David J. Warner, Katie S. Keane, Carl Jacky Saint-Louis, and Silas C. Blackstock 10. Thermochemical insights on small nitrogen heterocyclic compounds 287Vera L. S. Freitas and Maria D. M. C. Ribeiro da Silva 11. Some thermochemical aspects of acyclic polynitrogen species 329Suzanne W. Slayden, Alexander Greer, and Joel F. Liebman 12. The Brønsted acid/base character of the N−N and N=N bonds 357John E. Bartmess Subject index 385

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Book SynopsisThe revised edition of the guide to environmental impact of pharmaceuticals and personal care products The revised and updated second edition of Pharma-Ecologyjoins the health and environmental sciences professions'' concern over the occurrence and fate of pharmaceutical and personal care products (PPCPs) in the environment and explores how to best minimize their impact. The text highlights the biological effects of various classes of pharmaceutical compounds under clinical settings, their modes of action, and approximate quantities consumed. The second edition contains the most recent knowledge about the ecological impact of PPCPs as more sensitive detection techniques have become available, since the book was first published. The second edition offers the most up-to-date information on pharma ecology and bridges the gap between medicine, public health, and environmental science. This new edition contains helpful learning objectives for each chapter, as Table of ContentsPreface ix 1 Usage of Pharmaceutical and Personal Care Products 1 1.1 Pharmaceutical Consumption Trends 9 Study Questions 11 References 12 2 Most Prescribed Pharmaceuticals and Related Endpoints 15 2.1 Antihypertensive and Cardiovascular 16 2.2 Anxiolytic Sedatives, Hypnotics, and Antipsychotics 21 2.3 Analgesics and Anti‐inflammatory Drugs 29 Study Questions 33 References 33 3 Usage of Antimicrobial Agents and Related Endpoints 39 3.1 Cell Wall Synthesis Inhibiting Antibiotics 41 3.2 Inhibitors of Protein Synthesis 46 3.3 Nucleic Acid Synthesis Inhibitors 60 3.4 Antagonism to Metabolic Processes 67 3.5 Antibiotics that Disrupt Membrane Integrity 68 3.6 Other Antimicrobials 69 Study Questions 70 References 70 4 Usage of Other Groups of Pharmaceuticals and Related Endpoints 75 4.1 Gastrointestinal Drugs 76 4.2 Antidiabetic Drugs 78 4.3 Diuretics and Electrolytes 79 4.4 Thyroid System Medication 81 4.5 Respiratory Drugs 82 4.6 Oral Contraceptive and Reproductive Therapeutics 84 4.7 Biophosphonates and Other Skeletal Ailment Drugs 90 4.8 Steroids 91 4.9 Hematologic Drugs 94 4.10 Nutritional Drugs 94 4.11 Triptans 95 4.12 Anesthetics 96 4.13 Antineoplastics and Immunosuppressants 97 Study Questions 98 References 98 5 Personal Care Products of Environmental Concern 103 5.1 Fragrances and Musks 104 5.2 Ultraviolet Light Filters 111 5.3 Detergents 111 5.4 Disinfectants 114 Study Questions 115 References 116 6 Detection and Occurrence of PPCPs in the Environment 119 6.1 Detection of PPCPs in the Environment 123 6.1.1 Detection Using Instrumentation 126 6.1.2 Detection Using Bioassays 127 6.2 Occurrence of PPCPs in Various Environments 131 6.2.1 Aquatic Systems 133 6.2.1.1 PPCPs in Wastewater 133 6.2.1.2 PPCPs in Surface Water 141 6.2.1.3 PPCPs in Groundwater 146 6.2.1.4 PPCPs in Potable Water 149 6.2.2 Occurrence of PPCPs in Sediments 152 6.2.3 Occurrence of PPCPs in Soil 152 6.2.4 PPCPs in Aerial Environments 154 6.3 Excretion as a Driver of Pharmaceutical Occurrence in the Environment 158 Study Questions 162 References 163 7 Ecopharmacokinetics and Ecopharmacodynamics of PPCPs 177 7.1 Overview of Pharmacokinetics and Pharmacodynamics 178 7.1.1 PPCP Sorption and Bioavailability in the Environment 188 7.1.2 Compound Half‐life and Clearance 192 7.2 Degradation of PPCPs in the Environment 196 7.2.1 Degradation of Antibiotics in the Environment 197 7.2.1.1 Degradation of Quinolone Compounds 198 7.2.1.2 Fate of β‐Lactams and Cephalosporins 199 7.2.1.3 Degradation of Tetracyclines 201 7.2.1.4 Degradation of Macrolides 203 7.2.1.5 Fate of Other Important Groups of Antibiotics 203 7.2.2 Degradation of Analgesics and Anti‐inflammatory Drugs 204 7.2.3 Degradation of Estrogens and Other Reproductive Hormones 207 7.2.4 Degradation of Other Important Pharmaceuticals 210 7.2.5 Degradation of Surfactants 210 7.3 Role of Physicochemical Factors in the Fate of PPCPs in the Environment 211 7.3.1 Molecular Size as an Attribute to Absorption and Persistence 211 7.3.2 Solubility and Hydrolysis 212 7.3.3 Effects of Dissociation, Partitioning, and Lipophilicity on Degradability 214 7.3.4 Effects of Moisture and Oxygen to the Fate of PPCPs in the Environment 217 7.3.5 Effects of Temperature in PPCP Dynamics and Degradation in the Environment 218 7.3.6 Other Determinants of PPCP Fate and Persistence in the Environment 219 7.3.6.1 Presence of Other Compounds 219 7.3.6.2 Photolysis of PPCPs 221 Study Questions 225 References 226 8 Ecotoxicity of Pharmaceuticals and Personal Care Products 239 8.1 Conventional Assessment of the Risk 245 8.2 Ecological Impact of PPCPs on Microorganisms and Microbial Processes 250 8.2.1 Antibiotic Resistance 250 8.2.1.1 Acquisition of Antibiotic Resistance 256 8.2.1.2 Mechanisms of Antibiotic Resistance 256 8.2.2 Biogeochemical Perturbations 257 8.3 Effects of PPCPs on Invertebrates 259 8.4 PPCP Ecotoxicity on Aquatic Organisms 261 8.4.1 Endocrine Disrupters in the Aquatic System 264 8.4.2 Effects of Antibiotic Resistance to Aquatic Organisms 269 8.4.3 Ecotoxicological Effects of Cosmetics on Aquatic Organisms 269 8.4.4 Ecotoxicity of Other PPCPs in Aquatic Organisms 270 8.5 Ecotoxicity of PPCPs on Terrestrial Wildlife 272 8.6 Livestock and Human Health 276 8.6.1 Clinical Antibiotic‐resistance Cases 277 8.6.2 PPCP‐related Allergic Reactions 282 8.6.3 Endocrine Disruption in Humans and Livestock 283 8.6.4 Is There an Association Between PPCPs in the Environment and Some Cancers? 284 8.6.5 Other PPCPs of Concern to Humans and Livestock in the Environment 286 8.7 Ecotoxicity of PPCPs on Vegetation 286 8.8 General Considerations in Long‐term PPCP Toxicity 287 Study Questions 289 References 290 9 Technologies for Removing and Reducing PPCPs in the Environment 313 9.1 Conventional Treatment Systems 316 9.1.1 Primary Treatment 316 9.1.2 Secondary Treatment 317 9.1.2.1 Lagoons 317 9.1.2.2 Fixed Filter Systems 318 9.1.2.3 Suspended Filter Systems 319 9.2 Advanced Treatment Processes 320 9.2.1 Advanced Filtration Systems 321 9.2.1.1 Activated Carbon 321 9.2.1.2 Filtration Membranes 328 9.2.2 Oxidation Processes 338 9.2.2.1 Chlorination 338 9.2.2.2 Ozonation 340 9.2.3 UV Treatment 342 9.2.4 Electrolysis 342 9.2.5 Advanced Oxidation Processes 344 9.3 Effect of Wastewater Retention Time on PPCP Removal 346 9.4 Formulation and Regimen Design for Reduced Environmental Impact 347 9.5 Source Separation of Urine and Decentralization Needs 348 9.6 Future Technological Trends 348 Study Questions 349 References 350 10 Guidelines for a Regulatory Framework on PPCPs in the Environment 357 10.1 Improving Assessment of the Risks from PPCPs in the Environment 359 10.2 Effect of Mixtures 363 10.3 Effects of Chronic Exposure to Low PPCP Doses 363 10.4 Use of Quantitative Structure–Activity Relationships in Ecotoxicology 364 10.5 Toxicogenomic Approaches for Guiding Regulations 365 10.6 Social Responsibility in Legislation and Making Policy 366 10.7 Drug Approval and Advertising 371 10.8 Use of Prescription Records for Mapping PPCPs 372 Study Questions 373 References 374 Index 377

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Book SynopsisConnects knowledge about synthesis, properties, and applications of novel carbon materials and carbon-based composites This book provides readers with new knowledge on the synthesis, properties, and applications of novel carbon materials and carbon-based composites, including thin films of silicon carbide, carbon nitrite, and their related composites. It examines the direct bottom-up synthesis of the carbon-based composite systems and their potential applications, and discusses the growth mechanism of the composite structures. It features applications that range from mechanical, electronic, chemical, biochemical, medical, and environmental to functional devices. Novel Carbon Materials and Composites: Synthesis, Properties and Applications covers an overview of the synthesis, properties, and applications of novel carbon materials and composites. Especially, it covers everything from chemical vapor deposition of silicon carbide films and their electrochemicTable of ContentsList of Contributors xi Series Preface xiii Preface xv 1 Cubic Silicon Carbide: Growth, Properties, and Electrochemical Applications 1Nianjun Yang and Xin Jiang 1.1 General Overview of Silicon Carbide 1 1.1.1 SiC Properties 1 1.1.2 SiC Applications 3 1.1.3 Scope of this Chapter 4 1.2 Synthesis of Silicon Carbide 4 1.2.1 Acheson Process 4 1.2.2 Physical Vapor Transport 5 1.2.3 Chemical Vapor Deposition 5 1.3 Properties of Cubic Silicon Carbide 9 1.3.1 Surface Morphology 9 1.3.2 Electrochemical Properties 12 1.3.3 Surface Chemistry 16 1.3.3.1 Surface Terminations 16 1.3.3.2 Surface Functionalization 17 1.4 Electrochemical Applications of Cubic Silicon Carbide Films 20 1.4.1 Electrochemical Sensors 20 1.4.2 Biosensors 20 1.4.3 Energy Storage 21 1.4.4 Other Applications 24 1.5 Conclusions 24 Acknowledgements 26 References 26 2 Application of Silicon Carbide in Photocatalysis 35Xiao-Ning Guo, Xi-Li Tong and Xiang-Yun Guo 2.1 Preparation of SiC with High Surface Area 36 2.1.1 Carbon Template Method 37 2.1.2 Sol-gel Method 40 2.1.3 Polycarbosilane Pyrolysis Method 42 2.2 Photocatalytic Water-Splitting 43 2.3 Photocatalytic Degradation of Pollutants 54 2.4 Photocatalytic Selective Organic Transformations 57 2.5 Photocatalytic CO2 Reduction 66 References 69 3 Application of Silicon Carbide in Electrocatalysis 73Xiao-Ning Guo, Xi-Li Tong and Xiang-Yun Guo 3.1 Electrochemical Sensors 73 3.2 Direct Methanol Fuel Cells 76 3.3 Dye-sensitized Solar Cells 83 3.4 Lithium-ion Batteries 86 3.5 Supercapacitors 88 References 95 4 Carbon Nitride Fabrication and Its Water-Splitting Applications 99Yanhong Liu, Baodong Mao and Weidong Shi 4.1 Introduction 99 4.2 Preparation of Pristine g-C3N4 100 4.2.1 Effect of Precursors 102 4.2.2 Effect of Reaction Parameters 102 4.3 Bandgap Engineering by Doping and Copolymerization 104 4.3.1 Doping of g-C3N4 104 4.3.1.1 C-doping and N-vacancy 104 4.3.1.2 S-doping 106 4.3.1.3 P-doping 106 4.3.1.4 Metal doping 107 4.3.2 Copolymerization of g-C3N4 107 4.4 Nanostructure Engineering of g-C3N4 109 4.4.1 Ordered Mesoporous Nanostructures of g-C3N4 109 4.4.1.1 Hard Templating Methods 109 4.4.1.2 Soft Templating Methods 110 4.4.1.3 Template-free Methods 112 4.4.2 Exfoliation to 2D Nanosheets of g-C3N4 113 4.4.3 0D Quantum Dots of g-C3N4 115 4.5 g-C3N4 Composite Photocatalysts 117 4.5.1 Metal/g-C3N4 Heterojunctions 117 4.5.2 Graphitic Carbon/g-C3N4 Heterojunctions 120 4.5.3 Semiconductors/g-C3N4 Heterojunctions 122 4.5.3.1 Type-II Heterojunction 123 4.5.3.2 Z-scheme 124 4.5.3.3 0D/2D Heterostructures 124 4.5.3.4 g-C3N4 Homojunctions 125 4.5.3.5 Dyes Sensitization 126 4.5.4 Deposition of Earth-Abundant Cocatalysts 128 4.6 Conclusions and Outlook 130 References 132 5 Carbon Materials for Supercapacitors 137Yanfang Gao, Zijun Shi and Lijun Li 5.1 Introduction 137 5.2 Affecting Factors 139 5.2.1 Specific Surface Area 139 5.2.2 Pore Size 139 5.2.3 Surface Functional Groups 141 5.2.4 Electrical Conductivity 141 5.3 Electrolyte 142 5.3.1 Aqueous Electrolyte 142 5.3.2 Organic Electrolyte 143 5.3.3 Ionic Liquid Electrolytes 143 5.4 Electrode Materials 143 5.4.1 Activated Carbons 143 5.4.2 Graphene 148 5.4.3 Carbon Nanotubes 152 5.4.4 Carbide-Derived Carbon 157 5.4.5 Carbon Aerogels 159 5.5 Conclusion and Outlook 161 References 161 6 Diamond/𝛃-SiC Composite Films 169Xin Jiang, Hao Zhuang and Haiyuan Fu 6.1 Introduction 169 6.2 Deposition Instruments 169 6.3 Conditions of the CVD Process 170 6.4 Film Quantity (Phase Distribution, Orientation, and Crystallinity) and Characterization 172 6.5 Growth Mechanism 177 6.6 Applications 179 6.6.1 Improvement of the Film Adhesion 179 6.6.2 Biosensor Applications 181 6.6.3 Preferential Protein Absorption 186 6.6.4 Diamond Networks 192 6.7 Conclusions and Future Aspects 196 References 198 7 Diamond/Graphite Nanostructured Film: Synthesis, Properties, and Applications 205Nan Huang, Zhaofeng Zhai, Yuning Guo, Qingquan Tian and Xin Jiang 7.1 Introduction 205 7.2 Synthesis of the D/G Nanostructured Film 206 7.3 Growth Mechanism of the D/G Nanostructured Film 208 7.4 Properties and Applications of the D/G Nanostructured Film 210 7.4.1 Mechanical Properties 210 7.4.2 Electrochemical Properties 212 7.4.3 Hybrid D/G Film Electrode for the Detection of Trace Heavy Metal Ions 214 7.4.4 Hybrid D/G Film Electrochemical Biosensor for DNA Detection 216 7.5 Conclusions 218 Acknowledgment 219 References 219 8 Carbon Nanodot Composites: Fabrication, Properties, and Environmental and Energy Applications 223Hui Huang, Yang Liu and Zhenhui Kang 8.1 Introduction 223 8.2 Synthesis, Structure, and Properties 224 8.2.1 Synthesis of C-dots 224 8.2.2 Composition and Structure 225 8.2.3 Properties 226 8.2.3.1 Absorption 226 8.2.3.2 Photoluminescence 227 8.2.3.3 Photoinduced Electron Transfer Property 227 8.2.3.4 Electrochemiluminescence 227 8.2.3.5 Proton adsorption 229 8.2.3.6 Toxicity 229 8.3 C-dot-based Functional Nanocomposites 229 8.3.1 C-dots in Mesoporous Structures 229 8.3.2 C-dots in Polymers 232 8.3.3 C-dots as Building Blocks for Mesoporous Structures 232 8.4 Catalysis Application 235 8.4.1 C-dots as Photocatalysts 235 8.4.2 C-dots as Electrocatalysts 239 8.4.3 Photocatalyst Design Based on C-dots 241 8.4.3.1 Metal Nanoparticle/C-dots Complex Photocatalyst 241 8.4.3.2 C-dots/Ag/Ag3PW12O40 Photocatalysts 242 8.4.3.3 C-dots/TiO2 Photocatalysts 243 8.4.3.4 CDs/Ag3PO4 Photocatalysts 244 8.4.3.5 CDs/Cu2O Photocatalysts 244 8.4.3.6 C-dots/C3N4 Photocatalysts 245 8.4.3.7 C-dots/Enzyme Photocatalysts 245 8.4.4 Photoelectrochemical Catalyst Design Based on C-dots 246 8.4.5 Modulation of Electron/Energy Transfer States at the TiO2–C-dots Interface 248 8.4.6 Electrocatalyst Design Based on C-dots 249 8.4.7 Surface Modifications Towards Catalyst Design 252 8.5 C-Dots for Sensing and Detection 252 8.5.1 PL Sensors 252 8.5.2 Electronic, Electrochemiluminescent and Electrochemical Sensors 255 8.5.3 C-dots for Humidity and Temperature Sensing 257 8.6 C-dots for Solar Energy 257 8.7 Application in Supercapacitors and Lithium-Ion Batteries 263 8.8 C-Dots Nanocomposite for Efficient Lubrication 264 8.9 Outlook 267 References 269 Index 275

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Book SynopsisA modern guide to environmental chemistry Chemistry of Environmental Systems: Fundamental Principles and Analytical Methods offers a comprehensive and authoritative review of modern environmental chemistry, discussing the chemistry and interconnections between the atmosphere, hydrosphere, geosphere and biosphere. Written by internationally recognized experts, the textbook explores the chemistries of the natural environmental systems and demonstrates how these chemical processes change when anthropogenic emissions are introduced into the whole earth system. This important text: Combines the key areas of environmental chemistry needed to understand the sources, fates, and impacts of contaminants in the environment Describes a range of environmental analytical methodologies Explores the basic environmental effects of energy sources, including nuclear energy Encourages a proactive approach to environmental cheTable of ContentsAbout the Authors xiii Preface xv Acknowledgments xix Supplementary Material xxi 1 Introduction to Environmental Chemistry 1 1.1 What is Environmental Chemistry? 1 1.2 Anthropogenic Pollution 2 1.3 A Planet at Risk 4 1.4 Energy, Water, and Population Connections 6 1.5 The Need to Understand Environmental Problems 10 1.6 Atmosphere–Hydrosphere–Geosphere–Biosphere Linkages 13 References 16 Study Problems 16 2 Atmospheric Composition and Basic Physics 19 2.1 Evolution of the Atmosphere 19 2.2 Structure and Composition of the Modern Atmosphere 22 2.3 Atmospheric Circulation 27 2.4 Energy Balance 34 2.4.1 Milankovitch Cycles 35 2.4.2 Planetary Albedo 38 2.4.3 Greenhouse Gases 40 2.4.4 Aerosols 43 2.5 Global Climate Models 44 References 47 Study Problems 48 3 The Fundamentals of Photochemistry 51 3.1 Light and Photochemistry 51 3.2 The Laws of Photochemistry 57 3.3 Thermochemical and Photochemical Processes 59 3.3.1 Activation Energy 60 3.3.2 Kinetics 62 3.4 Photochemical Deactivation Processes 69 References 72 Further Reading 72 Study Problems 72 4 Chemistry of the Stratosphere 75 4.1 Structure and Composition of the Stratosphere 75 4.2 The Ozone Layer 78 4.3 Ozone Formation in the Stratosphere 80 4.3.1 The Chapman Cycle 80 4.3.2 Term Symbols 81 4.3.3 The HOx and NOx Cycles 83 4.4 Ozone Depletion 85 4.4.1 Chlorofluorocarbons 85 4.4.2 The “Ozone Hole” 88 4.4.3 Altitude Dependence 90 4.4.4 Ozone-Depleting Substances 93 4.5 Summary 95 References 98 Further Reading 99 Study Problems 99 5 Chemistry of the Troposphere 103 5.1 Structure and Composition of the Troposphere 103 5.2 History of Smog 105 5.3 The Clean Air Act 110 5.3.1 Criteria Pollutants 110 5.3.2 Non-Criteria Pollutants 112 5.4 Formation of Ozone in the Troposphere 113 5.4.1 The Photostationary State 113 5.4.2 The Hydroxyl Radical 114 5.4.3 Hydroxyl Radical Abstraction Reactions 115 5.4.4 Hydroxyl Radical Addition Reactions 118 5.5 Nitrate Radical and Ozone 121 5.6 The Peroxyacyl Nitrates 122 5.7 Troposphere–Biosphere Interactions 124 References 127 Further Reading 128 Study Problems 128 6 Aerosols and Cloud Chemistry 133 6.1 Aerosol Size Distributions 133 6.2 Aerosol Sources and Sinks 136 6.2.1 Primary Aerosol Emissions 138 6.2.2 Secondary Aerosol Formation 140 6.2.3 Wet Deposition and Henry’s Law 143 6.2.4 Dry Deposition 145 6.3 Aerosol Lifetimes 148 6.4 Determination of Aerosol Sources 151 6.5 Aerosol Health Effects 156 6.6 Aerosol Visibility and Climate Effects 158 6.7 Aqueous Chemistry 164 References 165 Further Reading 166 Study Problems 166 7 Analytical Methods for Air Analysis 171 7.1 Sampling Methods 172 7.2 Gas Species Measurement Methods 175 7.2.1 The Oxidants: Ozone, Hydroxyl Radical, Peroxyacyl Nitrates, Peroxides, and Peracids 175 7.2.2 The Oxides: Nitric Oxide, Nitrogen Dioxide, Nitric Acid, Carbon Monoxide, Carbon Dioxide, Sulfur Dioxide, and Nitrous Oxide 186 7.2.2.1 Nitric Oxide, Nitrogen Dioxide, and Nitric Acid 186 7.2.2.2 Nitric Acid, Carbon Monoxide, Carbon Dioxide, Sulfur Dioxide, and Nitrous Oxide 188 7.2.3 The Organics: Volatile Organic Hydrocarbons, Aldehydes, Ketones, and Halogenated Hydrocarbons 191 7.3 Aerosols 195 7.3.1 Sample Collection 195 7.3.2 Aerosol Composition 196 7.4 Aerosol Optical Properties 199 7.5 Method Selection 201 7.6 The Importance of Baseline Measurements 204 References 207 Further Reading 207 Study Problems 208 8 Chemistry of Surface and Ground Waters 213 8.1 The Unique Properties of Water 214 8.2 The Hydrological Cycle 216 8.3 Ocean Currents and Circulation 220 8.4 The Structure of Natural Aquatic Systems 224 8.4.1 The Oceans 224 8.4.2 Freshwater Systems 225 8.5 The Composition of Natural Aquatic Systems 228 8.5.1 Dissolved Oxygen 229 8.5.2 Nitrogen and Phosphorus 230 8.5.3 Sulfur 232 8.5.4 Carbon 233 8.6 Water Pollution 238 8.6.1 Point Sources 239 8.6.2 Nonpoint Sources 243 8.7 Contaminant Transformation 246 8.8 Contaminant Transport 252 References 257 Further Reading 258 Study Problems 258 9 Analytical Methods for Water Analysis 263 9.1 Sampling Methods 263 9.2 Dissolved Species 266 9.2.1 Electrochemical Methods 267 9.2.2 Spectroscopic Methods 272 9.2.3 Chromatographic Methods 286 9.2.4 Titration Methods 291 9.2.5 Radiochemical Methods 292 9.3 Particulates and Colloids 293 9.4 Contaminant Issues 297 References 299 Study Problems 300 10 Fossil and Biomass Fuels 305 10.1 Combustion Chemistry 305 10.2 Formation and Recovery of Fossil Fuels 308 10.2.1 The Formation of Fossil Fuels 309 10.2.2 Coal Mining 313 10.2.3 Oil and Gas Recovery 315 10.3 Fossil Fuel Use 319 10.4 Biomass Fuels 323 10.4.1 Biomass Fuel Production 324 10.4.2 Biomass Fuel Use 326 10.5 Impacts on Water Quality 330 10.5.1 Fossil Fuels 330 10.5.2 Biomass Fuels 335 10.6 Impacts on Air Quality 338 10.6.1 Fossil Fuels 338 10.6.2 Biomass Fuels 345 10.7 Gasoline Additives: Lessons Learned 347 References 349 Study Problems 350 11 Climate Change 355 11.1 Prehistoric Climates 358 11.2 Causes of Climate Change 360 11.2.1 Global Warming Potentials 362 11.2.2 Greenhouse Gas Sources and Sinks 363 11.2.3 Radiative Forcing 367 11.3 Climate Models 368 11.4 Predictions of Future Climate Change 370 11.5 Impacts from the Predicted Temperature Rise 373 11.6 Climate Effects on Air Quality and Health 377 11.7 Mitigation and Adaption Strategies 379 References 386 Study Problems 386 12 Nuclear Energy 391 12.1 Radioactivity 391 12.2 Radioactive Emissions and Decay Kinetics 394 12.3 Sources of Radioisotopes 399 12.4 Nuclear Fission 401 12.5 Nuclear Weapons Testing and Fallout 403 12.6 Nuclear Power 407 12.6.1 Harnessing Nuclear Energy 407 12.6.2 Uranium Production 410 12.6.3 Nuclear Plant Designs 412 12.6.4 Nuclear Waste 414 12.7 Radioisotopes in the Environment 417 12.8 Radiation Exposure 421 12.9 Applications of Radioisotopes 424 References 428 Study Problems 429 13 Future Energy Sources and Sustainability 433 13.1 The Need for Non-Fossil Energy Sources 434 13.2 Alternative Energy Sources 437 13.2.1 Wind Power 438 13.2.2 Hydropower 442 13.2.3 Geothermal Energy 444 13.2.4 Solar Power 445 13.2.5 Biomass 449 13.2.6 Hydrogen 450 13.3 Sustainability 452 13.4 Long-Term Planning 455 References 460 Study Problems 461 Appendix A Answers to Study Problems 465 Appendix B List of U.S. EPA Hazardous Air Pollutants – Air Toxics 503 Appendix C Henry’s Law Constants (Hx) for Selected Inorganic and Organic Compounds 509 Appendix D Organic Water Pollutants, their Chemical Structures, Sources, and Concentration Limits in U.S. Drinking Water 519 Appendix E Chemicals Used in the Hydraulic Fracturing of Oil Shales for Natural Gas Extraction 527 Glossary 529 Index 541

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Book SynopsisA concise yet comprehensive reference guide on HPLC/UHPLC that focuses on its fundamentals, latest developments, and best practices in the pharmaceutical and biotechnology industries Written for practitioners by an expert practitioner, this new edition of HPLC and UHPLC for Practicing Scientists adds numerous updates to its coverage of high-performance liquid chromatography, including comprehensive information on UHPLC (ultra-high-pressure liquid chromatography) and the continuing migration of HPLC to UHPLC, the modern standard platform. In addition to introducing readers to HPLC's fundamentals, applications, and developments, the book describes basic theory and terminology for the novice, and reviews relevant concepts, best practices, and modern trends for the experienced practitioner. HPLC and UHPLC for Practicing Scientists, Second Edition offers three new chapters. One is a standalone chapter on UHPLC, covering concepts, benefits,Table of ContentsAuthor’s Biography xvii Biographies of Contributors xix Preface xxi Foreword xxiii Acknowledgments xxv 1 Introduction 1 1.1 Introduction 1 1.1.1 Scope 1 1.1.2 What Is HPLC? 2 1.1.3 A Brief History 3 1.1.4 Advantages and Limitations 4 1.1.5 Ultra-High-Pressure Liquid Chromatography (UHPLC) 4 1.2 Primary Modes of HPLC 4 1.2.1 Normal-Phase Chromatography (NPC) 5 1.2.2 Reversed-Phase Chromatography (RPC) 5 1.2.3 Ion-Exchange Chromatography (IEC) 6 1.2.4 Size-Exclusion Chromatography (SEC) 8 1.2.5 Other Separation Modes 8 1.3 Some Common-Sense Corollaries 10 1.4 How to Get More Information 11 1.5 Summary 11 1.6 Quizzes 11 1.6.1 Bonus Quiz 12 References 12 2 Basic Terms and Concepts 15 2.1 Scope 15 2.2 Basic Terms and Concepts 16 2.2.1 Retention Time (tR), Void Time (tM), Peak Height (h), and Peak Width (wb) 16 2.2.2 Retention Volume (VR), Void Volume (VM), and Peak Volume 16 2.2.3 Retention Factor (k) 18 2.2.4 Separation Factor (𝛼) 19 2.2.5 Column Efficiency and Plate Number (N) 20 2.2.6 Peak Volume 20 2.2.7 Height Equivalent to a Theoretical Plate or Plate Height (HETP or H) 21 2.2.8 Resolution (Rs) 21 2.2.9 Peak Symmetry:Asymmetry Factor (As) and Tailing Factor (Tf) 23 2.3 Mobile Phase 24 2.3.1 General Requirements 24 2.3.2 Solvent Strength and Selectivity 25 2.3.3 pH Modifiers and Buffers 27 2.3.4 Acidic Mobile Phases 28 2.3.5 Ion-Pairing Reagents and Chaotropic Agents 29 2.3.6 High-pH Mobile Phases 29 2.3.7 Other Operating Parameters: Flow Rate (F) and Column Temperature (T) 30 2.4 The Resolution Equation 31 2.5 The Van Deemter Equation 33 2.6 Isocratic vs. Gradient Analysis 35 2.6.1 Peak Capacity (n) 35 2.6.2 Gradient Parameters (Initial and Final Solvent Strength, Gradient Time (tG), and Flow Rate) 36 2.6.3 The 0.25 ΔtG Rule: When Is Isocratic Analysis More Appropriate? 37 2.7 The Concept of Orthogonality and Selectivity Tuning 38 2.8 Sample Capacity 41 2.9 Glossary of HPLC Terms 41 2.10 Summary and Conclusion 42 2.11 Quizzes 42 2.11.1 Bonus Quiz 44 References 44 3 HPLC Columns and Trends 45 3.1 Scope 45 3.1.1 Glossary and Abbreviations 45 3.2 General Column Description and Characteristics 46 3.2.1 Column Hardware – Standard vs. Cartridge Format 47 3.3 Column Type 47 3.3.1 Types Based on Chromatographic Mode 48 3.3.2 Column Types Based on Dimension 48 3.3.3 Column Length (L) 48 3.4 Column Packing Characteristics 50 3.4.1 Support Type 50 3.4.2 Particle Size (dp) 51 3.4.3 Surface Area and Pore Size (dpore) 51 3.4.4 Bonding Chemistries 52 3.5 Modern HPLC Column Trends 54 3.5.1 Silica Support Material 54 3.5.2 Hybrid Particles 55 3.5.3 Novel Bonding Chemistries 58 3.5.4 Shorter and Narrower Columns Packed with Small Particles 61 3.5.5 Micro-LC and Nano-LC 62 3.5.6 Monoliths 64 3.5.7 Superficially Porous Particles (SPP) 65 3.5.8 Micropillar Array Chromatography (μPAC) 67 3.6 Guard Columns 69 3.7 Specialty Columns 69 3.7.1 Bioseparations Columns 69 3.7.2 Chiral Columns 69 3.7.3 Supercritical Fluid Chromatography (SFC) Columns 71 3.7.4 Hydrophilic Interaction Liquid Chromatography (HILIC) Columns 72 3.7.5 Mixed-Mode Chromatography (MMC) Columns 72 3.7.6 Application-Specific Columns 73 3.8 RPC Column Selection Guides 73 3.8.1 Some General Guidelines for Bonded Phase Selection 75 3.9 Summary 76 3.10 Quizzes 76 3.10.1 Bonus Quiz 78 References 78 4 HPLC/UHPLC Instrumentation and Trends 81 4.1 Introduction 81 4.1.1 Scope 81 4.1.2 HPLC Systems and Modules 81 4.1.3 Ultra-High-Pressure Liquid Chromatography (UHPLC) 83 4.2 HPLC and UHPLC Solvent Delivery Systems 83 4.2.1 High-Pressure and Low-Pressure Mixing Designs in Multisolvent Pumps 85 4.2.2 System Dwell Volume 86 4.2.3 Trends 88 4.3 Injectors and Autosamplers 88 4.3.1 Operating Principles of Autosamplers 88 4.3.2 Performance Characteristics and Trends 89 4.4 Detectors 91 4.5 UV/VIS Absorbance Detectors 92 4.5.1 Operating Principles 92 4.5.2 Performance Characteristics 94 4.5.3 Trends in UV/Vis Absorbance Detectors 94 4.6 Photodiode Array Detectors 94 4.6.1 Operating Principles 94 4.6.2 Trends in PDA Detectors 95 4.7 Other Detectors 95 4.7.1 Refractive Index Detector (RID) 96 4.7.2 Evaporative Light Scattering Detector (ELSD) 96 4.7.3 Charged Aerosol Detector (CAD) 97 4.7.4 Conductivity Detector (CD) 97 4.7.5 Fluorescence Detector (FLD) 97 4.7.6 Chemiluminescence Nitrogen Detector (CLND) 98 4.7.7 Electrochemical Detector (ECD) 99 4.7.8 Radiometric Detector 99 4.8 Hyphenated and Specialized Systems 99 4.8.1 LC/MS and LC/MS/MS 99 4.8.2 LC/NMR 100 4.8.3 Other Hyphenated Systems 102 4.8.4 Supercritical Fluid Chromatography (SFC) 102 4.8.5 Preparative LC and SFC 102 4.8.6 Micro- and Nano-LC (Capillary LC) 102 4.8.7 Multidimensional LC 102 4.8.8 Lab-on-a-Chip 104 4.8.9 Specialized Applications Systems 104 4.9 HPLC Accessories 105 4.9.1 Solvent Degasser 105 4.9.2 Column Oven 105 4.9.3 Valves for Column and Mobile Phase Selection 106 4.10 Chromatography Data Systems (CDS) 106 4.10.1 User Interface and CDSWorkflow 107 4.11 Instrumental Bandwidth (IBW) 108 4.11.1 How to Measure IBW 109 4.11.2 IBW of UHPLC Systems 110 4.12 Manufacturers and Equipment Selection 111 4.13 Trends in HPLC and UHPLC Equipment 111 4.14 Summary 112 4.15 Quizzes 112 4.15.1 Bonus Quiz 114 References 114 5 UHPLC: Perspectives, Performance, Practices, and Potential Issues 117 5.1 Introduction 117 5.1.1 Scope 117 5.1.2 Glossary and Abbreviations 117 5.1.3 Historical Perspectives: What Is UHPLC? 118 5.2 Practical Concepts in UHPLC 120 5.2.1 Rationale for Higher System Pressure 120 5.2.2 Rationale for Low-Dispersion Systems 121 5.2.3 Rationale for Low Dwell Volumes 121 5.2.4 Other UHPLC Instrumental Characteristics 122 5.3 Benefits Of UHPLC and Case Studies 122 5.3.1 Benefit #1: Fast Separations with Good Resolution 122 5.3.2 Benefit #2: High-Resolution Analysis of Complex Samples 124 5.3.3 Benefit #3: Rapid HPLC Method Development 124 5.3.4 Flexibility for Customizing Resolution 129 5.3.5 Other Benefits of UHPLC 130 5.4 Potential Issues and How to Mitigate 132 5.4.1 Safety Issues 132 5.4.2 Viscous Heating 133 5.4.3 Instrumental and Operating Nuances 133 5.4.4 Injector Precision 135 5.4.5 UV Detection Noise vs. Mixer Volumes 135 5.4.6 Method Translation (Conversion) 138 5.5 How to Implement UHPLC and Practical Aspects 139 5.5.1 How to Transition from HPLC to UHPLC 139 5.5.2 End-Fittings 140 5.5.3 A Summary of UHPLC System Performance Tradeoffs 140 5.6 Myths in UHPLC 142 5.7 Summary and Conclusions 142 5.8 Quizzes 142 5.8.1 Bonus Quiz 144 References 144 6 LC/MS: Fundamentals, Perspectives, and Applications 147Christine Gu 6.1 Introduction 147 6.1.1 Scope 147 6.1.2 LC/MS Technology and Instrumentation 147 6.1.3 Basic Terminologies and Concepts for MS 148 6.1.4 Interfacing HPLC and MS 150 6.2 LC/MS Instrumentation 150 6.2.1 Ion Sources 150 6.2.2 Fragmentation 152 6.2.3 Mass Analyzers 153 6.2.4 Detectors 155 6.3 Small-Molecules Drug Research and Development 157 6.3.1 Mass Measurement and Elemental Composition Determination 157 6.3.2 Structural Elucidation 159 6.3.3 Trace Quantitation 162 6.4 Emerging Biopharmaceutical Applications 164 6.4.1 Intact Mass Measurement of Proteins 166 6.4.2 Structural Characterization of Proteins (Bottom-Up and Top-Down Approaches) 166 6.4.3 Peptide Quantitation 170 6.5 Environmental, Food Safety, Clinical, Toxicology, and “Omics” Applications 171 6.6 Future Perspectives 171 6.7 Quizzes 172 6.7.1 Bonus Quiz 174 References 174 7 HPLC/UHPLC Operation Guide 177 7.1 Scope 177 7.2 Safety and Environmental Concerns 177 7.2.1 Safety Concerns 177 7.2.2 Environmental Concerns 179 7.3 Mobile Phase and Sample Preparation 180 7.3.1 Mobile Phase Premixing 180 7.3.2 Mobile Phase Additives and Buffers 180 7.3.3 Filtration 180 7.3.4 Degassing 181 7.3.5 Samples, Diluents, and Sample Preparation 181 7.4 Best Practices in HPLC/UHPLC System Operation 182 7.4.1 Pump Operation 182 7.4.2 HPLC Column Use, Precaution, Connection, and Maintenance 183 7.4.3 Autosampler Operation 184 7.4.4 Column Oven and Switching Valve 186 7.4.5 UV/Vis Detector Operation 186 7.4.6 HPLC System Shutdown 187 7.4.7 Guidelines for Increasing HPLC Precision 187 7.5 From Chromatograms to Reports 189 7.5.1 Qualitative Analysis Strategies 192 7.5.2 Quantitation Analysis Strategies 192 7.6 Summary of HPLC Operation 193 7.7 Guides on Performing Trace Analysis 193 7.8 Summary 195 7.9 Quizzes 195 7.9.1 Bonus Quiz 196 References 196 8 HPLC/UHPLC Maintenance and Troubleshooting 199 8.1 Scope 199 8.2 HPLC System Maintenance 199 8.2.1 HPLC Pump 200 8.2.2 UV/Vis Absorbance or Photodiode Array Detectors (PDA) 202 8.2.3 Injector and Autosampler 204 8.3 HPLC Troubleshooting 204 8.3.1 General Problem Diagnostic and Troubleshooting Guide 205 8.3.2 Common HPLC Problems 206 8.4 Troubleshooting Case Studies 213 8.4.1 Case Study 1: Reducing Baseline Shift and Noise for Gradient Analysis 213 8.4.2 Case Study 2: Poor Peak Area Precision 214 8.4.3 Case Study 3: Poor Assay Accuracy Data 215 8.4.4 Case Study 4: Equipment Malfunctioning and Problems with Blank 216 8.5 Summary and Conclusion 217 8.6 Quizzes 218 8.6.1 Bonus Quiz 219 References 219 9 Pharmaceutical Analysis 221 9.1 Introduction 221 9.1.1 Scope 221 9.1.2 Glossary and Abbreviations 221 9.2 Overview of Drug Development Process 222 9.3 Sample Preparation Perspectives 224 9.4 HPLC, SFC, and HPLC/MS in Drug Discovery 224 9.5 HPLC Testing Methodologies for DS and DP 225 9.5.1 Identification Test (DS, DP) 227 9.5.2 ASSAY (Rough Potency and Performance Testing, DP) 227 9.5.3 Stability-Indicating Assay (Potency and Purity Testing of DS and DP) 230 9.5.4 Assay of Preservatives 238 9.5.5 Assay of Pharmaceutical Counterions 238 9.5.6 Assay of Potential Genotoxic Impurities (PGI) 239 9.6 Cleaning Verification 239 9.7 Bioanalytical Testing 240 9.8 Summary 242 9.9 Quizzes 242 9.9.1 Bonus Quiz 243 References 243 10 HPLC Method Development 245 10.1 Introduction 245 10.1.1 Scope 245 10.1.2 Considerations Before Method Development 245 10.1.3 HPLC Method Development Trends in Pharmaceutical Analysis 246 10.2 A Five-Step Strategy for Traditional HPLC Method Development 246 10.2.1 STEP 1: Defining Method Types and Goals 246 10.2.2 STEP 2: Gathering Sample and Analyte Information 248 10.2.3 STEP 3: Initial HPLC Method Development 248 10.2.4 STEP 4: Method Fine-Tuning and Optimization 253 10.2.5 STEP 5: Method Prequalification 256 10.2.6 Summary of Method Development Steps 257 10.2.7 Phase-Appropriate Method Development and Validation 257 10.2.8 Method Development Software Tools 258 10.3 Case Studies 258 10.3.1 A Phase-0 Drug Substance Method for an NCE 259 10.3.2 Stability-Indicating Method Development for an NCE Using DryLab 260 10.3.3 Stability-Indicating Method for a Combination Drug Product with Two APIs 262 10.3.4 Automated Method Development System Employing Fusion QbD Software 265 10.4 A Three-Pronged Template Approach for Rapid HPLC Method Development 268 10.4.1 Template #1: Fast LC Isocratic Potency or Performance Methods 269 10.4.2 Template #2: Generic Broad Gradient Methods 270 10.4.3 Temple #3 Multisegment Gradient Methods for NCEs 271 10.4.4 Summary of the Three-Pronged Approach 272 10.5 A Universal Generic Method for Pharmaceutical Analysis 272 10.5.1 Rationales for the Generic Method Parameters 272 10.5.2 Adjustment of the Generic Method for Stability-Indicating Assays 273 10.5.3 Summary of the Universal Generic Method Approach 275 10.6 Comments on Other HPLC Modes 276 10.7 Summary and Conclusions 276 10.8 Quizzes 277 10.8.1 Bonus Quiz 278 References 278 11 Regulations, HPLC System Qualification, Method Validation, and Transfer 281 11.1 Introduction 281 11.1.1 Scope 281 11.1.2 Glossary and Abbreviations 281 11.2 Regulatory Environment in the Pharmaceutical Industry 281 11.2.1 Regulations 283 11.2.2 The Role of the United States Food and Drug Administration (U.S. FDA) 284 11.2.3 The United States Pharmacopeia (USP) 284 11.3 HPLC System Qualification 285 11.3.1 Design Qualification (DQ) 285 11.3.2 Installation Qualification (IQ) 285 11.3.3 Operational Qualification (OQ) 287 11.3.4 Performance Qualification (PQ) 287 11.3.5 System Qualification Documentation 287 11.3.6 System Calibration 287 11.3.7 System Suitability Testing (SST) 289 11.4 Method Validation 290 11.4.1 Data Required for Method Validation 291 11.4.2 Case Studies and Summary Data on Method Validation 296 11.5 Method Transfer 298 11.6 Regulatory Filings 298 11.7 Cost-Effective Regulatory Compliance Strategies 298 11.7.1 Regulatory Compliance in Other Industries 301 11.8 Summary and Conclusions 302 11.9 Quizzes 302 11.9.1 Bonus Quiz 303 References 303 12 HPLC and UHPLC for Biopharmaceutical Analysis 305 Jennifer Rea and Taylor Zhang 12.1 Introduction 305 12.2 Size-Exclusion Chromatography (SEC) 308 12.2.1 SEC Introduction 308 12.2.2 SEC Theory and Fundamentals 308 12.2.3 SEC Method Conditions 309 12.2.4 SEC Applications 311 12.3 Ion-Exchange Chromatography (IEC) 312 12.3.1 IEC Introduction 312 12.3.2 IEC Theory and Fundamentals 313 12.3.3 IEC Method Conditions 313 12.3.4 IEC Applications 314 12.4 Affinity Chromatography 314 12.4.1 Affinity Chromatography Introduction 314 12.4.2 Affinity Chromatography Theory and Fundamentals 315 12.4.3 Affinity Chromatography Method Conditions 315 12.4.4 Affinity Chromatography Applications 316 12.5 Hydrophilic Interaction Liquid Chromatography (HILIC) 317 12.5.1 HILIC Introduction 317 12.5.2 HILIC Theory and Fundamentals 317 12.5.3 HILIC Method Conditions 318 12.5.4 HILIC Applications 318 12.6 Reversed-Phase Chromatography (RPC) 320 12.6.1 RPC Introduction 320 12.6.2 RPC Theory and Fundamentals 320 12.6.3 RPC Method Conditions 321 12.6.4 RPC Applications 321 12.7 Hydrophobic Interaction Chromatography (HIC) 322 12.7.1 HIC Introduction 322 12.7.2 HIC Theory and Fundamentals 322 12.7.3 HIC Method Conditions 323 12.7.4 HIC Applications 324 12.8 Mixed-Mode Chromatography (MMC) 324 12.8.1 MMC Introduction 324 12.8.2 MMC Theory and Fundamentals 325 12.8.3 MMC Method Conditions 325 12.8.4 MMC Applications 325 12.9 Multidimensional Liquid Chromatography 326 12.9.1 Multidimensional LC Introduction 326 12.9.2 Multidimensional LC Theory and Fundamentals 326 12.9.3 Multidimensional LC Method Conditions 327 12.9.4 Multidimensional LC Applications 327 12.10 Summary 328 12.11 Quizzes 328 References 329 13 HPLC Applications in Food, Environmental, Chemical, and Life Sciences Analysis 335 13.1 Introduction 335 13.1.1 Scope 335 13.2 Food Applications 335 13.2.1 Natural Food Components 336 13.2.2 Food Additives 341 13.2.3 Contaminants 346 13.3 Environmental Applications 349 13.3.1 Listing of U.S. EPA Test Methods Using HPLC 349 13.3.2 Pesticides Analysis 349 13.3.3 Polynuclear Aromatic Hydrocarbons (PAH) 351 13.3.4 HPLC Analysis of Carbonyl Compounds (Aldehydes and Ketone) 352 13.4 Chemical Industry, GPC, and Plastics Applications 352 13.4.1 Gel-Permeation Chromatography (GPC) and Analysis of Plastics Additives 352 13.5 Ion Chromatography (IC) 356 13.6 Life Sciences Applications 356 13.6.1 Proteins, Peptides, and Amino Acids 357 13.6.2 Bases, Nucleosides, Nucleotides, Oligonucleotides, and Nucleic Acids 363 13.6.3 Bioscience Research in Proteomics, Metabolomics, Glycomics and Clinical Diagnostics 363 13.7 Summary 366 13.8 Quizzes 366 13.8.1 Bonus Questions 368 References 368 Keys to Quizzes 371 Index 373

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