Chemistry Books

Book SynopsisPresents and surveys research described in literature between December 1999 and November 2000. This title includes mechanisms for the synthesis of various types of organic compounds as well as such mechanisms as addition and elimination reactions, nucleophilic and electrophilic aromatic substitutions and molecular arrangements.Trade Review"...exceptional...all of the chapters were carefully detailed with illustrations...a valuable reference source..." (Journal of Medical Chemistry, Vol 48 (19) 2005)Table of Contents1. Reactions of Aldehydes and Ketones and their Derivatives by B. A. Murray. 2. Reactions of Carboxylic, Phosphoric, and Sulfonic Acids and their Derivatives by C. T. Bedford. 3. Radical Reactions: Part 1 by A. J. Clark, J. V. Geden, and N. P. Murphy. 4. Radical Reactions: Part 2 by A. P. Dobbs and T. C. T. Ho. 5. Oxidation and Reduction by D. C. Braddock. 6. Carbenes and Nitrenes by D. M. Hodgson, M. Christlieb and E. Gras. 7. Nucleophilic Aromatic Substitution by M. R. Crampton. 8. Electrophilic Aromatic Substitution by R. G. Coombes. 9. Carbocations by R. A. McClelland. 10. Nucleophilic Aliphatic Substitution by J. Shorter. 11. Carbanions and Electrophilic Aliphatic Substitution by A. C. Knipe. 12. Elimination Reactions by A. C. Knipe. 13. Addition Reactions: Polar Addition by P. Kočovský. 14. Addition Reactions: Cycloaddition by N. Dennis. 15. Molecular Rearrangements by A. W. Murray. Author index. Subject index.

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Book SynopsisTable of Contents1. Elements and Compounds.2. The Mole: The Link Between the Macroscopic and the Atomic World of Chemistry. 3. The Structure of the Atom. 4. The Covalent Bond. 5. Ionic and Metallic Bonds. 6. Gases. 7. Making and Breaking of Bonds. 8. Liquids and Solutions. 9. Solids. 10. An Introduction to Kinetics and Equilibrium. 11. Acids and Bases. 12. Oxidation-Reduction Reactions. 13. Chemical Thermodynamics. 14. Kinetics. 15. Chemical Analysis. Appendix A: systems of Units. Appendix B: Values of Selected Fundamental Constants, B-2. Appendix C: Answers to Selected Core Problems. Appendix D: Checkpoint Answers. Photo Credits. Index.

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Book SynopsisThere are many comprehensive design books, but none of them provide a significant number of detailed economic design examples of typically complex industrial processes. Most of the current design books cover a wide variety of topics associated with process design.Trade Review"I highly recommend the important and all encompassing book Principles and Case Studies of Simultaneous Design by William L. Luyben, to any chemistry or engineering students, practicing chemical engineers, product designers in industry, and business leaders looking for a fresh approach to simultaneous design issues. This book will transform your company's industrial processes and product design into one of a leader in process design." (Blog Business World, 26 November 2011)Table of ContentsPREFACE xv 1 INTRODUCTION 1 1.1 Overview / 1 1.2 History / 3 1.3 Books / 4 1.4 Tools / 4 Reference Textbooks / 5 2 PRINCIPLES OF REACTOR DESIGN AND CONTROL 7 2.1 Background / 7 2.2 Principles Derived from Chemistry / 8 2.2.1 Heat of Reaction / 8 2.2.2 Reversible and Irreversible Reactions / 9 2.2.3 Multiple Reactions / 10 2.3 Principles Derived from Phase of Reaction / 11 2.4 Determining Kinetic Parameters / 12 2.4.1 Thermodynamic Constraints / 12 2.4.2 Kinetic Parameters from Plant Data / 13 2.5 Principles of Reactor Heat Exchange / 13 2.5.1 Continuous Stirred-Tank Reactors / 13 2.5.2 Tubular Reactors / 14 2.5.3 Feed-Effluent Heat Exchangers / 16 2.6 Heuristic Design of Reactor/Separation Processes / 17 2.6.1 Introduction / 17 2.6.2 Process Studied / 18 2.6.3 Economic Optimization / 21 2.6.4 Other Cases / 22 2.6.5 Real Example / 27 2.7 Conclusion / 28 References / 29 3 PRINCIPLES OF DISTILLATION DESIGN AND CONTROL 31 3.1 Principles of Economic Distillation Design / 32 3.1.1 Operating Pressure / 32 3.1.2 Heuristic Optimization / 33 3.1.3 Rigorous Optimization / 33 3.1.4 Feed Preheating and Intermediate Reboilers and Condensers / 34 3.1.5 Heat Integration / 34 3.2 Principles of Distillation Control / 35 3.2.1 Single-End Control / 36 3.2.2 Dual-End Control / 38 3.2.3 Alternative Control Structures / 38 3.3 Conclusion / 39 References / 39 4 PRINCIPLES OF PLANTWIDE CONTROL 41 4.1 History / 42 4.2 Effects of Recycle / 42 4.2.1 Time Constants of Integrated Plant with Recycle / 42 4.2.2 Recycle Snowball Effect / 43 4.3 Management of Fresh Feed Streams / 45 4.3.1 Fundamentals / 45 4.3.2 Process with Two Recycles and Two Fresh Feeds / 46 4.4 Conclusion / 52 5 ECONOMIC BASIS 53 5.1 Level of Accuracy / 53 5.2 Sizing Equipment / 54 5.2.1 Vessels / 54 5.2.2 Heat Exchangers / 55 5.2.3 Compressors / 56 5.2.4 Pumps, Valves, and Piping / 56 5.3 Equipment Capital Cost / 56 5.3.1 Vessels / 56 5.3.2 Heat Exchangers / 56 5.3.3 Compressors / 57 5.4 Energy Costs / 57 5.5 Chemical Costs / 57 References / 57 6 DESIGN AND CONTROL OF THE ACETONE PROCESS VIA DEHYDROGENATION OF ISOPROPANOL 59 6.1 Process Description / 60 6.1.1 Reaction Kinetics / 61 6.1.2 Phase Equilibrium / 62 6.2 Turton Flowsheet / 62 6.2.1 Vaporizer / 63 6.2.2 Reactor / 64 6.2.3 Heat Exchangers, Flash Tank, and Absorber / 64 6.2.4 Acetone Column C1 / 66 6.2.5 Water Column C2 / 66 6.3 Revised Flowsheet / 66 6.3.1 Effect of Absorber Pressure / 66 6.3.2 Effect of Water Solvent and Absorber Stages / 68 6.3.3 Effect of Reactor Size / 68 6.3.4 Optimum Distillation Design / 69 6.4 Economic Comparison / 69 6.5 Plantwide Control / 71 6.5.1 Control Structure / 71 6.5.2 Column Control Structure Selection / 75 6.5.3 Dynamic Performance Results / 76 6.6 Conclusion / 81 References / 81 7 DESIGN AND CONTROL OF AN AUTO-REFRIGERATED ALKYLATION PROCESS 83 7.1 Introduction / 84 7.2 Process Description / 84 7.2.1 Reaction Kinetics / 85 7.2.2 Phase Equilibrium / 85 7.2.3 Flowsheet / 86 7.2.4 Design Optimization Variables / 88 7.3 Design of Distillation Columns / 89 7.3.1 Depropanizer / 89 7.3.2 Deisobutanizer / 89 7.4 Economic Optimization of Entire Process / 91 7.4.1 Flowsheet Convergence / 91 7.4.2 Yield / 91 7.4.3 Effect of Reactor Size / 91 7.4.4 Optimum Economic Design / 93 7.5 Alternative Flowsheet / 94 7.6 Plantwide Control / 96 7.6.1 Control Structure / 96 7.6.2 Controller Tuning / 100 7.6.3 Dynamic Performance / 101 7.7 Conclusion / 103 References / 105 8 DESIGN AND CONTROL OF THE BUTYL ACETATE PROCESS 107 8.1 Introduction / 108 8.2 Chemical Kinetics and Phase Equilibrium / 108 8.2.1 Chemical Kinetics and Chemical Equilibrium / 108 8.2.2 Vapor-Liquid Equilibrium / 110 8.3 Process Flowsheet / 112 8.3.1 Reactor / 112 8.3.2 Column C1 / 113 8.3.3 Column C2 / 113 8.3.4 Column C3 / 113 8.3.5 Flowsheet Convergence / 115 8.4 Economic Optimum Design / 117 8.4.1 Reactor Size and Temperature / 117 8.4.2 Butanol Recycle and Composition / 118 8.4.3 Distillation Column Design / 119 8.4.4 System Economics / 120 8.5 Plantwide Control / 121 8.5.1 Column C1 / 121 8.5.2 Column C2 / 122 8.5.3 Column C3 / 122 8.5.4 Plantwide Control Structure / 123 8.5.5 Dynamic Performance / 124 8.6 Conclusion / 133 References / 133 9 DESIGN AND CONTROL OF THE CUMENE PROCESS 135 9.1 Introduction / 136 9.2 Process Studied / 136 9.2.1 Reaction Kinetics / 136 9.2.2 Phase Equilibrium / 137 9.2.3 Flowsheet / 137 9.3 Economic Optimization / 140 9.3.1 Increasing Propylene Conversion / 140 9.3.2 Effects of Design Optimization Variables / 141 9.3.3 Economic Basis / 142 9.3.4 Economic Optimization Results / 143 9.4 Plantwide Control / 147 9.5 Conclusion / 158 References / 158 10 DESIGN AND CONTROL OF THE ETHYL BENZENE PROCESS 159 10.1 Introduction / 159 10.2 Process Studied / 160 10.2.1 Reaction Kinetics / 161 10.2.2 Phase Equilibrium / 162 10.2.3 Flowsheet / 163 10.3 Design of Distillation Columns / 164 10.3.1 Column Pressure Selection / 166 10.3.2 Number of Column Trays / 169 10.4 Economic Optimization of Entire Process / 169 10.5 Plantwide Control / 172 10.5.1 Distillation Column Control Structure / 172 10.5.2 Plantwide Control Structure / 173 10.5.3 Controller Tuning / 174 10.5.4 Dynamic Performance / 174 10.5.5 Modified Control Structure / 176 10.6 Conclusion / 183 References / 183 11 DESIGN AND CONTROL OF A METHANOL REACTOR/COLUMN PROCESS 185 11.1 Introduction / 185 11.2 Process Studied / 186 11.2.1 Compression and Reactor Preheating / 186 11.2.2 Reactor / 187 11.2.3 Separator, Recycle, and Vent / 187 11.2.4 Flash and Distillation / 188 11.3 Reaction Kinetics / 188 11.4 Overall and Per-Pass Conversion / 189 11.5 Phase Equilibrium / 191 11.6 Effects of Design Optimization Variables / 192 11.6.1 Economic Basis / 192 11.6.2 Effect of Pressure / 193 11.6.3 Effect of Reactor Size / 195 11.6.4 Effect of Vent/Recycle Split / 196 11.6.5 Effect of Flash-Tank Pressure / 197 11.6.6 Optimum Distillation Column Design / 198 11.7 Plantwide Control / 201 11.7.1 Control Structure / 201 11.7.2 Column Control Structure Selection / 203 11.7.3 High-Pressure Override Controller / 203 11.7.4 Dynamic Performance Results / 204 11.8 Conclusion / 209 References / 210 12 DESIGN AND CONTROL OF THE METHOXY-METHYL-HEPTANE PROCESS 211 12.1 Introduction / 211 12.2 Process Studied / 212 12.2.1 Reactor / 212 12.2.2 Column C1 / 213 12.2.3 Column C2 / 213 12.2.4 Column C3 / 213 12.3 Reaction Kinetics / 213 12.4 Phase Equilibrium / 215 12.5 Design Optimization / 215 12.5.1 Economic Basis / 216 12.5.2 Reactor Size versus Recycle Trade-Off / 216 12.6 Optimum Distillation Column Design / 220 12.6.1 Column Pressures / 220 12.6.2 Number of Stages / 220 12.6.3 Column Profiles / 222 12.7 Plantwide Control / 223 12.7.1 Control Structure / 225 12.7.2 Dynamic Performance Results / 227 12.8 Conclusion / 230 References / 231 13 DESIGN AND CONTROL OF A METHYL ACETATE PROCESS USING CARBONYLATION OF DIMETHYL ETHER 233 13.1 Introduction / 233 13.2 Dehydration Section / 234 13.2.1 Process Description of Dehydration Section / 234 13.2.2 Dehydration Kinetics / 235 13.2.3 Alternative Flowsheets / 236 13.2.4 Optimization of Three Flowsheets / 240 13.3 Carbonylation Section / 245 13.3.1 Process Description / 246 13.3.2 Carbonylation Kinetics / 247 13.3.3 Effect of Parameters / 248 13.3.4 Flowsheet Convergence / 250 13.3.5 Optimization / 251 13.4 Plantwide Control / 255 13.4.1 Control Structure / 255 13.4.2 Dynamic Performance / 261 13.5 Conclusion / 262 References / 262 14 DESIGN AND CONTROL OF THE MONO-ISOPROPYL AMINE PROCESS 263 14.1 Introduction / 263 14.2 Process Studied / 264 14.2.1 Reaction Kinetics / 264 14.2.2 Phase Equilibrium / 265 14.2.3 Flowsheet / 266 14.3 Economic Optimization / 268 14.3.1 Design Optimization Variables / 268 14.3.2 Optimization Results / 269 14.4 Plantwide Control / 270 14.4.1 Dynamic Model Sizing / 271 14.4.2 Distillation Column Control Structures / 272 14.4.3 Plantwide Control Structure / 276 14.5 Conclusion / 289 References / 290 15 DESIGN AND CONTROL OF THE STYRENE PROCESS 291 15.1 Introduction / 292 15.2 Kinetics and Phase Equilibrium / 293 15.2.1 Reaction Kinetics / 293 15.2.2 Phase Equilibrium / 294 15.3 Vasudevan et al. Flowsheet / 295 15.3.1 Reactors / 295 15.3.2 Condenser and Decanter / 295 15.3.3 Product Column C1 / 296 15.3.4 Recycle Column C2 / 298 15.4 Effects of Design Optimization Variables / 298 15.4.1 Effect of Process Steam / 298 15.4.2 Effect of Reactor Inlet Temperature / 301 15.4.3 Effect of Reactor Size / 302 15.4.4 Optimum Distillation Column Design / 303 15.4.5 Number of Reactors / 304 15.4.6 Reoptimization / 304 15.4.7 Other Improvements / 305 15.5 Proposed Design / 305 15.6 Plantwide Control / 306 15.6.1 Control Structure / 306 15.6.2 Column Control Structure Selection / 310 15.6.3 Dynamic Performance Results / 312 15.7 Conclusion / 317 References / 317 NOMENCLATURE 319 INDEX 321

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Book SynopsisExplores both the benefits and limitations of new UHPLC technology High performance liquid chromatography (HPLC) has been widely used in analytical chemistry and biochemistry to separate, identify, and quantify compounds for decades. The science of liquid chromatography, however, was revolutionized a few years ago with the advent of ultra-high performance liquid chromatography (UHPLC), which made it possible for researchers to analyze sample compounds with greater speed, resolution, and sensitivity. Ultra-High Performance Liquid Chromatography and Its Applications enables readers to maximize the performance of UHPLC as well as develop UHPLC methods tailored to their particular research needs. Readers familiar with HPLC methods will learn how to transfer these methods to a UHPLC platform and vice versa. In addition, the book explores a variety of UHPLC applications designed to support research in such fields as pharmaceuticals, food safety, clinical mediciTable of ContentsPreface vii Contributors ix 1. UHPLC Method Development 1 Shujun Chen and Alireza Kord 2. Method Transfer Between HPLC and UHPLC Platforms 31 Gregory K. Webster, Thomas F. Cullen, and Laila Kott 3. Practical Aspects of Ultrahigh Performance Liquid Chromatography 55 Naijun Wu, Christopher J. Welch, Theresa K. Natishan, Hong Gao, Tilak Chandrasekaran, and Li Zhang 4. Coupling UHPLC with MS: The Needs, Challenges, and Applications 95 Julie Schappler, Serge Rudaz, Jean-Luc Veuthey, and Davy Guillarme 5. The Potential of Shell Particles in Fast Liquid Chromatography 133 Szabolcs Fekete and Jeno Fekete 6. UHPLC Determination of Drugs of Abuse in Human Biological Matrices 169 Fabio Gosetti, Eleonora Mazzucco, and Maria Carla Gennaro 7. UHPLC in the Analyses of Isoflavones and Flavonoids 197 Sylwia Magiera and Irena Baranowska 8. UHPLC for Characterization of Protein Therapeutics 235 Jennifer C. Rea, Yajun Jennifer Wang, and Taylor Zhang 9. UHPLC/MS Analysis of Illicit Drugs 253 Guifeng Jiang, Jason R. Stenzel, Ray Chen, and Diab Elmashni 10. Ultra-High Performance Liquid Chromatography – Mass Spectrometry and Its Application 271 Zhili Xiong, Ying Deng, and Famei Li Index 291

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Book SynopsisPresents the synthesis, technology and processing details of a large range of polymers derived from renewable resources It has been a long-term desire to replace polymers from fossil fuels with the more environmentally friendly polymers generated from renewable resources.Table of ContentsPreface xii List of Contributors xv 1. Polymers from renewable Resources 1 V. Mittal 1.1 Introduction 1 1.2 Naturally Renewable Methylene Butyrolactones 4 1.3 Renewable Rosin Acid-Degradable Caprolactone Block Copolymers 6 1.4 Plant Oils as Platform Chemicals for Polymer Synthesis 7 1.5 Biosourced Sterecontrolled Polytriazoles 9 1.6 Polymers from Naturally Occurring Monoterpene 10 1.7 Polymerization of Biosourced 2- (Methacryloyloxy) ethyl Tiglate 11 1.8 Oxypropylation of Repeseed Cake Residue 12 1.9 Copolymerization of Naturally Occurring Limonene 13 1.10 Polymerization of Lactides 14 1.11 Nanocomposites Using Renewable Polymers 19 1.12 Castor Oil Based Thermosets 19 References 22 2. Design, Synthesis, Property, and Application of Plant Oil Polymers 23 Keshar Prassain and Duy H. Hua 2.1 Introduction 24 2.2 Triglyceride Polymers 25 2.3 Summary 65 Reference 65 3. Advances in Acid Mediated Polymerizations 69 Stewart P. Lewis and R. Mathers 3.1 Introduction 70 3.2 Problems Inherent to Cationic Ole. N Polymerization 72 3.3 Progress Toward Cleaner Cationic Polymerization 75 3.4 Environmental Bene. Ts via New Process Conditions 158 3.5 Cationic Polymerization of Monomers Derived from Renewable Resources 161 3.6 Sustainable Synthesis of Monomers for Cationic Polymerization 163 References 164 4. Olive Oil Wastewater as a Renewable Resource for Production of Polyhydroxyalkanoates 175 Francesco Valentino, Marianna Villano, Lorenzo Bertin, Mario Beccari, and Mauro Majone 4.1 Polyhydroxyalkanoates (PHAs): Structure, Properties, and Applications 175 4.2 PHA Production Processes Employing Pure Microbial Cultures 177 4.3 PHA Production Processes Employing Mixed Microbial Cultures 178 4.4 Olive Oil Mill Ef. Uents (OMEs) as a Possible Feedstock for PHA Production 197 4.5 OMEs as Feedstock for PHA Production 206 4.6 Concluding Remarks 211 References 212 5. Atom Transfer Radical Polymerization (ATRP) for Production of Polymers from Renewable Resources 221 Kattimuttathu I. Suresh 5.1 Introduction 221 5.2 Atom Transfer Radical Polymerization (ATRP) 222 5.3 Synthetic Strategies to Develop Functional Material Based on Renewable Resources – Composition, Topologies and Functionalities 227 5.4 Sustainable Sources for Monomers with a Potential for Making Novel Renewable Polymers 231 5.5 Conclusions and Outlook 241 References 242 6. Renewable Polymers in Transgenic Crop Plants 247 Tina Hausmann and Inge Broer 6.1 Natural Plant Polymers 248 6.2 De Novo Synthesis of Polymers in Plants 269 6.3 Conclusion 289 References 291 7. Polyesters, Polycarbonates and Polyamides Based on Renewable Resources 305 Bart A. J. Noordover 7.1 Introduction 306 7.2 Biomass-Based Monomers 307 7.3 Polyesters Based on Renewable Resources 308 7.4 Polycarbonates Based on Renewable Resources 332 7.5 Polyamides Based on Renewable Resources 344 7.6 Conclusions 349 References 350 8. Succinic Acid: Synthesis of Biobased Polymers from Renewable Resources 355 Stephen Kabasci and Inna Bretz 8.1 Introduction 355 8.2 Polymerization 359 8.3 Conclusions 371 References 372 9. 5-Hydroxymethylfurfural Based Polymers 381 Ananda S. Amarasekara 9.1 Introduction 381 9.2 5-Hydroxymethylfurfural 382 9.3 5-Hydroxymethylfurfural Derivatives 393 9.4 Polymers from 5-Hydroxymethylfurfural Derivatives 398 9.5 Conclusion 421 References 422 10. Natural Polymers-A Boon for Drug Delivery Rajesh. N. Uma, and Valluru Ravi 10.1 Introduction 429 10.2 Acacia 429 10.3 Agar 431 10.4 Alginate 433 10.5 Carrageenan 436 10.6 Cellulose 438 10.7 Chitosan 440 10.8 Dextrin 444 10.9 Dextrin 445 10.10 Gellan Gum 447 10.11 Guar Gum 448 10.12 Inulin 451 10.13 Karaya Gum 454 10.14 Konjac Glucomannan 453 10.15 Locust Bean Gum 454 10.16 Locust Gum 455 10.17 Pectin 455 10.18 Psyllium Husk 457 10.19 Scleroglucan 457 10.20 Starch 460 10.21 Xanthan Gum 462 References 465 Index 473

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Book SynopsisCorrosion Chemistry details the scientific background of the corrosion process and contemporary applications for dealing with corrosion for engineers and scientists, covering the most recent breakthroughs and trends.Table of ContentsList of tables ix Acknowledgements xi Preface xiii 1. Corrosion and Its Definition 01 2. The Corrosion Process and Affecting Factors 03 3. Corrosion Types Based on Mechanism 07 3.1 Uniform Corrosion 07 3.2 Pitting Corrosion 08 3.3 Crevice Corrosion 09 3.4 Galvanic Corrosion 10 3.5 Intergranular Corrosion 11 3.6 Selective Corrosion 12 3.7 Erosion or Abrasion Corrosion 12 3.8 Cavitation Corrosion 12 3.9 Fretting Corrosion 13 3.10 Stress Corrosion Cracking 13 3.11 Microbial Corrosion 13 4. Corrosion Types of Based on the Media 15 4.1 Atmospheric Corrosion 15 4.2 Corrosion in Water 18 4.3 Corrosion in Soil 20 5. Nature of Protective Metal Oxide Films 23 6. Effect of Aggressive Anions on Corrosion 27 7. Corrosion Prevention Methods 31 8. Commonly Used Alloys and their Properties 33 8.1 Aluminum 2024 Alloy 35 8.2 Aluminum 7075 Alloy 36 8.3 Aluminum 6061 Alloy 36 9. Cost of Corrosion and Use of Corrosion Inhibitors 39 10. Types of Corrosion Inhibitors 43 10.1 Anodic Inhibitors 44 10.2 Cathodic Inhibitors 44 11. Chromates: Best Corrosion Inhibitors to Date 47 11.1 Limitations on the Use of Chromates due to Toxicity 48 11.2 Corrosion Inhibition Mechanism of Chromates 53 12. Chromate Inhibitor Replacements: Current and Potential Applications 57 12.1 Nitrites 58 12.2 Trivalent Chromium Compounds 59 12.3 Oxyanions Analogous to Chromate 59 12.4 Synergistic Use of Oxyanions Analogues of Chromate 66 13. Sol-Gels (Ormosils) as Chromate Inhibitor Replacements: Properties and Uses 69 13.1 Types of Sol-Gel s 69 13.1 Types of Sol-Gels 70 13.2 Corrosion Inhibition Mechanism of Sol-Gel Coatings 72 13.3 Synthesis of Sol-Gels 75 13.4 Incorporation of Corrosion Inhibitive Pigments to Sol-Gel Coatings 77 14. Corrosion in Engineering Materials 81 14.1 Introduction 81 14.2 Steel Structures 82 14.3 Concrete Structures 85 14.4 Protection against Corrosion in Construction 95 14.5 Corrosion of Unbonded Prestressing Tendons 116 14.6 Cathodic Protection 120 14.7 Corrosion in Industry Projects 135 References 145 Index 173

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Book SynopsisProteins in solution and at interfaces are increasingly used in exciting new applications, from biomimetic materials to nanoparticle patterning.Table of ContentsPREFACE ix CONTRIBUTORS xiii PART I 1 X-Ray Crystallography of Biological Macromolecules: Fundamentals and Applications 3 Antonio L. Llamas-Saiz and Mark J. van Raaij 2 Nuclear Magnetic Resonance Methods for Studying Soluble, Fibrous, and Membrane-Embedded Proteins 23 Victoria A. Higman 3 Small-Angle X-Ray Scattering Applied to Proteins in Solution 49 Leandro Ramos Souza Barbosa, Francesco Spinozzi, Paolo Mariani, and Rosangela Itri 4 Analyzing the Solution State of Protein Structure, Interactions, and Ligands by Spectroscopic Methods 73 Veronica I. Dodero and Paula V. Messina 5 Resolving Membrane-Bound Protein Orientation and Conformation by Neutron Reflectivity 99 Hirsh Nanda 6 Investigating Protein Interactions at Solid Surfaces—In Situ, Nonlabeling Techniques 113 Olof Svensson, Javier Sotres, and Alejandro Barrantes 7 Calorimetric Methods to Characterize the Forces Driving Macromolecular Association and Folding Processes 139 Conceic¸ ˜ao A.S.A. Minetti, Peter L. Privalov, and David P. Remeta 8 Virtual Ligand Screening Against Comparative Models of Proteins 179 Hao Fan 9 Atomistic and Coarse-Grained Molecular Dynamics Simulations of Membrane Proteins 193 Thomas J. Piggot, Peter J. Bond, and Syma Khalid PART II 10 Preparation of Nanomaterials Based on Peptides and Proteins 209 Yujing Sun and Zhuang Li 11 Natural Fibrous Proteins: Structural Analysis, Assembly, and Applications 219 Mark J. van Raaij and Anna Mitraki 12 Amyloid-Like Fibrils: Origin, Structure, Properties, and Potential Technological Applications 233 Pablo Taboada, Silvia Barbosa, Josue Juarez, Manuel-Alatorre Meda, and Výctor Mosquera 13 Proteins and Peptides in Biomimetic Polymeric Membranes 283 Alfredo Gonzalez-Perez 14 Study of Proteins and Peptides at Interfaces By Molecular Dynamics Simulation Techniques 291 David Poger and Alan E. Mark 15 A Single-Molecule Approach to Explore the Role of the Solvent Environment in Protein Folding 315 Katarzyna Tych and Lorna Dougan 16 Enhanced Functionality of Peroxidases By Its Immobilization at The Solid–Liquid Interface of Mesoporous Materials and Nanoparticles 335 Jose Campos-Teran, Iker Inarritu, Jorge Aburto, and Eduardo Torres 17 Superactivity of Enzymes in Supramolecular Hydrogels 353 Ye Zhang and Bing Xu 18 Surfactant Proteins and Natural Biofoams 365 Malcolm W. Kennedy and Alan Cooper 19 Promiscuous Enzymes 379 Luis F. Olguin 20 Thermodynamics and Kinetics of Mixed Protein/Surfactant Adsorption Layers at Liquid Interfaces 389 Reinhard Miller, E.V. Aksenenko, V.S. Alahverdjieva, V.B. Fainerman, C.S. Kotsmar, J. Kragel, M.E. Leser, J. Maldonado-Valderrama, V. Pradines, C. Stefaniu, A. Stocco, and R. Wustneck 21 Application of Force Spectroscopy Methods to the Study of Biomaterials 429 Chuan Xu and Erika F. Merschrod S. 22 Protein Gel Rheology 437 Katie Weigandt and Danilo Pozzo 23 Exploring Biomolecular Thermodynamics in Aqueous and Nonaqueous Environments using Time-Resolved Photothermal Methods 449 Randy W. Larsen, Carissa M. Vetromile, William A. Maza, Khoa Pham, Jaroslava Miksovska INDEX 473

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Book SynopsisOrganic Reaction Mechanisms 2010, the 46th annual volume in this highly successful and unique series, surveys research on organic reaction mechanisms described in the available literature dated 2010.Table of Contents1. Reactions of Aldehydes and Ketones and their Derivatives 1 B. A. Murray 2. Reactions of Carboxylic, Phosphoric, and Sulfonic Acids and their Derivatives 55 C. T. Bedford 3. Oxidation and Reduction 79 K. K. Banerji 4. Carbenes and Nitrenes 155 E. Gras 5. Nucleophilic Aromatic Substitution 175 M. R. Crampton 6. Electrophilic Aromatic Substitution 191 M. R. Crampton 7. Carbocations 213 R. A. McClelland 8. Nucleophilic Aliphatic Substitution 229 K. C. Westaway 9. Carbanions and Electrophilic Aliphatic Substitution 265 M. L. Birsa 10. Elimination Reactions 285 M. L. Birsa 11. Addition Reactions: Polar Addition 299 Kočovsḱý 12. Addition Reactions: Cycloaddition 363 N. Dennis 13. Molecular Rearrangements: Part 1. Pericyclic Reactions 393 J. M. Coxon 14. Molecular Rearrangements: Part 2. Other Reactions 419 A. Brandi and M. Gensini Author Index. 457 Subject Index 495

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Book SynopsisAntibacterial agents act against bacterial infection either by killing the bacterium or by arresting its growth. They do this by targeting bacterial DNA and its associated processes, attacking bacterial metabolic processes including protein synthesis, or interfering with bacterial cell wall synthesis and function. Antibacterial Agents is an essential guide to this important class of chemotherapeutic drugs. Compounds are organised according to their target, which helps the reader understand the mechanism of action of these drugs and how resistance can arise. The book uses an integrated lab-to-clinic approach which covers drug discovery, source or synthesis, mode of action, mechanisms of resistance, clinical aspects (including links to current guidelines, significant drug interactions, cautions and contraindications), prodrugs and future improvements. Agents covered include: agents targeting DNA - quinolone, rifamycin, and nitroimidazole Table of ContentsPreface xiii SECTION 1 INTRODUCTION TO MICROORGANISMS AND ANTIBACTERIAL CHEMOTHERAPY 1 1.1 Microorganisms 3 Key points 3 1.1.1 Classification 3 1.1.2 Structure 4 1.1.3 Antibacterial targets 6 1.1.4 Bacterial detection and identification 17 1.1.5 Other than its mode of action, what factors determine the antibacterial activity of a drug? 25 1.1.6 Bacterial resistance 27 1.1.7 The ‘post-antibiotic age’? 29 References 31 Questions 33 SECTION 2 AGENTS TARGETING DNA 35 2.1 Quinolone antibacterial agents 37 Key points 37 2.1.1 Discovery 37 2.1.2 Synthesis 39 2.1.3 Bioavailability 41 2.1.4 Mode of action and selectivity 44 2.1.5 Bacterial resistance 45 2.1.6 Clinical applications 47 2.1.7 Adverse drug reactions 50 2.1.8 Drug interactions 55 2.1.9 Recent developments 56 References 60 2.2 Rifamycin antibacterial agents 63 Key points 63 2.2.1 Discovery 63 2.2.2 Synthesis 65 2.2.3 Bioavailability 68 2.2.4 Mode of action and selectivity 69 2.2.5 Bacterial resistance 71 2.2.6 Clinical applications 71 2.2.7 Adverse drug reactions 77 2.2.8 Drug interactions 78 2.2.9 Recent developments 81 References 81 2.3 Nitroimidazole antibacterial agents 85 Key points 85 2.3.1 Discovery 85 2.3.2 Synthesis 86 2.3.3 Bioavailability 86 2.3.4 Mode of action and selectivity 87 2.3.5 Mechanisms of resistance 89 2.3.6 Clinical applications 90 2.3.7 Adverse drug reactions 94 2.3.8 Drug interactions 95 2.3.9 Recent developments 96 References 97 Questions 101 SECTION 3 AGENTS TARGETING METABOLIC PROCESSES 103 3.1 Sulfonamide antibacterial agents 105 Key points 105 3.1.1 Discovery 105 3.1.2 Synthesis 107 3.1.3 Bioavailability 108 3.1.4 Mode of action and selectivity 111 3.1.5 Bacterial resistance 114 3.1.6 Clinical applications 115 3.1.7 Adverse drug reactions 119 3.1.8 Drug interactions 121 3.1.9 Recent developments 123 References 124 3.2 Trimethoprim 127 Key points 127 3.2.1 Discovery 127 3.2.2 Synthesis 128 3.2.3 Bioavailability 130 3.2.4 Mode of action and selectivity 130 3.2.5 Bacterial resistance 136 3.2.6 Clinical applications 136 3.2.7 Adverse drug reactions 138 3.2.8 Drug interactions 138 3.2.9 Recent developments 139 References 140 Questions 145 SECTION 4 AGENTS TARGETING PROTEIN SYNTHESIS 147 4.1 Aminoglycoside antibiotics 149 Key points 149 4.1.1 Discovery 149 4.1.2 Synthesis 152 4.1.3 Bioavailability 156 4.1.4 Mode of action and selectivity 158 4.1.5 Bacterial resistance 160 4.1.6 Clinical applications 161 4.1.7 Adverse drug reactions 165 4.1.8 Drug interactions 167 4.1.9 Recent developments 168 References 168 4.2 Macrolide antibiotics 173 Key points 173 4.2.1 Discovery 173 4.2.2 Synthesis 175 4.2.3 Bioavailability 177 4.2.4 Mode of action and selectivity 180 4.2.5 Bacterial resistance 181 4.2.6 Clinical applications 182 4.2.7 Adverse drug reactions 187 4.2.8 Drug interactions 189 4.2.9 Recent developments 191 References 193 4.3 Tetracycline antibiotics 197 Key points 197 4.3.1 Discovery 197 4.3.2 Synthesis 200 4.3.3 Bioavailability 205 4.3.4 Mode of action and selectivity 210 4.3.5 Bacterial resistance 213 4.3.6 Clinical applications 217 4.3.7 Adverse drug reactions 223 4.3.8 Drug interactions 224 4.3.9 Recent developments 224 References 225 4.4 Chloramphenicol 231 Key points 231 4.4.1 Discovery 231 4.4.2 Synthesis 231 4.4.3 Bioavailability 232 4.4.4 Mode of action and selectivity 235 4.4.5 Bacterial resistance 235 4.4.6 Clinical applications 236 4.4.7 Adverse drug reactions 239 4.4.8 Drug interactions 239 4.4.9 Recent developments 240 References 241 4.5 Oxazolidinones 243 Key points 243 4.5.1 Discovery 243 4.5.2 Synthesis 245 4.5.3 Bioavailability 247 4.5.4 Mode of action and selectivity 248 4.5.5 Bacterial resistance 249 4.5.6 Clinical applications 251 4.5.7 Adverse drug reactions 252 4.5.8 Drug interactions 253 4.5.9 Recent developments 254 References 254 Questions 259 SECTION 5 AGENTS TARGETING CELL-WALL SYNTHESIS 261 5.1 b-Lactam antibiotics 263 Key points 263 5.1.1 Discovery 263 5.1.2 Synthesis 272 5.1.3 Bioavailability 277 5.1.4 Mode of action and selectivity 284 5.1.5 Bacterial resistance 285 5.1.6 Clinical applications 290 5.1.7 Adverse drug reactions 296 5.1.8 Drug interactions 298 5.1.9 Recent developments 300 References 301 5.2 Glycopeptide antibiotics 305 Key points 305 5.2.1 Discovery 305 5.2.2 Synthesis 306 5.2.3 Bioavailability 307 5.2.4 Mode of action and selectivity 308 5.2.5 Bacterial resistance 309 5.2.6 Clinical applications 313 5.2.7 Adverse drug reactions 314 5.2.8 Drug interactions 316 5.2.9 Recent developments 316 References 317 5.3 Cycloserine 319 Key points 319 5.3.1 Discovery 319 5.3.2 Synthesis 320 5.3.3 Bioavailability 320 5.3.4 Mode of action and selectivity 321 5.3.5 Bacterial resistance 323 5.3.6 Clinical applications 323 5.3.7 Adverse drug reactions 325 5.3.8 Drug interactions 325 5.3.9 Recent developments 325 References 325 5.4 Isoniazid 327 Key points 327 5.4.1 Discovery 327 5.4.2 Synthesis 328 5.4.3 Bioavailability 329 5.4.4 Mode of action and selectivity 329 5.4.5 Bacterial resistance 330 5.4.6 Clinical applications 331 5.4.7 Adverse drug reactions 333 5.4.8 Drug interactions 334 5.4.9 Recent developments 335 References 335 5.5 Daptomycin 339 Key points 339 5.5.1 Discovery 339 5.5.2 Synthesis 340 5.5.3 Bioavailability 341 5.5.4 Mode of action and selectivity 341 5.5.5 Bacterial resistance 343 5.5.6 Clinical applications 343 5.5.7 Adverse drug reactions 344 5.5.8 Drug interactions 345 5.5.9 Recent developments 345 References 346 Questions 349 Index 351

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Book SynopsisMetallofoldamers are oligomers that fold into three-dimensional structures in a controlled manner upon coordination with metal ions. Molecules in this class have shown an impressive ability to form single-handed helical structures and other three-dimensional architectures. Several metallofoldamers have been applied as sensors due to their selective folding when binding to a specific metal ion, while others show promise for applications as responsive materials on the basis of their ability to fold and unfold upon changes in the oxidation state of the coordinated metal ion, and as novel catalysts. Metallofoldamers: From Helicates to Biomimetic Architectures describes the variety of interactions between oligomers and metal species, with a focus on non-natural synthetic molecules. Topics covered include: the major classes of foldamers and their folding driving force metalloproteins and metalloenzymes helicates: self-assembly, stTrade Review“Overall, the book is an interesting read and a useful reference for the chemistry of helicates and for those interested in metallosupramolecular chemistry more generally.” (Applied Organometallic Chemistry, 31 October 2014) Table of ContentsList of Contributors xi Foreword xiii Preface xv 1 Metalloproteins and Metallopeptides – Natural Metallofoldamers 1 Vasiliki Lykourinou and Li-June Ming 1.1 Introduction 1 1.2 Metalloproteins 2 1.3 Metallopeptides 12 1.4 Conclusion and Perspectives 28 Acknowledgements 30 References 30 2 Introduction to Unnatural Foldamers 51 Claudia Tomasini and Nicola Castellucci 2.1 General Definition of Foldamers 51 2.2 Biotic Foldamers 53 2.3 Abiotic Foldamers 70 2.4 Organization Induced by External Agents 72 2.5 Applications 78 2.6 Conclusions and Outlook 81 References 81 3 Self-Assembly Principles of Helicates 91 Josef Hamacek 3.1 Introduction 91 3.2 Thermodynamic Considerations in Self-Assembly 93 3.3 Cooperativity in Self-Assembly 100 3.4 Kinetic Aspects of Multicomponent Organization 104 3.5 Understanding Self-Assembly Processes 108 3.6 Secondary Structure and Stabilizing Interactions 118 3.7 Conclusions 118 References 120 4 Structural Aspects of Helicates 125 Martin Berg and Arne Lützen 4.1 Introduction 125 4.2 Structural Dynamics 127 4.3 Template Effects 129 4.4 Sequence Selectivity 130 4.5 Self-Sorting Effects in Helicate Formation 135 4.6 Diastereoselectivity I – “Meso”-Helicate versus Helicate Formation 138 4.7 Diastereoselectivity II – Enantiomerically Pure Helicates from Chiral Ligands 139 4.8 Summary and Outlook 150 References 151 5 Helical Structures Featuring Thiolato Donors 159 F. Ekkehardt Hahn and Dennis Lewing 5.1 Introduction 159 5.2 Coordination Chemistry of Bis- and Tris(Benzene-o-Dithiolato) Ligands 162 5.3 Coordination Chemistry of Mixed Bis(Benzene-o-Dithiol)/Catechol Ligands 176 5.4 Subcomponent Self-Assembly Reactions 181 5.5 Summary and Outlook 186 References 186 6 Photophysical Properties and Applications of Lanthanoid Helicates 193 Jean-Claude G. Bünzli List of Acronyms and Abbreviations 193 6.1 Introduction 194 6.2 Homometallic Lanthanoid Helicates 197 6.3 Heterometallic d-f Helicates 223 6.4 Chiral Helicates 236 6.5 Extended Helical Structures 239 6.6 Perspectives 240 Acknowledgements 241 References 241 7 Design of Supramolecular Materials: Liquid-Crystalline Helicates 249 Raymond Ziessel 7.1 Introduction 249 7.2 Imino-Bipyridine and Imino-Phenanthroline Helicates 252 7.2.1 Liquid Crystals from Imino-Polypyridine Based Helicates 257 7.3 Conclusions 266 7.4 Outlook and Perspectives 267 Acknowledgements 268 References 268 8 Helicates, Peptide-Helicates and Metal-Assisted Stabilization of Peptide Microstructures 275 Markus Albrecht 8.1 Introduction 275 8.2 Selected Examples of Metal Peptide Conjugates 276 8.3 Helicates and Peptide-Helicates 279 8.4 Metal-Assisted Stabilization of Peptide Microstructures 288 8.5 Conclusion 298 References 300 9 Artificial DNA Directed toward Synthetic Metallofoldamers 303 Guido H. Clever and Mitsuhiko Shionoya 9.1 Introduction 303 9.2 The Quest for Alternative Base Pairing Systems 309 9.3 Design and Synthesis of Metal Base Pairs 311 9.4 Assembly and Analysis of Metal Base Pairs Inside the DNA Double Helix 315 9.5 Artificial DNA for Synthetic Metallofoldamers 318 9.6 Functions, Applications and Future Directions 324 References 327 10 Metal Complexes as Alternative Base Pairs or Triplets in Natural and Synthetic Nucleic Acid Structures 333 Arnie De Leon, Jing Kong, and Catalina Achim 10.1 Introduction 333 10.2 Brief Overview of Synthetic Analogues of DNA: PNA, LNA, UNA, and GNA 338 10.3 Metal-Containing, Ligand-Modified Nucleic Acid Duplexes 340 10.4 Duplexes Containing Multiple Metal Complexes 361 10.5 Metal-Containing, Ligand-Modified Nucleic Acid Triplexes 367 10.6 Summary and Outlook 367 Acknowledgement 369 Abbreviations 369 References 370 11 Interaction of Biomimetic Oligomers with Metal Ions 379 Galia Maayan 11.1 Introduction 380 11.2 Single-Stranded Oligomers in Which Metal Coordination Templates, or Templates and Nucleates the Formation of an Abiotic Helix 381 11.3 Folded Oligomers in Which Metal Coordination Nucleates the Formation of an Abiotic Single-Stranded Helix 384 11.4 Folded Oligomers in Which Metal Coordination Enhances Secondary Structure and Leads to Higher-Order Architectures 393 11.5 Concluding Remarks 402 References 402 12 Applications of Metallofoldamers 407 Yan Zhao 12.1 Introduction 407 12.2 Metallofoldamers in Molecular Recognition 409 12.3 Metallofoldamers as Sensors for Metal Ions 414 12.4 Metallofoldamers as Dynamic Materials 419 12.5 Conclusions and Outlook 429 References 430 Index 433

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Book SynopsisIn order to successfully compete as a sustainable energy source, the value of biomass must be maximized through the production of valuable co-products in the biorefinery.Table of ContentsSeries Preface xiii Preface xv List of Contributors xvii 1 An Overview of Biorefinery Technology 1 Mahmoud A. Sharara, Edgar C. Clausen and Danielle Julie Carrier 1.1 Introduction 1 1.2 Feedstock 2 1.3 Thermochemical Conversion of Biomass 4 1.4 Biochemical Conversion 10 1.5 Conclusion 15 2 Overview of the Chemistry of Primary and Secondary Plant Metabolites 19 Chantal Bergeron 2.1 Introduction 19 2.2 Primary Metabolites 20 2.3 Secondary Metabolites 23 2.4 Stability of Isolated Compounds 35 2.5 Conclusion 35 3 Separation and Purification of Phytochemicals as Co-Products in Biorefineries 37 Hua-Jiang Huang and Shri Ramaswamy 3.1 Introduction 37 3.2 Conventional Separation Approaches 39 3.3 Supercritical Fluid Extraction 45 3.4 Separation and Purification of Phytochemicals from Plant Extracts and Dilute Solution in Biorefineries 46 3.5 Summary 49 4 Phytochemicals from Corn: a Processing Perspective 55 Kent Rausch 4.1 Introduction: Corn Processes 55 4.2 Phytochemicals Found in Corn 63 4.3 Corn Processing Effects on Phytochemical Recovery 71 4.4 Conclusions 86 5 Co-Products from Cereal and Oilseed Biorefinery Systems 93 Nurhan Turgut Dunford 5.1 Introduction 93 5.2 Cereals 95 5.3 Oilseed Biorefineries 102 5.4 Conclusions 108 6 Bioactive Soy Co-Products 117 Arvind Kannan, Srinivas Rayaprolu and Navam Hettiarachchy 6.1 Introduction 117 6.2 Co-Products Obtained from Industrial Biorefineries 119 6.3 Technologies Used to Extract Co-Products 122 6.4 Bioactivities and Nutritional Value in Biorefinery Co-Products 123 6.5 Modern Technologies for Efficient Delivery – Nanoencapsulation 126 6.6 Conclusion and Future Prospects 127 7 Production of Valuable Compounds by Supercritical Technology Using Residues from Sugarcane Processing 133 Juliana M. Prado and M. Angela A. Meireles 7.1 Introduction 133 7.2 Supercritical Fluid Extraction of Filter Cake 135 7.3 Process Simulation for Estimating Manufacturing Cost of Extracts 138 7.4 Hydrolysis of Bagasse with Sub/Supercritical Fluids 143 7.5 Conclusions 148 8 Potential Value-Added Co-products from Citrus Fruit Processing 153 John A. Manthey 8.1 Introduction 153 8.2 Fruit Processing and Byproduct Streams 154 8.3 Polysaccharides as Value-Added Products 163 8.4 Phytonutrients as Value-Added Products 165 8.5 Fermentation and Production of Enhanced Byproducts 170 8.6 Conclusion 171 9 Recovery of Leaf Protein for Animal Feed and High-Value Uses 179 Bryan D. Bals, Bruce E. Dale and Venkatesh Balan 9.1 Introduction 179 9.2 Methods of Separating Protein 181 9.3 Protein Concentration 185 9.4 Uses for Leaf Protein 187 9.5 Integration with Biofuel Production 189 9.6 Conclusions 192 10 Phytochemicals from Algae 199 Liam Brennan, Anika Mostaert, Cormac Murphy and Philip Owende 10.1 Introduction 199 10.2 Commercial Applications of Algal Phytochemicals 203 10.3 Production Techniques for Algal Phytochemicals 213 10.4 Extraction Techniques for Algal Phytochemicals 220 10.5 Metabolic Engineering for Synthesis of Algae-Derived Compounds 224 10.6 Phytochemical Market Evolution 228 10.7 Conclusions 228 11 New Bioactive Natural Products from Canadian Boreal Forest 241 Francois Simard, Andre Pichette and Jean Legault 11.1 Introduction 241 11.2 Identification of New Bioactive Natural Products from Canadian Boreal Forest 243 11.3 Chemical Modification of Bioactive Natural Products from the Canadian Boreal Forest 250 11.4 Conclusion 253 12 Pressurized Fluid Extraction and Analysis of Bioactive Compounds in Birch Bark 259 Michelle Co and Charlotta Turner 12.1 Introduction 259 12.2 Qualitative Analysis of Birch Bark 261 12.3 Quantitative Analysis of Bioactive Compounds in Birch 267 12.4 High-Performance Liquid Chromatography with Diode Array, Electrochemical and Mass Spectrometric Detection of Antioxidants 270 12.5 Extraction of Bioactive Compounds 272 12.6 Discussion and Future Perspectives 278 13 Adding Value to the Integrated Forest Biorefinery with Co-Products from Hemicellulose-Rich Pre-Pulping Extract 287 Abigail S. Engelberth and G. Peter van Walsum 13.1 Introduction 287 13.2 Hemicellulose Recovery 289 13.3 Hemicellulose Conversion 295 13.4 Process Economics 305 13.5 Conclusion 306 14 Pyrolysis Bio-Oils from Temperate Forests: Fuels, Phytochemicals and Bioproducts 311 Mamdouh Abou-Zaid and Ian M. Scott 14.1 Introduction 311 14.2 Overview of Forest Feedstock 312 14.3 Pyrolysis Technology 317 14.4 Prospects for Fuel Production 317 14.5 Chemicals in the Bio-Oil 318 14.6 Valuable Chemical Recovery Process 320 14.7 Selected Phytochemicals from Pyrolysis Bio-Oils 321 14.8 Other Products 322 14.9 Future Prospects 323 15 Char from Sugarcane Bagasse 327 K. Thomas Klasson 15.1 Introduction 327 15.2 Sugarcane Bagasse Availability 330 15.3 Thermal Processing in an Inert Atmosphere (Pyrolysis) 331 15.4 Technology for Converting Char to Activated Char 332 15.5 Char and Activated-Char Characterization and Implications for Use 333 15.6 Uses of Bagasse Char and Activated Char 343 15.7 Conclusions 345 References 345 Index 351

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Book SynopsisThe development of new multifunctional membranes and materials which respond to external stimuli, such as pH, temperature, light, biochemicals or magnetic or electrical signals, represents new approaches to separations, reactions, or recognitions.Table of ContentsPreface xv List of Contributors xxi 1 Oligonucleic Acids (“Aptamers”) for Designing Stimuli-Responsive Membranes 1 Veli Cengiz O¨ zalp, Mar´ýa Bele´n Serrano-Santos and Thomas Scha¨fer 1.1 Introduction 1 1.2 Aptamers – Structure, Function, Incorporation, and Selection 4 1.3 Characterization Techniques for Aptamer-Target Interactions 7 1.3.1 Measuring Overall Structural Changes of Aptamers Using QCM-D 8 1.3.2 Measuring Overall Structural Changes of Aptamers Using DPI 13 1.4 Aptamers – Applications 17 1.4.1 Electromechanical Gates 17 1.4.2 Stimuli-Responsive Nucleic Acid Gates in Nanoparticles 17 1.4.3 Stimuli-Responsive Aptamer Gates in Nanoparticles 20 1.4.4 Stimuli-Responsive Aptamer-Based Gating Membranes 22 1.5 Outlook 25 Acknowledgements 26 References 26 2 Emerging Membrane Nanomaterials – Towards Natural Selection of Functions 31 Mihail Barboiu 2.1 Introduction 31 2.2 Ion-Pair Conduction Pathways in Liquid and Hybrid Membranes 32 2.3 Dynamic Insidepore Resolution Towards Emergent Membrane Functions 36 2.4 Dynameric Membranes and Materials 39 2.4.1 Constitutional Hybrid Materials 39 2.4.2 Dynameric Membranes Displaying Tunable Properties on Constitutional Exchange 41 2.5 Conclusion 46 Acknowledgements 47 References 47 3 Carbon Nanotube Membranes as an Idealized Platform for Protein Channel Mimetic Pumps 51 Bruce Hinds 3.1 Introduction 51 3.2 Experimental Understanding of Mass Transport Through CNTs 56 3.2.1 Ionic Diffusion and Gatekeeper Activity 57 3.2.2 Gas and Fluid Flow 57 3.3 Electrostatic Gatekeeping and Electro-osmotic Pumping 59 3.3.1 Biological Gating 62 3.4 CNT Membrane Applications 63 3.5 Conclusion and Future Prospects 66 Acknowledgements 67 References 67 4 Synthesis Aspects in the Design of Responsive Membranes 73 Scott M. Husson 4.1 Introduction 73 4.2 Responsive Mechanisms 74 4.3 Responsive Polymers 75 4.3.1 Temperature-Responsive Polymers 75 4.3.2 Polymers that Respond to pH, Ionic Strength, Light 76 4.4 Preparation of Responsive Membranes 77 4.5 Polymer Processing into Membranes 78 4.5.1 Solvent Casting 78 4.5.2 Phase Inversion 78 4.6 In Situ Polymerization 78 4.6.1 Radiation-Based Methods 78 4.6.2 Interpenetrating Polymer Networks (IPNs) 79 4.7 Surface Modification Using Stimuli-Responsive Polymers 79 4.8 “Grafting to” Methods 81 4.8.1 Physical Adsorption – Non-covalent 81 4.8.2 Chemical Grafting – Covalent 81 4.8.3 Surface Entrapment – Non-covalent, Physically Entangled 82 4.9 “Grafting from” – a.k.a. Surface-Initiated Polymerization 83 4.9.1 Photo-Initiated Polymerization 83 4.9.2 Atom Transfer Radical Polymerization 85 4.9.3 Reversible Addition-Fragmentation Chain Transfer Polymerization 87 4.9.4 Other Grafting Methods 91 4.9.5 Summary of “Grafting from” Methods 91 4.10 Future Directions 91 References 92 5 Tunable Separations, Reactions, and Nanoparticle Synthesis in Functionalized Membranes 97 Scott R. Lewis, Vasile Smuleac, Li Xiao and D. Bhattacharyya 5.1 Introduction 97 5.2 Membrane Functionalization 98 5.2.1 Chemical Modification 98 5.2.2 Surface Initiated Membrane Modification 101 5.2.3 Cross-Linked Hydrogel (Pore Filled) Membranes 102 5.2.4 Layer by Layer Assemblies 103 5.3 Applications 104 5.3.1 Water Flux Tunability 104 5.3.2 Tunable Separation of Salts 109 5.3.3 Charged-Polymer Multilayer Assemblies for Environmental Applications 113 5.4 Responsive Membranes and Materials for Catalysis and Reactions 115 5.4.1 Iron-Functionalized Responsive Membranes 116 5.4.2 Responsive Membranes for Enzymatic Catalysis 127 Acknowledgements 132 References 132 6 Responsive Membranes for Water Treatment 143 Qian Yang and S. R. Wickramasinghe 6.1 Introduction 143 6.2 Fabrication of Responsive Membranes 144 6.2.1 Functionalization by Incubation in Liquids 145 6.2.2 Functionalization by Incorporation of Responsive Groups in the Base Membrane 145 6.2.3 Surface Modification of Existing Membranes 148 6.3 Outlook 158 References 159 7 Functionalization of Polymeric Membranes and Feed Spacers for Fouling Control in Drinking Water Treatment Applications 163 Colleen Gorey, Richard Hausman and Isabel C. Escobar 7.1 Membrane Filtration 163 7.2 Fouling 165 7.3 Improving Membrane Performance 168 7.3.1 Plasma Treatment 168 7.3.2 Ultraviolet (UV) Irradiation 170 7.3.3 Membrane Modification by Graft Polymerization 171 7.3.4 Ion Beam Irradiation 176 7.4 Design and Surface Modifications of Feed Spacers for Biofouling Control 178 7.5 Conclusion 180 Acknowledgements 181 References 181 8 Pore-Filled Membranes as Responsive Release Devices 187 Kang Hu and James Dickson 8.1 Introduction 187 8.2 Responsive Pore-Filled Membranes 188 8.3 Development and Characterization of PVDF-PAA Pore-Filled pH-Sensitive Membranes 190 8.3.1 Membrane Gel Incorporation (Mass Gain) 191 8.3.2 Membrane pH Reversibility 191 8.3.3 Membrane Water Flux as pH Varied from 2 to 7.5 191 8.3.4 Effects of Gel Incorporation on Membrane Pure Water Permeabilities at pH Neutral and Acidic 195 8.3.5 Estimation and Calculation of Pore Size 198 8.4 pH-Sensitive Poly(Vinylidene Fluoride)-Poly(Acrylic Acid) Pore-Filled Membranes for Controlled Drug Release in Ruminant Animals 201 8.4.1 Determination of Membrane Diffusion Permeability (PS) for Salicylic Acid 202 8.4.2 Applicability of the Fabricated Pore-Filled Membranes on the Salicylic Acid Release and Retention 205 References 207 9 Magnetic Nanocomposites for Remote Controlled Responsive Therapy and in Vivo Tracking 211 Ashley M. Hawkins, David A. Puleo and J. Zach Hilt 9.1 Introduction 211 9.1.1 Nanocomposite Polymers 211 9.1.2 Magnetic Nanoparticles 212 9.2 Applications of Magnetic Nanocomposite Polymers 212 9.2.1 Thermal Actuation 213 9.2.2 Thermal Therapy 218 9.2.3 Mechanical Actuation 220 9.2.4 In Vivo Tracking and Applications 224 9.3 Concluding Remarks 224 References 224 10 The Interactions between Salt Ions and Thermo-Responsive Poly (N-Isopropylacrylamide) from Molecular Dynamics Simulations 229 Hongbo Du and Xianghong Qian 10.1 Introduction 229 10.2 Computational Details 230 10.3 Results and Discussion 232 10.4 Conclusion 238 Acknowledgements 240 References 240 11 Biologically-Inspired Responsive Materials: Integrating Biological Function into Synthetic Materials 243 Kendrick Turner, Santosh Khatwani and Sylvia Daunert 11.1 Introduction 243 11.2 Biomimetics in Biotechnology 245 11.3 Hinge-Motion Binding Proteins 249 11.4 Calmodulin 250 11.5 Biologically-Inspired Responsive Membranes 251 11.6 Stimuli-Responsive Hydrogels 253 11.7 Micro/Nanofabrication of Hydrogels 255 11.8 Mechanical Characterization of Hydrogels 256 11.9 Creep Properties of Hydrogels 257 11.10 Conclusion and Future Perspectives 258 Acknowledgements 258 References 258 12 Responsive Colloids with Controlled Topology 269 Jeffrey C. Gaulding, Emily S. Herman and L. Andrew Lyon 12.1 Introduction 269 12.2 Inert Core/Responsive Shell Particles 270 12.3 Responsive Core/Responsive Shell Particles 275 12.4 Hollow Particles 281 12.5 Janus Particles 286 12.6 Summary 292 References 293 13 Novel Biomimetic Polymer Gels Exhibiting Self-Oscillation 301 Ryo Yoshida 13.1 Introduction 301 13.2 The Design Concept of Self-Oscillating Gel 303 13.3 Aspects of the Autonomous Swelling–Deswelling Oscillation 303 13.4 Design of Biomimetic Actuator Using Self-Oscillating Polymer and Gel 306 13.4.1 Ciliary Motion Actuator (Artificial Cilia) 306 13.4.2 Self-Walking Gel 307 13.4.3 Theoretical Simulation of the Self-Oscillating Gel 307 13.5 Mass Transport Surface Utilizing Peristaltic Motion of Gel 308 13.6 Self-Oscillating Polymer Chains and Microgels as “Nanooscillators” 309 13.6.1 Solubility Oscillation of Polymer Chains 309 13.6.2 Self-Flocculating/Dispersing Oscillation of Microgels 310 13.6.3 Viscosity Oscillation of Polymer Solution and Microgel Dispersion 311 13.6.4 Attempts of Self-Oscillation under Acid- and Oxidant-Free Physiological Conditions 311 13.7 Conclusion 312 References 312 14 Electroactive Polymer Soft Material Based on Dielectric Elastomer 315 Liwu Liu, Zhen Zhang, Yanju Liu and Jinsong Leng 14.1 Introduction to Electroactive Polymers 315 14.1.1 Development History 316 14.1.2 Classification 316 14.1.3 Electronic Electroactive Polymers 316 14.1.4 Ionic Electroactive Polymers 318 14.1.5 Electroactive Polymer Applications 318 14.1.6 Application of Dielectric Elastomers 318 14.1.7 Manufacturing the Main Structure of Actuators Using EAP Materials 327 14.1.8 The Current Problem for EAP Materials and their Prospects 329 14.2 Materials of Dielectric Elastomers 330 14.2.1 The Working Principle of Dielectric Elastomers 330 14.2.2 Material Modification of Dielectric Elastomer 331 14.2.3 Dielectric Elastomer Composite 334 14.3 The Theory of Dielectric Elastomers 336 14.3.1 Free Energy of Dielectric Elastomer Electromechanical Coupling System 336 14.3.2 Special Elastic Energy 339 14.3.3 Special Electric Field Energy 341 14.3.4 Incompressible Dielectric Elastomer 342 14.3.5 Model of Several Dielectric Elastomers 342 14.4 Failure Model of a Dielectric Elastomer 356 14.4.1 Electrical Breakdown 357 14.4.2 Electromechanical Instability and Snap-Through Instability 357 14.4.3 Loss of Tension 358 14.4.4 Rupture by Stretching 359 14.4.5 Zero Electric Field Condition 359 14.4.6 Super-Electrostriction Deformation of a Dielectric Elastomer 359 14.5 Converter Theory of Dielectric Elastomer 361 14.5.1 Principle for Conversion Cycle 361 14.5.2 Plane Actuator 362 14.5.3 Spring-Roll Dielectric Elastomer Actuator 364 14.5.4 Tube-Type Actuator 365 14.5.5 Film-Spring System 369 14.5.6 Energy Harvester 372 14.5.7 The Non-Linear Vibration of a Dielectric Elastomer Ball 376 14.5.8 Folded Actuator 377 References 379 15 Responsive Membranes/Material-Based Separations: Research and Development Needs 385 Rosemarie D. Wesson, Elizabeth S. Dow and Sonya R. Williams 15.1 Introduction 385 15.2 Water Treatment 386 15.3 Biological Applications 387 15.4 Gas Separation and Additional Applications 388 References 389 Index 395

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Book SynopsisThe book gives an introduction to energetic materials and lasers, properties of such materials and the current methods for initiating energetic materials. The following chapters and sections highlight the properties of lasers, and safety aspects of their application. It covers the properties of in-service energetic materials, and also materials with prospects of being used as insensitive ammunitions in future weapon or missiles systems or as detonators in civilian (mining) applications. Because of the diversity of the topics some sections will naturally separate into different levels of expertise and knowledge.Table of ContentsAbout the Authors xiii Preface xv Acknowledgements xvii 1 Historical Background 1 1.1 Introduction 1 1.2 The Gunpowder Era 2 1.3 Cannons, Muskets and Rockets 2 1.3.1 Musketry 7 1.3.2 Rocketry 9 1.4 Explosive Warheads 9 1.5 Explosives Science 11 Bibliography 14 2 Review of Laser Initiation 17 2.1 Introduction 17 2.2 Initiation Processes 19 2.3 Initiation by Direct Laser Irradiation 21 2.3.1 Laser Power 21 2.3.2 Laser Pulse Duration 22 2.3.3 Absorbing Centres 22 2.3.4 Pressed Density 23 2.3.5 Strength of Confining Container 24 2.3.6 Material Ageing 25 2.3.7 Laser-Induced Electrical Response 25 2.4 Laser-Driven Flyer Plate Initiations 25 2.5 Summary and Research Rationale 27 2.5.1 Rationale for Research 28 Bibliography 29 References 29 3 Lasers and Their Characteristics 35 3.1 Definition of Laser 35 3.2 Concept of Light 36 3.3 Parameters Characterizing Light Sources 39 3.4 Basic Principle of Lasers 45 3.5 Basic Technology of Lasers 47 3.6 Comparison between Laser and Thermal Sources 48 3.7 Suitable Laser Sources for Ignition Applications 49 3.7.1 Nd:YAG Laser 50 3.7.2 Light Emitting Diodes (LEDs) 50 3.7.3 Diode Lasers 52 3.8 Beam Delivery Methods for Laser Ignition 53 3.8.1 Free Space Delivery 53 3.8.2 Fibre Optics Beam Delivery 54 3.9 Laser Safety 57 3.9.1 Laser Interaction with Biological Tissues 57 3.9.2 Precaution against Ocular Hazards 57 Bibliography 59 4 General Characteristics of Energetic Materials 61 4.1 Introduction 61 4.2 The Nature of Explosions 61 4.3 Physical and Chemical Characteristics of Explosives 63 4.4 Fuel and Oxidizer Concept 64 4.4.1 Explosive Mixtures 66 4.4.2 Pyrotechnics 69 4.4.3 Rocket Propellants 73 4.5 Explosive Compounds 74 4.5.1 Chemical Classification 74 4.6 Thermodynamics of Explosions 80 4.6.1 Oxygen Balance 82 Appendix 4.A 83 A.1 Data for Some Explosives 83 A.1.1 TNT (Trinitrotoluene) 83 A.1.2 HNS(Hexanitrostilbene) 83 A.1.3 DATB (1,3,Diamino,2,4,6,trinitrobenzene) 84 A.1.4 TATB (1,3,5,-Triamino-2,4,6-Trinitrobenzene) 84 A.1.5 Picric Acid (2,4,6,trinito- hydroxy benzene) 84 A.1.6 Styphnic Acid (2,4,6,trinito-1,3, dihydroxy benzene) 84 A.1.7 Tetryl or CE (Composition Exploding) 85 A.1.8 PICRITE (Niroguanidine) 85 A.1.9 RDX (Research Department eXplosive) 85 A.1.10 HMX (High Molecular-weight eXplosive) 85 A.1.11 EGDN (Nitroglycol) 86 A.1.12 NG (Nitroglycerine) 86 A.1.13 NC (Nitro-Cellulose) 86 A.1.14 PETN (Pentaerythritol Tetranitrate) 87 A.1.15 Metal Salts 87 A.2 Unusual Explosives 88 A.2.1 Tetrazene 88 Bibliography 89 5 Recent Developments in Explosives 91 5.1 Introduction 91 5.2 Improvements in Explosive Performance 91 5.2.1 Heat of Explosion ΔHc (Q) 91 5.2.2 Density of Explosives 92 5.3 Areas under Development 92 5.3.1 New Requirements for Explosive Compositions 93 5.4 Plastic-Bonded High Explosives 95 5.4.1 Plastic-Bonded Compositions 95 5.4.2 Thermoplastics 96 5.4.3 Thermosetting Materials 96 5.5 Choice of High Explosive for Plastic Bonded Compositions 97 5.6 High-Energy Plastic Matrices 97 5.7 Reduced Sensitivity Explosives 99 5.8 High Positive Enthalpies of Formation Explosives 101 5.8.1 High Nitrogen-Containing Molecules 102 5.8.2 Pure Nitrogen Compounds 102 5.8.3 Other High-Nitrogen Compounds 104 5.8.4 Nitrogen Heterocycles 105 Glossary of Chemical Names for High-Melting-Point Explosives 113 Bibliography 113 References 113 6 Explosion Processes 117 6.1 Introduction 117 6.2 Burning 117 6.3 Detonation 123 6.4 Mechanism of Deflagration to Detonation Transition 124 6.5 Shock-to-Detonation 127 6.6 The Propagation of Detonation 128 6.7 Velocity of Detonation 129 6.7.1 Effect of Density of Loading 131 6.7.2 Effect of Diameter of Charge 131 6.7.3 Degree of Confinement 131 6.7.4 Effect of Strength of Detonator 132 6.8 The Measurement of Detonation Velocity 133 6.9 Classifications of Explosives and Pyrotechnics by Functions and Sensitivity 133 6.10 The Effects of High Explosives 135 6.10.1 Energy Distribution in Explosions 135 6.11 Explosive Power 137 6.12 Calculation of Q and V from Thermochemistry of Explosives 138 6.12.1 General Considerations 138 6.12.2 Energy of Decomposition 138 6.12.3 Products of the Explosion Process 139 6.13 Kistiakowsky - Wilson Rules 140 6.14 Additional Equilibria 141 6.15 Energy Released on Detonation 142 6.16 Volume of Gases Produced during Explosion 144 6.17 Explosive Power 145 6.17.1 Improving Explosives Power 146 6.18 Shockwave Effects 147 6.19 Appendices: Measurement of Velocity of Detonation 149 Appendix 6.A: Dautriche Method 149 Appendix 6.B: The Rotating Mirror Streak Camera Method 151 Appendix 6.C: The Continuous Wire Method 152 Appendix 6.D: The Event Circuit 152 Bibliography 153 References 153 7 Decomposition Processes and Initiation of Energetic Materials 155 7.1 Effect of Heat on Explosives 155 7.2 Decomposition Mechanisms 162 7.2.1 Thermal Decomposition Mechanism of TNT 163 7.2.2 Non-Aromatic Nitro Compounds 164 7.2.3 Nitro Ester Thermal Decomposition 167 7.2.4 Nitramine Thermal Decomposition 168 7.2.5 Photon-Induced Decomposition Mechanisms 169 7.3 Practical Initiation Techniques 172 7.3.1 Methods of Initiation 173 7.3.2 Direct Heating 174 7.3.3 Mechanical Methods 175 7.3.4 Electrical Systems 177 7.3.5 Chemical Reaction 177 7.3.6 Initiation by Shockwave 178 7.4 Classification of Explosives by Ease of Initiation 178 7.5 Initiatory Explosives 179 7.5.1 Primary Explosive Compounds 179 7.5.2 Primer Usage 181 7.6 Igniters and Detonators 182 7.7 Explosive Trains 183 7.7.1 Explosive Trains in Commercial Blasting 187 Bibliography 190 References 190 8 Developments in Alternative Primary Explosives 193 8.1 Safe Handling of Novel Primers 193 8.2 Introduction 193 8.3 Totally Organic 194 8.4 Simple Salts of Organics 199 8.5 Transition Metal Complexes and Salts 202 8.6 Enhancement of Laser Sensitivity 206 References 207 Appendix 8.A: Properties of Novel Primer Explosives 211 Appendix 8.B: Molecular Structures of Some New Primer Compounds 213 Purely Organic Primers 213 9 Optical and Thermal Properties of Energetic Materials 221 9.1 Optical Properties 221 9.1.1 Introduction 221 9.1.2 Theoretical Considerations 222 9.1.3 Practical Considerations 225 9.1.4 Examples of Absorption Spectra 226 9.2 Thermal Properties 231 9.2.1 Introduction 231 9.2.2 Heat Capacity 232 9.2.3 Thermal Conductivity 232 9.2.4 Thermal Diffusivity 233 References 234 10 Theoretical Aspects of Laser Interaction with Energetic Materials 235 10.1 Introduction 235 10.2 Parameters Relevant to Laser Interaction 236 10.2.1 Laser Parameters 236 10.2.2 Material Parameters 236 10.3 Mathematical Formalism 237 10.3.1 Basic Concept 237 10.3.2 Optical Absorption 238 10.3.3 Optical Reflection 240 10.4 Heat Transfer Theory 240 References 245 11 Laser Ignition – Practical Considerations 247 11.1 Introduction 247 11.1.1 Laser Source 248 11.1.2 Beam Delivery System 249 11.2 Laser Driven Flyer Plate 249 11.3 Direct Laser Ignition 250 11.3.1 Explosives 251 11.3.2 Propellants 259 11.3.3 LI of Pyrotechnic Materials 263 References 267 12 Conclusions and Future Prospect 269 12.1 Introduction 269 12.2 Theoretical Considerations 269 12.3 Lasers 270 12.4 Optical and Thermal Properties of Energetic Materials 271 12.5 State of the Art: Laser Ignition 271 12.6 Future Prospect 272 References 274 Index 275

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Book SynopsisPharmaceutical Emulsions: A Drug Developer's Toolbag covers all the key aspects of pharmaceutical emulsions, starting from the fundamental scientific basics, to the pharmaceutical forms and the chemical tests for its application.Table of ContentsMathematical symbols (with normal units) xi Acronyms and abbreviations xiii Preface xv Acknowledgements xvii About the companion website xix I Product considerations: medicinal formulations 1 1 Historical perspective 5 1.1 Landmarks 5 1.2 Significant discoveries 7 1.3 Difficulties 8 1.4 Traditional uses 10 1.5 Product regulation 13 2 What is an emulsion? 15 2.1 States of matter 24 2.2 Summary thermodynamics 34 2.3 Interfacial tension and wetting 36 2.4 Shear and size reduction 46 2.5 Raw materials 47 3 Stability, metastability and instability 49 3.1 Stokes’ law 51 3.2 Derjaguin–Landau–Verwey–Overbeek (DLVO) theory 52 3.3 Interfacial rheology 56 4 Manufacture 63 4.1 Premixing 63 4.2 High-shear mixers and size reduction 64 4.3 Multiple and microemulsions 65 4.4 Hot melt (steriles) 65 4.5 Filling 66 II Forms, uses and applications: biopharmaceutics 67 5 Creams and ointments 69 5.1 Nutraceuticals and cosmeceuticals 71 5.2 Medicinals 71 6 Pastes and bases 77 6.1 Emolliency 77 6.2 Suppositories 78 6.3 Pessaries 79 7 IV colloids 81 7.1 Needle free 86 7.2 Ocular therapy 87 7.3 Cancer 88 7.4 Antimicrobials 90 7.5 Temperature-sensitive matrices and release forms 93 7.6 Targeted endosomal use 94 7.7 Solid lipid nanoparticles 95 7.8 Diagnostic emulsions 98 8 Transdermal patches: semisolids 99 8.1 Hormones 104 8.2 Analgesia 104 8.3 Anaesthesia 104 8.4 Nicotine 105 8.5 Inserts: vaginal rings 105 9 Gels 107 9.1 Micro- and nanogels 107 9.2 Semisolids 107 10 Implants 109 10.1 Plastics and glasses 109 10.2 Thermoresponsive materials 110 11 De novo science, sustainable novel products and platform applications 111 11.1 Tablets 113 11.2 Metered-dose inhalers 113 11.3 Blood substitutes 114 III Tests: chemistry to control the quality, efficacy and fitness for purpose of a product 117 12 Physicochemical properties 119 12.1 Thermal evaluation (differential scanning calorimetry) and lipid polymorphs 124 12.2 Drug form, log P and Lipinski rules 129 12.3 Skin and epithelial models 133 12.4 Drug delivery routes 134 13 Sizing and microscopy 137 13.1 ζ -potential 137 13.2 Hydrodynamic diameter 139 14 Rheology, texture, consistency and spreadability 141 14.1 Bulk properties 141 14.2 Solid-state and nanorheological properties 144 14.3 Interfacial properties 144 15 Quality control, process analytical technology and accelerated testing 149 15.1 Preformulation, high-throughput screening 150 15.2 Industrial concerns 151 15.3 Rancimat and other methods 152 Questions 155 Guide for readers 155 Specimen 'test' questions 155 Answers 168 References 173 Index 181

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Book SynopsisChitosan is a linear polysaccharide commercially produced by the deacetylation of chitin. It is non-toxic, biodegradable, biocompatible, and acts as a bioadhesive with otherwise unstable biomolecules - making it a valuable component in the formulation of biopharmaceutical drugs. Chitosan-Based Systems for Biopharmaceuticals provides an extensive overview of the application of chitosan and its derivatives in the development and optimisation of biopharmaceuticals. The book is divided in four different parts. Part I discusses general aspects of chitosan and its derivatives, with particular emphasis on issues related to the development of biopharmaceutical chitosan-based systems. Part II deals with the use of chitosan and derivatives in the formulation and delivery of biopharmaceuticals, and focuses on the synergistic effects between chitosan and this particular subset of pharmaceuticals. Part III discusses specific applications of chitosan and its derivatives for biopharmaceutiTable of ContentsList of Contributors xvii Foreword xxiii Marıa Jose Alonso Preface xxv Acknowledgments xxvii Part One General Aspects of Chitosan 1 1 Chemical and Technological Advances in Chitins and Chitosans Useful for the Formulation of Biopharmaceuticals 3 Riccardo A. A. Muzzarelli 1.1 Introduction 3 1.2 Safety of Chitins and Chitosans 4 1.3 Ionic Liquids: New Solvents and Reaction Media 5 1.4 Chitin and Chitosan Nanofibrils 8 1.5 Electrospun Nanofibers 10 1.6 Polyelectrolyte Complexes and Mucoadhesion 12 1.7 Conclusions and Future Perspectives 16 2 Physical Properties of Chitosan and Derivatives in Sol and Gel States 23 Marguerite Rinaudo 2.1 Introduction 23 2.2 Chitin 24 2.3 Chitosan 28 2.4 Conclusions and Future Perspectives 36 3 Absorption Promotion Properties of Chitosan and Derivatives 45 Akira Yamamoto 3.1 Introduction 45 3.2 Effect of Chitosan on the Intestinal Absorption of Poorly Absorbable Drugs 47 3.3 Effect of Chitosan Derivatives on the Intestinal Absorption of Poorly Absorbable Drugs 47 3.4 Effect of Chitosan Oligomers on the Intestinal Absorption of Poorly Absorbable Drugs 48 3.5 Colon-Specific Delivery of Insulin Using Chitosan Capsules 51 3.6 Conclusions and Future Perspectives 54 4 Biocompatibility and Biodegradation of Chitosan and Derivatives 57 Ahmad Sukari Halim, Lim Chin Keong, Ismail Zainol, and Ahmad Hazri Abdul Rashid 4.1 Introduction 57 4.2 Biocompatibility Evaluation of Chitosan and Derivatives 58 4.3 Biodegradation of Chitosan and Derivatives 65 4.4 Conclusions and Future Perspectives 69 5 Biological and Pharmacological Activity of Chitosan and Derivatives 75 Teresa Cunha, Branca Teixeira, Barbara Santos, Marlene Almeida, Gustavo Dias, and Jose das Neves 5.1 Introduction 75 5.2 Biological Activity 76 5.3 Chitosan's Usefulness in Therapy and Alternative Medicine 82 5.4 Conclusions and Future Perspectives 84 6 Biological, Chemical, and Physical Compatibility of Chitosan and Biopharmaceuticals 93 Masayuki Ishihara, Masanori Fujita, Satoko Kishimoto, Hidemi Hattori, and Yasuhiro Kanatani 6.1 Introduction 93 6.2 Structural Features of Chitosan and Its Derivatives 94 6.3 Biocompatibility for Chitosan and Its Derivatives 95 6.4 Biocompatibility of Photo-Cross-Linkable Chitosan Hydrogel 98 6.5 Physical and Chemical Compatibility of Chitosan and Its Derivatives 100 6.6 Conclusions and Future Perspectives 102 7 Approaches for Functional Modification or Cross-Linking of Chitosan 107 A. Anitha, N. Sanoj Rejinold, Joel D. Bumgardner, Shanti V. Nair, and Rangasamy Jayakumar 7.1 Introduction 107 7.2 General Awareness of Chitosan Cross-Linking Methods 108 7.3 Modified Chitosan: Synthesis and Characterization 112 7.4 Applications of Modified Chitosan and Its Derivatives in Drug Delivery 118 7.5 Conclusions and Future Perspectives 118 Part Two Biopharmaceuticals Formulation and Delivery Aspects Using Chitosan and Derivatives 125 8 Use of Chitosan and Derivatives in Conventional Biopharmaceutical Dosage Forms Formulation 127 Teofilo Vasconcelos, Pedro Barrocas, and Rui Cerdeira 8.1 Introduction 127 8.2 Advantageous Properties of Chitosan and Its Derivatives 128 8.3 Oral Administration 129 8.4 Buccal Administration 131 8.5 Nasal Administration 132 8.6 Pulmonary Administration 132 8.7 Transdermal Administration 133 8.8 Conclusions and Future Perspectives 133 9 Manufacture Techniques of Chitosan-Based Microparticles and Nanoparticles for Biopharmaceuticals 137 Franca Ferrari, M. Cristina Bonferoni, Silvia Rossi, Giuseppina Sandri, and Carla M. Caramella 9.1 Introduction 137 9.2 Water-in-Oil Emulsion and Chemical Cross-linking 138 9.3 Drying Techniques 141 9.4 Ionic Cross-linking Methods 144 9.5 Coacervation and Precipitation Method 151 9.6 Direct Interaction between Chitosan and Biopharmaceuticals 152 9.7 Conclusions and Future Perspectives 153 10 Chitosan and Derivatives for Biopharmaceutical Use: Mucoadhesive Properties 159 Katharina Leithner and Andreas Bernkop-Schnurch 10.1 Introduction 159 10.2 Mucoadhesion 160 10.3 Chitosan and Its Derivatives 161 10.4 Biopharmaceutical Use of Chitosan and Its Derivatives 171 10.5 Conclusions and Future Perspectives 175 11 Chitosan-Based Systems for Mucosal Delivery of Biopharmaceuticals 181 Sonia Al-Qadi, Ana Grenha, and Carmen Remunan-Lopez 11.1 Introduction 181 11.2 Important Challenges for the Delivery of Biopharmaceuticals by Mucosal Routes 182 11.3 Interest in Chitosan for Mucosal Delivery of Biopharmaceuticals 184 11.4 Chitosan-Based Delivery Nanosystems for Mucosal Delivery of Biopharmaceuticals 188 11.5 Conclusions and Future Perspectives 200 12 Chitosan-Based Delivery Systems for Mucosal Vaccination 211 Gerrit Borchard, Farnaz Esmaeili, and Simon Heuking 12.1 Introduction 211 12.2 Adjuvant Properties of Chitosan 212 12.3 Chitosan in the Delivery of Protein and Subunit Vaccines 213 12.4 Chitosan-Based Formulations of DNAVaccines 215 12.5 Vaccine Formulations Using Chitosan in Combination with Other Polymers 216 12.6 Chitosan Derivatives in Vaccine Carrier Design 217 12.7 Conclusions and Future Perspectives 220 13 Chitosan-Based Nanoparticulates for Oral Delivery of Biopharmaceuticals 225 Filipa Antunes, Fernanda Andrade, and Bruno Sarmento 13.1 Introduction 225 13.2 Challenges on the Oral Delivery of Therapeutic Proteins 226 13.3 Challenges on the Oral Delivery of Genetic Material 227 13.4 Role of Chitosan in the Protection of Biopharmaceuticals in the Gastrointestinal Tract 229 13.5 Chitosan-Based Nanoparticles for Oral Delivery of Therapeutic Proteins 232 13.6 Chitosan-Based Nanoparticles for Oral Delivery of Genetic Material 234 13.7 Conclusions and Future Perspectives 236 14 Chitosan-Based Systems for Ocular Delivery of Biopharmaceuticals 243 Suresh P. Vyas, Rishi Paliwal, and Shivani Rai Paliwal 14.1 Introduction 243 14.2 Ocular Delivery of Biopharmaceuticals 244 14.3 Chitosan: A Suitable Biomaterial for Ocular Therapeutics 244 14.4 Chitosan-Based Systems for Ocular Delivery of Biomacromolecules 245 14.5 Toxicological and Compatibility Aspects of Chitosan-Based Ocular Systems 249 14.6 Conclusions and Future Perspectives 250 15 Chemical Modification of Chitosan for Delivery of DNA and siRNA 255 You-Kyoung Kim, Hu-Lin Jiang, Ding-Ding Guo, Yun-Jaie Choi, Myung-Haing Cho, Toshihiro Akaike, and Chong-Su Cho 15.1 Introduction 255 15.2 Hydrophilic Modification 256 15.3 Hydrophobic Modification 257 15.4 Specific Ligand Modification 259 15.5 pH-Sensitive Modification 264 15.6 Conclusions and Future Perspectives 269 Part Three Advanced Application of Chitosan and Derivatives for Biopharmaceuticals 275 16 Target-Specific Chitosan-Based Nanoparticle Systems for Nucleic Acid Delivery 277 Shardool Jain and Mansoor Amiji 16.1 Introduction 277 16.2 Chitosan-Based Nanoparticle Delivery Systems 283 16.3 Illustrative Examples of DNAVaccine Delivery 286 16.4 Illustrative Examples of Nucleic Acid Delivery Systems for Cancer Therapy 288 16.5 Illustrative Examples of Nucleic Acid Delivery Systems for Anti-Inflammatory Therapy 291 16.6 Conclusions and Future Perspectives 294 17 Functional PEGylated Chitosan Systems for Biopharmaceuticals 301 Hee-Jeong Cho, Goen Kim, Hyeok-Seung Kwon, and Yu-Kyoung Oh 17.1 Introduction 301 17.2 PEGylated Chitosan for the Delivery of Proteins and Peptides 304 17.3 PEGylated Chitosan for Delivery of Nucleic Acids 308 17.4 PEGylated Chitosan for Delivery of Other Macromolecular Biopharmaceuticals 311 17.5 PEGylated Chitosan Used for Cellular Scaffolds 313 17.6 Conclusions and Future Perspectives 313 18 Stimuli-Sensitive Chitosan-Based Systems for Biopharmaceuticals 319 Cuiping Zhai, Jinfang Yuan, and Qingyu Gao 18.1 Introduction 319 18.2 pH-Sensitive Chitosan-Based Systems 319 18.3 Thermosensitive Chitosan-Based Systems 321 18.4 pH-Sensitive and Thermosensitive Chitosan-Based Systems 323 18.5 pH- and Ionic-Sensitive Chitosan-Based Systems 325 18.6 Photo-Sensitive Chitosan-Based Systems 325 18.7 Electrical-Sensitive Chitosan-Based Systems 326 18.8 Magnetic-Sensitive Chitosan-Based Systems 326 18.9 Chemical Substance-Sensitive Chitosan-Based Systems 327 18.10 Conclusions and Future Perspectives 327 19 Chitosan Copolymers for Biopharmaceuticals 333 Ramon Novoa-Carballal, Ricardo Riguera, and Eduardo Fernandez-Megia 19.1 Introduction 333 19.2 Chitosan-g-Poly(Ethylene Glycol) 337 19.3 Chitosan-g-Polyethylenimine 347 19.4 Other Copolymers of Chitosan 357 19.5 Copolymers of Chitosan with Promising Applications 363 19.6 Conclusions and Future Perspectives 368 20 Application of Chitosan for Anticancer Biopharmaceutical Delivery 381 Claudia Philippi, Brigitta Loretz, Ulrich F. Schaefer, and Claus-Michael Lehr 20.1 Introduction 381 20.2 Chitosan and Cancer: Intrinsic Antitumor Activity of the Polymer Itself 382 20.3 Chitosan Formulations Developed for Classic Anticancer Drugs 383 20.4 Biopharmaceuticals Delivered by Chitosan Preparations 384 20.5 Active Targeting Strategies and Multifunctional Chitosan Formulations 388 20.6 Conclusions and Future Perspectives 389 21 Chitosan-Based Biopharmaceutical Scaffolds in Tissue Engineering and Regenerative Medicine 393 Tao Jiang, Meng Deng, Wafa I. Abdel- Fattah, and Cato T. Laurencin 21.1 Introduction 393 21.2 Fabrication of Chitosan-Based Biopharmaceuticals Scaffolds 395 21.3 Applications of Chitosan-Based Biopharmaceutical Scaffolds in Tissue Engineering and Regenerative Medicine 403 21.4 Future Trends: Regenerative Engineering 416 21.5 Conclusions and Future Perspectives 417 22 Wound-Healing Properties of Chitosan and Its Use in Wound Dressing Biopharmaceuticals 429 Tyler G. St. Denis, Tianhong Dai, Ying-Ying Huang, and Michael R. Hamblin 22.1 Introduction 429 22.2 Brief Review of Wound Repair 430 22.3 Wound-Healing Effects of Chitosan 433 22.4 Chitosan for Wound Therapeutics Delivery 440 22.5 Conclusions and Future Perspectives 444 Part Four Regulatory Status, Toxicological Issues, and Clinical Perspectives 451 23 Toxicological Properties of Chitosan and Derivatives for Biopharmaceutical Applications 453 Thomas J. Kean and Maya Thanou 23.1 Introduction 453 23.2 In Vitro Toxicity of Chitosan and Derivatives 454 23.3 In Vivo Toxicity of Chitosan and Derivatives 457 23.4 Conclusions and Future Perspectives 459 24 Regulatory Status of Chitosan and Derivatives 463 Michael Dornish, David S. Kaplan, and Sambasiva R. Arepalli 24.1 Introduction 463 24.2 Source 464 24.3 Characterization 464 24.4 Purity 465 24.5 Applications of Advanced Uses of Chitosan 466 24.6 Regulatory Considerations for Chitosan and Chitosan Derivatives in the European Union, and Medical Devices or Combination Products with Medical Device (CDRH) Lead 468 24.7 Regulatory Pathways 469 24.8 Chitosan Medical Products: US Regulatory Review Processes for Medical Devices or Combination Products with CDRH Lead 469 24.9 Chitosan Wound Dressings 470 24.10 The European Regulatory System: The European Medicines Agency (EMA) and European Directorate for the Quality of Medicines (EDQM) 474 24.11 Further Regulatory Considerations 475 24.12 Conclusions and Future Perspectives 477 24.13 Disclaimer 478 25 Patentability and Intellectual Property Issues Related to Chitosan-Based Biopharmaceutical Products 483 Mafalda Videira and Rogerio Gaspar 25.1 Introduction 483 25.2 Setting the Scene: The Role of Chitosan as a Pharmaceutical Excipient 484 25.3 Addressing the Drivers for Scientific Progress on Chitosan: Innovation and Inventability 495 25.4 Conclusions and Future Perspectives 496 26 Quality Control and Good Manufacturing Practice (GMP) for Chitosan-Based Biopharmaceutical Products 503 Torsten Richter, Maika Gulich, and Katja Richter 26.1 Introduction 504 26.2 Regulatory Requirements for Production 505 26.3 Manufacturing GMP: Fundamental Considerations 508 26.4 Requirements for Rooms, Personnel, and Equipment 511 26.5 Qualification and Validation 511 26.6 Quality Control 513 26.7 Monitoring and Maintenance of a GMP System 519 26.8 Conclusions and Future Perspectives 522 27 Preclinical and Clinical Use of Chitosan and Derivatives for Biopharmaceuticals: From Preclinical Research to the Bedside 525 David A. Zaharoff, Michael Heffernan, Jonathan Fallon, and John W. Greiner 27.1 Introduction 525 27.2 Chitosan as a Parenteral (Subcutaneous) Vaccine Platform 526 27.3 Chitosan as an Immunotherapeutic Platform 530 27.4 Conclusions and Future Perspectives 537 References 539 Index 543

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Book SynopsisThe inclusion of small guest molecules within suitable host compounds results in constrained systems that imbue novel properties upon the incarcerated organic substrates. Supramolecular tactics are becoming widely employed and this treatise spotlights them. Often, the impact of encapsulation on product formation is substantial. The use of constrained systems offers the means to steer reactions along desired pathways. A broad overview of various supramolecular approaches aimed to manipulate chemical reactions are featured. The following topics are covered in detail: - general concepts governing the assembly of the substrate with the reaction vessel - preparation of molecular reactors - stabilization of reactive intermediates - reactions in water, in organic solvents, and in the solid state - photochemical reactions - reactions with unusual regioselectivity Molecular Encapsulation: Organic Reactions in Constrained Systems is an Trade Review"The book has a broad scope and serves its purpose very well for everyone who is interested in the preparation of molecular reactors, the stabilization of reactive intermediates, reactions of unusual regioselectivity, confined photochemical reactions, or supramolecularly enhanced reactions in water, organic solvents, or the solid state. Thus, the book is well suited both for beginners and for experts, and it is an essential addition to the bookshelf of a supramolecular chemist." (Angewandte Chemie, 1 February 2011) Table of ContentsPreface page. List of Contributors. 1 Reaction Control by Molecular Recognition – A Survey from the Photochemical Perspective (Cheng Yang, Chenfeng Ke, Yu Liu, and Yoshihisa Inoue). 1.1 Introduction. 1.2 Photochemical Reactions Mediated by Macrocyclic Compounds. 1.3 Photochemical Reactions with Biomolecules. 1.4 Photochemical Reactions with Confined Cages Based on Inorganic and Organic–Inorganic Hybrid Materials. 1.5 Photochemical Reactions with other Artificial Hosts. 1.6 Photoreaction Control by External Variants. 1.7 Conclusions. 2 Cyclodextrins (Ronald Breslow). 2.1 Introduction. 2.2 Acylations of the Cyclodextrins by Bound Substrates. 2.3 Catalytic Reactions in Cyclodextrin Cavities: Aromatic Substitution. 2.4 Other Solvents than Water. 2.5 Catalytic Reactions Produced by Cyclodextrins With Covalently Attached Catalytic Groups. 2.6 Binding by Cyclodextrins and their Dimers and Trimers. 2.7 Mimics of Enzymes that Use Thiamine Pyrophosphate as a Co-Enzyme. 2.8 Aldol Condensations Catalysed by Cyclodextrin Derivatives. 2.9 Mimics of Enzymes Using Coenzyme B12 as a Cofactor. 2.10 Mimics of Cytochrome P-450. 3 Cyclodextrins as Molecular Reactors (Christopher J. Easton and Hideki Onagi). 3.1 Introduction. 3.2 Regiocontrolled Electrophilic Aromatic Substitutions. 3.3 Catalysis of Hydrolytic Reactions. 3.4 A Molecular Reactor for the Synthesis of Indigoid Dyes. 3.5 Manipulation of Cycloadditions. 3.6 Conclusion. 4 Reactions Mediated by Cyclodextrins (Keiko Takahashi). 4.1 Introduction. 4.2 The Inclusion Phenomena of Cyclodextrins. 4.3 Origin of Microvessels as Molecular Flasks. 4.4 Organic Reactions Mediated by CD in Water. 4.5 Conclusion. 5 Reactions in Zeolites (Stéphane Walspurger and Jean Sommer). 5.1 The Confi nement Effect. 5.2 Superelectrophilic Activation in Zeolites. 5.3 Huisgen [3+2]-Cycloadditions. 5.4 Multicomponent Reactions. 5.5 Conclusion. 6 Chemistry in Self-Assembled Nanoreactors (Jarl Ivar van der Vlugt, Tehila S. Koblenz, Jeroen Wassenaar, and Joost N. H. Reek). 6.1 Introduction. 6.2 Self-Assembled Nanocapsules. 6.3 Encapsulation Effects in Catalysis. 6.4 Hydrogen Bonded Capsules. 6.5 Capsules Based on Metal–Ligand Interactions. 6.6 Tetrahedral Cages Based on Octahedral M3+ Ions. 6.7 Octahedral and Square Pyramidal Cages Based on Square-Planar M2+ Ions. 6.8 Hydrophobic Effects as the Driving Force for the Self-Assembly of Nanocapsules. 6.9 Ligand Template Approach Using Lewis Acid/Base Interactions. 6.10 Virus Capsids, Proteins and Micellar Systems. 6.11 Micellar Systems. 6.12 Conclusions and Outlook. 7 Concave Reagents (Ulrich Lüning). 7.1 Introduction. 7.2 Classes of Concave Reagents. 7.3 Reactions and Catalyses. 7.4 Summary and Outlook. 8 Reactivity Control by Calixarenes (Luigi Mandolini, Roberta Cacciapaglia, and Stefano Di Stefano). 8.1 Introduction. 8.2 Calixarenes as Hosts. 8.3 Calixarenes as Molecular Platforms. 8.4 Concluding Remarks. 9 Reactions Inside Carcerands (Ralf Warmuth). 9.1 Introduction. 9.2 Types of Inner Phase Reactions. 9.3 Probing the Properties of the Inner Phase. 9.4 Through-Shell Reactions. 9.5 Intramolecular Thermal Reactions. 9.6 Inner Phase Photochemistry. 9.7 Conclusions and Outlook. 10 Encapsulation of Reactive Intermediates (Jean-Luc Mieusset and Udo H. Brinker). 10.1 Introduction. 10.2 Encapsulation of Labile Species. 10.3 Isolation of Non-covalently Bonded Aggregates. 10.4 Inclusion of Reactive Intermediates. 11 Dye Encapsulation (Jeremiah J. Gassensmith, Easwaran Arunkumar, and Bradley D. Smith). 11.1 Introduction. 11.2 Reversible Dye Encapsulation Inside Organic Container Molecules. 11.3 Reversible Dye Encapsulation by Biological Receptors. 11.4 Permanent Dye Encapsulation Inside Rotaxanes. 11.5 Permanent Encapsulation Inside Inorganic Matrices. 11.6 Conclusion. 12 Organic Cations in Constrained Systems (Werner Abraham and Lutz Grubert). 12.1 Introduction. 12.2 Host–guest Complexes with Organic Cations. 12.3 Extended Hosts and Capsules. 12.4 Cucurbiturils. 12.5 Complex Systems and Applications. 12.6 Conclusions. 13 Proteins as Host for Enantioselective Catalysis: Artificial Metalloenzymes Based on the Biotin–Streptavidin Technology (Jincheng Mao and Thomas R. Ward). 13.1 Introduction. 13.2 The Biotin–Avidin Technology. 13.3 Artifi cial Hydrogenases. 13.4 Artifi cial Allylic Alkylases. 13.5 Artifi cial Transfer Hydrogenase. 13.6 Enantioselective Sulfoxidation Based on Vanadyl-loaded Streptavidin 372 13.7 Conclusions and Outlook. 14 Chemical Reactions with RNA and DNA Enzymes (Andres Jäschke). 14.1 Introduction. 14.2 Catalysis by Naturally Occurring Ribozymes. 14.3 How to Generate Artifi cial RNA and DNA Catalysts. 14.4 The Catalytic Spectrum of Artifi cial Ribozymes. 14.5 Deoxyribozymes – DNA Molecules with Catalytic Properties. 14.6 Catalysis of C−C Bond Formation by Diels–Alderase Ribozymes. 14.7 Conclusion. 15 Reactions in Supramolecular Systems (Lucia Zakharova, Alla Mirgorodskaya, Elena Zhiltsova, Ludmila Kudryavtseva, and Alexander Konovalov). 15.1 Introduction. 15.2 The Single Micellar Systems: Factors of Concentration and Micellar Microenvironment. 15.3 The Role of the Structural Factor in Supramolecular Catalytic Systems. 15.4 Binary Surfactant Systems. 15.5 Polycomponent Catalytic Systems Based on Amphiphiles and Polymers. 15.6 Conclusions. 16 Encapsulation Processes by Bilayer Vesicles (Marc C. A. Stuart and Jan B. F. N. Engberts). 16.1 Introduction. 16.2 Catalysis by Vesicles. Encapsulation of Reactants. 16.3 Liposomal Encapsulation in Drug Delivery. 16.4 Vesicle–Nucleic Acid Interactions: Gene Transfer Using Lipoplexes. 17 Reactions in Liposomes (Pasquale Stano and Pier Luigi Luisi). 17.1 Introduction. 17.2 Lipid Vesicles (Liposomes). 17.3 Experimental Strategies and Theoretical Aspects. 17.4 A Theoretical Framework for Complex Reactions in Liposomes. 17.5 Four Cases of Compartmentalized Reactions. 17.6 Conclusion. Acknowledgements. Abbreviations. References. Index.

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Book SynopsisPart of an exhaustive series which reviews progress in the field, this volume contains papers on the new biology of adenosine receptors, glutathione s-transferases, regulation of cholesteryl ester hydrolases, microtubule dynamics and more.Table of ContentsGlutathione S-Transferases: Structure and Mechanism of anArchetypical Detoxication Enzyme (R. Armstrong). Regulation of Cholesteryl Ester Hydrolases (D. Hajjar). The New Biology of Adenosine Receptors (T. Palmer & G.Stiles). Microtubule Dynamics: Bioenergetics and Control (D. Purich & J.Angelastro). Expression of the -Crystallin/Small Heat-Shock Protein/MolecularChaperone Genes in the Lens and Other Tissues (C. Sax & J.Piatigorsky). Phosphoenolpyruvate Carboxykinase (GTP): The Gene and the Enzyme(R. Hanson & Y. Patel). Indexes.

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Book SynopsisTopics in Stereochemistry, Materials-Chirality provides comprehensive information on the stereochemistry of materials. Coverage includes the chirality of materials and the important role stereochemistry plays in the physical properties of polymers, liquid crystals, and other materials.Trade Review"…this volume represents a well-balanced assembly of research topics from which readers can gain valuable information…can be recommended to anyone wishing to explore an area of sterochemistry in any subject.” (Journal of Metals Online, September 1, 2004) "All chapters are very well written and review the corresponding sub-fields of chiral materials science. The book is highly recommended..." (Polymer News)Table of ContentsChirality of Catalysts for Stereospecific Polymerizations (Gaetano Guerra, et al.). Chain Conformation, Crystal Structures, and Structural Disorder in Stereoregular Polymers (Claudio De Rosa). Optically Active Polymers with Chiral Recognition Ability (Yoshio Okamoto, et al.). Chirality in the Polysilanes (Michiya Fujiki, et al.). Chiral Molecular Self-Assembly (Mark S. Spector, et al.). Chiral Discotic Molecules: Expression and Amplification of Chirality (L. Brunsveld, et al.). Some Correlations Between Molecular and Cholesteric Handedness (Giovanni Gottarelli and Gian Piero Spada). Ferroelectric Liquid Crystal Conglomerates (David M. Walba). Nonlinear Optics and Chirality (Thierry Verbiest and André Persoons). Subject Index. Cumulative Author Index, Volumes 1-24. Cumulative Title Index, Volumes 1-24.

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Book SynopsisA series of volumes composed of chapters devoted to important synthetic reactions. Each chapter in these volumes includes procedures illustrating the significant modifications of the chemical reaction as well as tables including pertinent examples.Table of ContentsSimmons-Smith Cyclopropanation Reaction (A. Charette & A. Beauchemin). Preparation and Applications of Functionalized Organozinc Compounds (P. Knochel, et al.). Cumulative Chapter Titles by Volume. Author Index, Volumes 1-58. Chapter and Topic Index, Volumes 1-58.

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Book SynopsisThe volumes in this continuing series provide a compilation of current techniques and ideas in inorganic synthetic chemistry. Includes inorganic polymer syntheses and preperation of important inorganic solidsd, sutheses used in the development of pharamacologically active inorganic compounds, small-molecule coordination complexes, and related compounds. Also contains calcuable information on transition organometallic compunds, including species with meta-metal cluster molecules. All syntheses presented here have been tested.Table of ContentsChapter One MAIN GROUP COMPOUNDS. 1. Volatile-² Diketonate Complexes of Calcium(II), Strontium(II), and Barium(II). 2. Bis(1,1,1,3,3,3-hexamethyldisilazanato) bis(tetrahydrofuran)-barium. 3. Ammonium and Barium Salts of the Tris- [1,2-benzenediolate(2-)-O,O']titanium(IV) Dianion. 4. N-Donor Adducts of Dimethylzinc. 5. Arene Chalcogenolato Complexes of Zinc and Cadmium. 6. Arene Thiolato, Selenolato, and Tellurolato Complexes of Mercury. 7. Electronic Grade Alkyls of Group 12 and 13 Elements. 8. Trimethylindium and Trimethylgallium. 9. (N,N-dimethylethanamine) trihydridoafuminum. 10. Tertiary Amine and Phosphine Adducts of Gallium Trihydride. 11. trans-1,1-Di-tert-butyl-2,3-dimethylsilane and 2,2-Di-tert-butyl 1,1,1-triethyldisilane. 12. Tin(II) Sulfide and Tin(II) Selenide. 13. Tin(IV) Fluoride (Tetrafluorostannane). 14. N,N,N'-Tris(trimethylsilyl) Amidines. 15. Homoleptic Bismuth Amides. 16. Cyclo-tetrasulfur(2+) Bis[hexafluoroarsenate(1-)], Cyclo-tetrasulfur(2+)Bis[undecafluorodiantimonate(1-)], Cyclo-tetraselenium(2+)Bis[hexafluroarsenate(1-)] and Cyclo-tetraselenium(2+) Bis[undecafluorodiantimonate(1-)]. 17. Fe2(S2)(CO)6, and Fe3Te2(CO)9,10. Chapter Two LIGANDS AND REAGENTS. 18. 5,10,15,20-Tetrakis (2,6-dihydroxyphenyl) -21H,23H-porphine. 19. Tribenzocycline (TBC) and Tetrabenzocyclyne (QBC). 20. (Chloromethylene)bis[trimethylsilane] [Bis(trimethylsilyl)chloromethane]. 21. S,S-Chiraphos [(S,S)-(-)-(1,2-Dimethyl-1,2-ethandiyl) bis-(diphenylphosphine)]. 22. ²-Ketophosphines: Ligands of Catalytic Relevance. 23. N,N-Diisobutyl-2-(octylphenylphosphinyl) acetamide (CMPO). 24. Aresenic(III) Chloride. 25. Tris(trimethylsilyl)arsine and Lithium Bis(trimethylsilyl)arsenide. 26. Sterically Hindered Arene Chalcogenols. 27. Tris(trimethylsilyl)silyl Lithium Tris(tetrahydrofuran), Lithium Tris(trimethylsilyl)silyltellurolate Bis(tetrahydrofuran), and Tris(trimethylsilyl)silyltellurol. 28. Metal Complexes of the Lacunary Heteropolytungstates [B-±-PW9O34]9- and [±-P2W15O56]12-. 29. Polyoxoanion-Supported, Atomically Dispersed Iridium(I) and Rhodium(I). Chapter Three ORGANOMETALLIC COMPOUNDS. 30. One-Pot Synthesis of Dicarbonyltris(phosphine)iron(0) Complexes from Pentacarbonyliron. 31. Tricarbonylbis(phosphine)iron(0) Complexes. 32. (·5-Pentamethylcyclopentadienyl) (·5-cyclopentadienyl)iron [1,2,3,4,5-pentamethylferrocene]. 33. Pyrazolate-Bridged Ruthenium(I) Carbonyl Complexes. 34. Main Group-Transition Metal Carbonyl Complexes. 35. MnII4(1/44-O)[(CO)9Co3(1/43-CCO2)]6, M = Co, Zn. 36. 1,2,3,4-Tetramethyl-5-(trifluoromethyl)cyclopentadiene (Cp+ H) and Di-1/4-Chlorodichlorobis [·5-tetramethyl- (Trifluoromethyl)Cyclopentadienyl] Dirhodium(III). 37. Acetonitrile-Substituted Derivatives of Rh6(CO)16: Rh6(CO)16-x(NCMe)x(x = 1, 2). 38. Tetraphenylarsonium Carbonyltrichloroplatinate(II). Chapter Four TRANSITION METAL, LANTHANIDE, AND ACTINIDE COMPLEXES. 39. Dichlordioxobis(dimethyl sulphoxide)molybdenum(VI). 40. Metal-Catalyzed Synthesis of cis-[Re(CO)4,LI] [L = P(OMe)3, PMe2Ph, PPh3]. 41. Tris(l,2-bis(dimethylphosphino) ethane)rhenium(1) Trifluoromethanesulfonate, [Re(DMPE)3[CF3SO3]. 42. Tetrahalo Oxorhenate Anions. 43. A Rhenium(I) Dinitrogen Complex Containing a Tertiary Phosphine. 44. Bis(2,4-pentanedionato)iron(II) [Iron(II)Bis(acetylacetonate)]. 45. Synthesis of trans-Tetraammined.ichlorocobalt(III)Chloride. 46. [[3,3'-(1,3-Propanediyldiimino) bis[3-methy-2-butanone]- dioximatel(1-)-N,N',N'',N''']nickel(II), Nioyl. 47. Platinum Complexes Suitable as Precursors for Synthesis in Nonaqueous Solvents. 48. Tetrakis(propanenitrile)platinum(II)Trifluoromethanesulfonate as a Suitable Intermediate in Synthetic Pt(II) Chemistry. 49. [(1,2,5,6-·)-1,5-Cyclooctadiene]dimethylplatinum(II). 50. Bis(2,2,6,6-tetramethyl-3,5 -heptanedionato)copper. 51. Lewis Base Adducts of 1,1,1,5,5,5 -Hexafluoro-2,4-pentadionato -Copper(I) Compounds. 52. Copper(II) Alkoxides. 53. Pyrazolato Copper(I) Complexes. 54. Tris(2,2,6,6-tetramethyl -3,5-heptanedionato) Yttrium. 55. Lewis Base Adducts of Uranium Triiodide and Tris[bis(trimethylsilyl)amido] uranium. Contributor Index. Subject Index. Formula Index. Chemical Abstracts Service Registry Number Index.

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Book Synopsis

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Book Synopsis

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Book Synopsis

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Book SynopsisA fresh and comprehensive overview of ecotoxicology today This book provides comprehensive single-source coverage of the entire field of ecotoxicology, from the ecological basics to the effects of chemicals on the environment and the latest test strategies. Contributions by leading figures in ecotoxicology from around the world reflect the broad scope of current thinking and research, making this volume essential reading for informed professionals and students. Areas covered include: * Ecosystem sensitivity, principles for analysis, and other fundamentals * Fate, distribution, and speciation of chemicals in the environment * Bioaccumulation and effects of chemicals * Ecotoxicological test systems * Concepts of ecological risk assessment Incorporating numerous examples and case studies, this cutting-edge reference is an invaluable resource for those working in environmental toxicology, chemistry, ecology, medicine, engineering, and other reTable of ContentsPartial table of contents: HISTORICAL INTRODUCTION AND ECOLOGICAL FUNDAMENTALS. Ecotoxicological Research-Historical Development and Perspectives (S. Jørgensen). Sensitivity of Ecosystems and Ecotones (O. Fränzle). Community Ecology and Population Interactions in Freshwater Systems (B. Streit). CHEMICALS IN THE ENVIRONMENT. Speciation of Chemical Elements in the Environment (R. Wilken). Abiotic Transformation Reactions (E. Weber). Ecochemistry of Toxaphene (M Coelhan & H. Parlar). BIOACCUMULATION AND BIOLOGICAL EFFECTS OF CHEMICALS. Bioaccumulation of Chemicals by Aquatic Organisms (D. Connell). Process-Oriented Descriptions of Toxic Effects (S. Kooijman). Effects of Pollutants on Soil Invertebrates: Links between Levels (J. Weeks). CONTRIBUTIONS TO AN ECOLOGICAL RISK ASSESSMENT. Current and Future Test Strategies in Terrestrial Ecotoxicology (R. Debus). Legislative Perspective in Ecological Risk Assessment (J. Ahlers & R. Diderich). Index.

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Book SynopsisSince the early 1990s, research and discovery collaborations between biotechnology and pharmaceutical companies have increased to the point that they now provide more than half of the total capital invested in the biotechnology sector. Although smaller biotechnology companies may be engaged in only a few alliances at a time, some of the most active pharmaceutical players may be engaged in anywhere from thirty to forty alliances at once. Any single alliance relationship may be the lifeblood for a small biotechnology company, while the same relationship may be just one of many for the pharmaceutical partner. Research alliances with small, close-to-the-science companies are the source of many of the innovative ideas of today and the future, but they present formidable challenges. Successful collaboration depends not only on the solution of scientific and technical problems, but also on the successful resolution of many leadership and organizational problems. Leading Biotechnology Trade Review"...a discussion of the business of biotechnology..." (Journal of Proteome Research, Vol. 1, No. 2, March, April 2002)Table of ContentsTROUBLE IN ALLIANCE LAND. A Case in Point: The Lucida-Pharma Alliance Cast of Characters. The General Case: Many Alliances, Many Problems. ASYMMETRIC RELATIONSHIPS, LOPSIDED RESPONSIBILITY. Contrasting Cultures. Partner Differences and Disparities. LAYING THE GROUNDWORK. Preparing the Organization. Individual and Organizational Due Diligence. The First Meetings. THE ALLIANCE LIFE CYCLE: LEADING DIFFERENTLY OVER TIME. To the First Milestone. Managing Growth and Maturity. Ending: Completion, or Termination. Readiness, Learning, and Alliance Effectiveness: A Road Map. If We Could Turn Back the Clock...(A Hypothetical Coda to the Lucida-Pharma Sciences Case).

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Book SynopsisThe volumes of Organic Reactions are collections of chapters each devoted to a single reaction, or a definite phase of a reaction, of wide applicability. The material is treated from a preparative viewpoint, with emphasis on limitations, interfering influences, effects of structure, and the selection of experimental techniques. Numerous detailed procedures illustrate the significant modifications of each method. Includes tables that contain all possible examples of the reaction under consideration.Table of ContentsFluorination by Sulfur Tetrafluorid (E G. A. Boswell, Jr., W. C.Ripka, R. M. Scribner, and C. W. Tullock. Modern Methods to Prepare Monofluoroaliphatic Compounds (Clay M.Sharts and William A. Sheppard). Author Index, Volumes 1 21 Chapter Index, Volumes 1 21 Subject Index, Volume 21

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Book SynopsisMinimizes the amount of chemicals used in the lab and resultant chemical waste. Introduces new experiments designed to reduce exposure to toxic materials, lab costs and environmental pollution. Covers basic chemical concepts as well as spectroscopy and solution, physical and inorganic chemistry.Table of ContentsPreface. Safety in the Laboratory. Numbers and Calculations. Laboratory Glassware and Experimental Techniques. Basic Concepts of Chemistry. Spectroscopy. Solution Chemistry. Physical Chemistry. Inorganic Chemistry. Inorganic Qualitative Analysis. Organic Chemistry. Appendix A: Safety Data for Common Solvents. Appendix B: List of Common Acids and Bases. Appendix C: Table of Physical and Chemical Constants. Appendix D: Table of Common Units and Conversion Factors. Appendix E: Standard Reduction Potentials, E°, Volts. Appendix F: Acid(K_a) and Base (K_b) Dissociation Constants. Appendix G: Solubility Product Constants at 25°C. Appendix H: General Solubility Rules for Ionic Compounds in Water. Appendix I: pH Ranges of Common Acid and Base Indicators. Glossary.

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Book SynopsisFree radical initiators-chemical molecules which easily decompose into free radicals-serve as reactive intermediates in synthetic methodologies such as organic and polymer synthesis as well as in technological processes, oligomerization, network formation, and kinetic research.Trade Review"…the aim of the handbook, which was to give relevant information regarding free radical initiation, initiators, and reactions involving radicals was achieved…" (Polymer News, 2004 Vol. 29) “...will be useful to all users of free-radical initiators...” (Angewandte Chemie International Edition, Vol. 43, 2004) "...a valuable resource..." (Polymer News)Table of ContentsPreface Symbols and Abbreviations. PART I: INITIATORS. Chapter 1. Mechanism of Decomposition of Initiators. 1.1 Introduction. 1.2 Nonconcerted Unimolecular Decomposition. 1.3 Concerted Fragmentation of Initiators. 1.4 Anchimerically Assisted Decomposition of Peroxides. 1.5 Decay of Initiators to Free Radicals and Molecular Products. 1.6 Chain Decomposition of Initiators. References. Chapter 2. Cage Effect. 2.1 Introduction. 2.2 Experimental Evidence for the Cage Effect. 2.3 Mechanistic Schemes of Cage Effect. 2.4 Cage Effect in Solid Polymers. References. Chapter 3. Methods of Study of Initiator Decomposition and Free Radical Generation. 3.1 Kinetic Decay of Initiator (KDI). 3.2 Kinetic Product Formation (KPF). 3.3 Acceptors of Free Radicals (AFR). 3.4 Kinetic Chain Initiated Reaction (KIR). 3.5 Chemiluminescence (CL) Method. References. Chapter 4. Dialkyl Peroxides and Hydroperoxides. 4.1 Dialkyl Peroxides. 4.2 Hydroperoxides and Peracids. References. Chapter 5. Diacyl Peroxides, Peroxy Esters, Polyatomic, and Organometallic Peroxides. 5.1 Diacyl Peroxides. 5.2 Peroxy Esters. 5.3 Decomposition of Polyatomic Peroxides. 5.4 Organometallic Peroxides. References. Chapter 6. Organic Polyoxides. 6.1 Dialkyl Trioxides. 6.2 Hydrotrioxides. 6.3 Tetroxides. References. Chapter 7. Azo Compounds. 7.1 Synthesis and Structure of Azo Compounds. 7.2 Thermochemistry of Azo Compounds. 7.3 Decomposition of Azo Compounds. References. Chapter 8. Compounds with Weak C-C, N-N, C-N and N-O Bonds. 8.1 Polyphenylhydrocarbons. 8.2 Substituted Hydrazines. 8.3 Alkoxyamines. 8.4 Nitro Compounds. 8.5 Nitrates and Nitrites. 8.6 Disulfides and Polysulfides. 8.7 Organometallic Compounds. References. PART II: BIMOLECULAR REACTIONS OF FREE RADICAL GENERATION. Chapter 9. Parabolic Model of Bimolecular Homolytic Reaction. 9.1 Introduction. 9.2 Principles for the Parabolic Model of Bimolecular Homolytic Reaction. 9.3 Parameters of Bimolecular Homolytic Reaction in the Parabolic Model. References. Chapter 10. Bimolecular and Trimolecular Reactions of Free Radical Generation by Dioxygen. 10.1 Reaction of Dioxygen with C-H Bonds of Organic Compounds. 10.2 Reaction of Dioxygen with the Double Bond of Olefins. 10.3 Trimolecular Reaction of Radical Initiation by Dioxygen. References. Chapter 11. Bimolecular Reactions of Free Radical Generation by Ozone. 11.1 Initiation of Radicals by Ozone Reactions. 11.2 Chain Reactions of Ozone Decomposition. References. Chapter 12. Bimolecular Reactions of Hydroperoxides with Free Radical Generation. 12.1 Bimolecular Decomposition of Hydroperoxides. 12.2 Bimolecular Reactions of Hydroperoxides with a π-Bond to Olefins. 12.3 Bimolecular Reactions of Hydroperoxides with C-H, N-H, and O-H Bonds of Organic Compounds. 12.4 Acid Catalysis for Homolytic Reactions of Hydroperoxides. 12.5 Reaction of Peroxides with Amines. References. Chapter 13. Free Radical Generation by Olefins. 13.1 Reactions of Retrodisproportionation. 13.2 Chain Initiation in Thermal Radical Polymerization. References. Chapter 14. Free Radicals Generation by Haloid Molecules and Nitrogen Dioxide. 14.1 Reactions of Fluorine Compounds. 14.2 Reactions of Dichlorine and Other Chlorine Compounds. 14.3 Initiation by Nitrogen Dioxide. References. Chapter 15. Free Radical Generation by Reactions of Ions with Molecules. 15.1 Decomposition of Hydrogen Peroxide Catalyzed by Transition Metal Ions. 15.2 Catalysis by Ions and Complexes of Transition Metals in Liquid-Phase Oxidation of Organic Compounds. 15.3 Reactions of Free Radicals with Transition Metal Ions. 15.4 Oxidation of Transition Metal Ions by Dioxygen. 15.5 Oxidation of Organic Compounds by Transition Metal Ions. 15.6 Reduction of Peroxides by Radical Anions. References. PART III: REACTIONS OF FREE RADICALS. Chapter 16. Isomerization and Decomposition of Free Radicals. 16.1 Intramolecular Abstraction of Hydrogen Atom. 16.2 Cyclization of Free Radicals. 16.3 Decyclization of Cyclic Radicals. 16.4 Fragmentation of Free Radicals. References. Chapter 17. Free Radical Abstraction Reactions. 17.1 Classification of Radical Abstraction Reactions. 17.2 Enthalpy of Reaction. 17.3 Force Constants of Reacting Bonds. 17.4 Triplet Repulsion. 17.5 Electron Affinity of Atoms in Reaction Center. 17.6 Repulsion of Atoms Forming the Reaction Center. 17.7 Influence of π-Bonds in the Vicinity of the Reaction Center. 17.8 Steric Effect. 17.9 Polar Effect in Radical Reactions. 17.10 Effect of Multidipole Interaction. 17.11 Solvating Effect. References. Chapter 18. Free Radical Reactions of Hydrogen Transfer and Substitution. 18.1 Reactions of Hydrogen Atom Transfer from a Free Radical to a Molecule. 18.2 Free Radical Substitution Reactions. 18.3 Reaction of Peroxides with Ketyl Radicals. References. Chapter 19. Free Radical Addition. 19.1 Enthalpy and Entropy of Free Radical Addition. 19.2 Empirical Correlation Equations. 19.3 Quantum Chemical Calculations for the Activation Energy. 19.4 Parabolic Model of Radical Addition. 19.5 Contribution of Enthalpy for an Addition Reaction to Its Activation Energy. 19.6 Force Constants of Reacting Bonds. 19.7 Triplet Repulsion in the Transition State of Addition Reactions. 19.8 Influence of Neighboring π-Bonds on the Activation Energy of Radical Addition. 19.9 Role of the Radius of the Atom Bearing the Free Valence. 19.10 Interaction of Two Polar Groups. 19.11 Multidipole Interaction in Addition Reactions. 19.12 Steric Hindrance. 19.13 Addition of Alkyl Radicals to Dioxygen. References. Chapter 20. Recombination and Disproportionation of Free Radicals. 20.1 Alkyl Radicals. 20.2 Macroradicals. 20.3 Peroxyl Radicals. References. Index.

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Book SynopsisThe chemistry of reactive intermediates is central to a modern mechanistic and quantitative understanding of organic chemistry. Moreover, it underlies a significant portion of modern synthetic chemistry and is integral to a molecular view of biological chemistry.Trade Review“...impressive reference...would be invaluable to any scientist whose project it is to understand the degradation pathway of a new chemical entity." (Pharmaceutical Development & Technology, February 2005) "This is truly an excellent book. The editors…have a reputation as gifted scientific writers…the graphics are also excellent, with a common format used throughout the entire book." (Journal of the American Chemical Society, August 18, 2004) "…this is a very nice book, which is an absolute must for every chemist concerned with reactive intermediates.” (Angewandte Chemie International Edition, August 6, 2004) "This book, which is well-organized and contains an extensive index, would be an indispensable resource for graduate students and professionals in academia or industry.” (E-STREAMS, July 2004) "An excellent and up-to-date resource for graduate students and practicing organic chemists. Highly recommended." (Choice, June 2004, Vol. 41 No. 10)Table of ContentsPreface.. PART 1: REACTIVE INTERMEDIATES. 1. Carbocations (R.A. McClelland). 2. Crossing the Borderline Between SN1 and SN2 Nucleophilic Substitution at Aliphatic Carbon(T.L. Amyes, et al.). 3. Carbanions (S. Gronert). 4. Radicals (M. Newcomb). 5. Non-Kekul Molecules as Reactive Intermediates (J.A. Berson). 6. Organic Radical Ions (H.D. Roth). 7. Singlet Carbenes (M. Jones Jr. and R.A. Moss). 8. Stable Singlet Carbenes (G. Bertrand). 9. Triplet Carbenes (H. Tomioka). 10. Atomic Carbon (P.B. Shevlin). 11. Nitrenes (M.S. Platz). 12. Synthetic Carbene and Nitrene Chemistry (M.P. Doyle). 13. Nitrenium Ions (D.E. Falvey). 14. Silylenes (W. Ando and N. Tokitoh). 15. Strained Hydrocarbons: Structures, Stability, and Reactivity (K.B. Wiberg). 16. Arynes (M. Winkler, et al.). PART 2: METHODS AND TEMPORAL REGIMES. 17. Matrix Isolation (T. Bally). 18. Nanosecond Laser Flash Photolysis: A Tool for Physica l Organic Chemistry (J.C. Scaiano). 19. The Picosecond Realm (E. Hilinski). 20. Reactions on the Femtosecond Time Scale (J.E. Baldwin). 21. Potential Energy Surfaces and Reaction Dynamics (B.K. Carpenter). 22. The Partnership Between Electronic Structure Calculations and Experiments in the Study of Reactive Intermediates (W.T. Borden). Index.

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Book SynopsisProvides experimental procedures for synthetic methods, transformations, and reagents. This work presents protocols for the synthesis of useful chemical compounds; for each protocol, safety warnings are included along with detailed experimental descriptions for the preparation, purification, and identification of the compound.

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Book Synopsis

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Book SynopsisSince it was first published in 1967, the highly regarded Topics in Stereochemistry series has consistently reflected the state of the art in the field and provided readers with a coherent framework for the conceptual, theoretical, and practical aspects of modern stereochemistry. With the new series editor, Scott E. Denmark, at the helm, Volume 22 continues to offer important insights into the evolution of stereochemistry and its future direction. Written by internationally recognized leaders in their respective fields, this volume introduces readers to some of the most intensely studied topics in research laboratories today. Along with the fundamental principles of chirality, the authors describe exciting new applications of stereochemistry in synthetic organic, physical organic, and bioorganic chemistry. They cover cutting-edge research in areas such as asymmetric catalysis, reactions with catalytic antibodies, and stereoelectronic control of organic reactioTrade ReviewFrom the review of the series: "...This excellent series is highly recommended to all chemists and is a requisite for all chemistry libraries. (Journal of Medicinal Chemistry) "It is...welcome that, with the latest two volumes reviews here, we see a relaunch of the series.... It is beyond question that these two further volumes, like the others, should be in every library." (Angewandte Chemie International Edition, Vol. 42, No 13, April 4, 2003) "..the first volume in the relaunch of this extraordinarily useful but temporarily dormant series...Denmark has stepped forward to take on editorial duties, and he has done a splendid job...this volume belongs in the library of every college and university where organic chemistry is taught...a personal copy should be on the shelf of every scientist who is working in one or more of the areas covered and in the personal library of any professor who teaches advanced level courses..." (Journal of the American Chemical Society, Vol. 125, No. 28)Table of ContentsMolecular Chirality (K. Mislow). Stereoselective Reactions with Catalytic Antibodies (D. Hilvert). Stereoelectronic Effects of the Group 4 Metal Substituents in Organic Chemistry (J. White & C. Clark). Asymmetric Catalysis with Chiral Lanthanoid Complexes (M. Shibasaki & H. Sasai). Asymmetric Amplification (D. Fenwick & H. Kagan). Indexes.

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Book SynopsisThis cutting-edge lab manual takes a multiscale approach, presenting both micro, semi-micro, and macroscale techniques. The manual is easy to navigate with all relevant techniques found as they are needed. Cutting-edge subjects such as HPLC, bioorganic chemistry, multistep synthesis, and more are presented in a clear and engaging fashion.Trade Review"As a teacher, I feel that this is one of the best books of its type..." (Education in Chemistry, January 2001)Table of ContentsSection 1 The Basics 1 Unit 1 Laboratory Safety 3 1.1 General Safety Guidelines 3 1.2 Chemical Toxicity 6 1.3 Dealing with Chemicals and Waste Disposal 7 1.4 Online Safety Resources 15 Unit 2 Basic Concepts 19 2.1 Polarity and H-Bonds 19 2.2 Physical Data 23 2.3 Solvents 24 2.4 Balancing Chemical Equations 26 2.5 Concentration Units 28 2.6 Moles and Millimoles 29 2.7 Mineral Acids 31 2.8 Calculation of Yields 32 2.9 Scaling Up, Scaling Down 34 2.10 Keeping Lab Books and Writing Lab Reports 34 2.11 Chemical Literature 35 Unit 3 Basic Operations 45 3.1 Handling Liquids 45 3.2 Heating 46 3.3 Filtration 47 3.4 Refluxing 51 3.5 Evaporation 53 3.6 Centrifugation 55 3.7 Caring for Glassware 55 3.8 Measuring Pressure 57 Section 2 The Experiments 59 Unit 4 Recrystallization and Melting Point 61 4.1 Overview 61 4.2 Recrystallization 62 4.3 Decolorizing Charcoal 69 4.4 Recrystallization from Mixed Solvents 70 4.5 Microscale Recrystallization 70 4.6 Melting Point 71 4.7 Sublimation 75 Experiment 4 Recrystallization of Acetanilide and Urea 79 E4.1 Recrystallization of Acetanilide 80 E4.2 Microscale Recrystallization of Urea 82 E4.3 Determination of Melting Points 82 Unit 5 Extraction 86 5.1 Introduction 86 5.2 Solvent-Solvent Partitioning 86 5.3 Macroscale Liquid-Liquid Extraction 92 5.4 Microscale Liquid-Liquid Extraction 93 5.5 Drying the Organic Layer 94 5.6 Solid-Liquid Extraction 95 5.7 Countercurrent Distribution 97 Experiment 5 Isolation of Caffeine from Tea 103 E5.1 Tea, Coffee, and Caffeine 103 E5.2 Caffeine from Tea: Overview of the Experiment 105 E5.3 Isolation of Caffeine 109 E5.4 Purification of Caffeine by Sublimation 110 E5.5 Purification of Caffeine by Recrystallization (Alternative Procedure) 111 Unit 6 Distillation — Separation and Purification of Organic Liquids 113 6.1 Boiling Point 113 6.2 Boiling Point and Molecular Structure 114 6.3 Simple Distillation 115 6.4 Fractional Distillation 120 6.5 Ideal and Nonideal Solutions 123 6.6 Azeotropic Mixtures 124 6.7 Fractionating Columns 125 6.8 Microscale Distillation 126 6.9 Boiling Point Determination 128 6.10 Vacuum Distillation 129 6.11 Steam Distillation 130 Experiment 6A Distillation of Alcohols 136 E6A.1 Distillation of Methanol from a Mixture with Ferric Chloride 136 E6A.2 Separation of Methanol-Water by Simple Distillation 137 E6A.3 Separation of Methanol-Water by Fractional Distillation 138 E6A.4 Analysis of the Distillation Fractions by Density 139 Experiment 6B Isolation of Anise Oil 142 E6B.1 Overview 142 E6B.2 Isolation of Anise Oil 142 Unit 7 Gas Chromatography 144 7.1 Introduction 144 7.2 The Chromatographic Methods 144 7.3 Partition Chromatography 146 7.4 Gas Chromatography 149 7.5 The Gas Chromatograph 151 7.6 Measuring the Retention Time 155 7.7 Integration 156 7.8 Quantitative Analysis 157 7.9 Quantitative Analysis: A Closer Look (Advanced Level) 158 7.10 Qualitative Analysis 161 7.11 Running GC: Step by Step 162 7.12 Gas Chromatography Do’s and Don’ts 163 Experiment 7A Gas Chromatography of Alcohols 167 E7A.1 Analysis of Alcohols 167 E7A.2 Separation of Methanol and Water 168 Experiment 7B Analysis of Anise Oil 170 E7B Analysis of Anise Oil 170 Unit 8 Thin-Layer Chromatography 172 8.1 Overview 172 8.2 The Adsorption Process 173 8.3 Selection of TLC Conditions 175 8.4 Running TLC Plates 178 8.5 Adsorption Isotherms (Advanced Level) 182 8.6 Applications of TLC 184 8.7 Other Stationary Phases 186 8.8 TLC Do’s and Don’ts 186 Experiment 8 TLC Analysis of Vegetable Extracts 190 E8.1 Plant Pigments 190 E8.2 Isolation and Analysis of Plant Pigments 192 Unit 9 Column Chromatography 197 9.1 Overview 197 9.2 Practical Aspects 197 9.3 Applications 202 9.4 Column Chromatography Do’s and Don’ts 203 Experiment 9 Isolation of C60 from Fullerene Soot 206 E9.1 Fullerenes 206 E9.2 Isolation of Fullerenes 207 E9.3 A Chemical Test for Fullerenes 208 E9.4 Overview of the Experiment 209 E9.5 Isolation of C60 from Fullerene Soot 209 Unit 10 High-Performance Liquid Chromatography 214 10.1 Overview 214 10.2 HPLC Systems 214 10.3 HPLC Versus GC 215 10.4 Solvents 216 10.5 Pumps 217 10.6 Injection Port 217 10.7 Columns 218 10.8 Detectors 219 10.9 Why is HPLC High Performance? 220 10.10 Reversed-Phase Chromatography 221 10.11 Other Chemically Bonded Stationary Phases 222 10.12 Size-Exclusion Chromatography 223 10.13 Quantitative Determinations: Standard Curve Method 224 10.14 HPLC Do’s and Don’ts 224 Experiment 10 Vitamin Analysis—A Quantitative Study 227 E10.1 Water-Soluble and Fat-Soluble Vitamins 227 E10.2 Vitamin Stability 229 E10.3 International Units 230 E10.4 Characterization of Vitamin A 230 E10.5 Overview of the Experiment 231 Unit 11 Refractometry and Polarimetry 238 11.1 Refractive Index 238 11.2 The Refractometer 239 11.3 Measuring the Refractive Index 240 11.4 Polarimetry 242 11.5 The Polarimeter 245 11.6 Measuring the Optical Rotation 246 11.7 Optical Rotation of Mixtures 247 Experiment 11A Analysis of Essential Oils 250 E11A.1 Terpenoids 250 E11A.2 Essential Oils 252 E11A.3 Specific Rotation 253 E11A.4 Refractive Index 253 E11A.5 Composition of Essential Oils 253 Experiment 11B Separation of Carvone and Limonene 255 E11B.1 Carvone and Limonene 255 E11B.2 Analysis of the Crude Oils 256 E11B.3 Separation of Carvone and Limonene 257 Unit 12 Alcohols and Alkenes 261 12.1 Alkenes from Alcohols 261 12.2 Dehydration Mechanisms 262 12.3 Characterization of Alkenes 264 Experiment 12 The Dehydration of Methylcyclohexanols 268 E12.1 Overview 268 E12.2 Dehydration of Methylcyclohexanols 269 E12.3 Analysis of the Product Mixture 270 Unit 13 Alkyl Halides 273 13.1 Preparation 273 13.2 Reactions 274 13.3 Alkyl Halides from Alcohols 274 13.4 Characterization Tests 276 Experiment 13 Synthesis of n-ButyI Bromide and 2-ChIoro-2-MethyIbutane 280 E13.1 Synthesis of n-Buty1 Bromide 280 E13.2 Synthesis of 2-Ch1oro-2-Methy1butane 284 E13.3 Characterizahon Tests 285 Unit 14 Acid-Base Extraction 292 14.1 Introduction 292 14.2 Acids and Bases 292 14.3 Structural Effects on Acid-Base Properties 294 14.4 Acid-Base Extraction 298 14.5 Overview 303 Experiment 14A Isolation of Eugenol from Cloves 307 E14A.1 Ancient Medicine 307 E14A.2 Eugenol from Cloves: Overview of the Experiment 307 E14A.3 Isolation of Eugenol 308 E14A.4 GC and IR Analyses 310 Experiment 14B Isolation of the Active Ingredients in an Analgesic Tablet 315 E14B.1 Overview 315 E14B.2 Separation of the Active Ingredients in Excedrin 317 E14B.3 Analysis 317 Unit 15 Phenols and Ethers 323 15.1 Phenols and Ethers 323 15.2 Williamson Ether Synthesis 323 15.3 Characterization of Phenols: Ferric Chloride Test 324 15.4 IR and NMR of Phenols and Ethers 325 Experiment 15 Medicinal Chemistry: From Tylenol to a Banned Chemical 327 E15.1 Analgesics 327 E15.2 The Experiment: Overview 329 E15.3 Conversion of Acetaminophen into Phenacetin 330 E15.4 Ferric Chloride Test 332 E15.5 Analysis of Analgesics by TLC 332 Unit 16 Electrophilic Aromatic Substitution 336 16.1 Mechanism of Electrophilic Aromatic Substitution 336 16.2 Nitration and Halogenation 337 16.3 Effects of Substituents 338 Experiment 16A lodinatian of Tyrosine 342 E16A.1 Synthesis of 3,5-Diiodotyrosine 342 Experiment 16B Two Substitution Puzzles 350 E16B.1 Overview 350 E16B.2 NMR Analysis 351 E16B.3 Nitration of Phenacetin 352 E16B.4 Bromination of Phenacetin 353 Unit 17 Nucleophilic Aromatic Substitution 355 17.1 Nucleophilic Aromatic Substitution 355 17.2 Dinitroanilines 356 Experiment 17 Dinitrocompounds—Herbicides 360 E17.1 Synthesis of Trifluralin 360 E17.2 Synthesis of N -(n-Buty1) -2,4-Dinitroani1ine 361 E17.3 Herbicide Effects of Trifluralin and N -(n-Butyl) -2,4-Dinitroaniline 362 Unit 18 Chemical Kinetics 368 18.1 Mechanistic Studies 368 18.2 Chemical Kinetics 368 18.3 Experimental Aspects 370 18.4 Integrated Rate Equations 370 18.5 Reaction Half-Life 372 18.6 Transition States 372 18.7 Dependence of the Rate Constant with Temperature: Arrhenius Equation 375 18.8 Following the Kinetics 375 18.9 Best Fit 377 Experiment 18 Nucleophilic Aromatic Substitution Kinetics 381 E18.1 The Problem 381 E18.2 To Follow the Kinetics 383 E18.3 Overview of the Experiment 383 E18.4 Synthesis of 2,4-Dinitroanisole 384 E18.5 Visible Spectrum of N-(n-Butyl) -2,4-Dinitroaniline 384 E18.6 Beer’s Law of N-(n-Butyl) -2,4-Dinitroaniline 385 E18.7 Kinetics of the Reaction of 2,4-Dinitroanisole with n-Butylamine in Methanol 385 Unit 19 Diels-Alder Reaction 391 19.1 Diels—Alder Reaction 391 19.2 Endo versus Exo 392 19.3 Solvent Effects 393 19.4 Experimental Considerations: Following the Reaction 395 Experiment 19A Diels—Alder Reactions in Toluene 398 E19A.1 Reaction of 9-Anthraldehyde with Maleic Anhydride 398 E19A.2 Reaction of Phencyclone with Norbornadiene 400 Experiment 19B Diels—Alder Reaction in Water 408 E19B.1 Reaction of 9-Anthracenemethanol with N-Ethylmaleimide 408 E19B.2 Kinetics of the Reaction of 9-Anthracenemethanol with NEM 409 Unit 20 Aldehydes and Ketones 415 20.1 Introduction 415 20.2 Preparation 416 20.3 Reactions of Aldehydes and Ketones 416 20.4 IR and NMR of Aldehydes and Ketones 423 Experiment 20A Identification of Aldehydes and Ketones 427 E20A.1 Characterization Tests 428 E20A.2 Preparation of Derivatives 430 E20A.3 The Unknown 430 Experiment 20B Synthesis of trans-Cinnamic Acid 433 E20B Synthesis of trans-Cinnamic Acid: Perkin Condensation, 433 Unit 21 Oxidation-Reduction 438 21.1 Overview 438 21.2 Selectivity 439 21.3 Oxidations 440 21.4 Phase Transfer Catalysis 444 21.5 Reductions 445 Experiment 21 Oxidation-Reduction 451 E21.1 Reduction of Benzophenone 451 E21.2 Oxidation of Benzhydrol 452 E21.3 Reduction of trans-Cinnamaldehyde 453 E21.4 Oxidation of trans-Cinnamyl Alcohol 454 E21.5 Reduction of Camphor 455 E21.6 Oxidation of Isoborneol 456 E21.7 Synthesis of Terephthalic Acid 456 E21.8 Monoreduction of m-Dinitrobenzene 458 Unit 22 Esters 473 22.1 Esters in Nature and Society 473 22.2 Preparation of Esters 474 22.3 Acetylation 476 22.4 Ester Hydrolysis 476 22.5 Characterization of Esters 477 22.6 IR and NMR of Esters and Carboxylic Acids 477 Experiment 22A Preparation of Fruity Fragrances 480 E22A.1 Preparation of Methyl trans-Cirinamate: A Component of Strawberry Aroma 480 E22A.2 Preparation of n-Propy1 Acetate and Isoamyl Acetate 482 E22A.3 Hydroxamic Acid Test 484 Experiment 22B Transforming Bengay into Aspirin 491 E22B.1 Overview 491 E22B.2 Separation of Methyl Salicylate, 493 E22B.3 Hydrolysis of Methyl Salicylate, 493 E22B.4 Synthesis of Aspirin 494 E22B.5 Analysis 494 Unit 23 Multistep Synthesis 499 23.1 Overview 499 23.2 Multistep Synthesis 500 23.3 Retrosynthetic Analysis 502 23.4 Planning a Multistep Synthesis 507 23.5 Linear versus Convergent Synthesis 508 Experiment 23A Synthesis of an Ant Alarm Pheromone: 2-Methyl-4-Heptanone 511 E23A.1 Overview 511 E23A.2 Synthetic Route 511 E23A.3 Grignard Reactions 512 E23A.4 Oxidation of Secondary Alcohols 514 E23A.5 Synthesis of 2-Methyl-4-Heptanol 514 E23A.6 Synthesis of 2-Methyl-4-Heptanone 516 E23A.7 Vacuum Distillation 516 Experiment 23B Synthesis of Ionones: An Open-Ended Experiment 520 E23B.1 lonones 520 E23B.2 Synthetic Pathway 520 E23B.3 Characterization of lonones 522 E23B.4 Preparation of Pseudoionones 523 E23B.5 Cyclization with Sulfuric Acid-Acetic Acid 524 E23B.6 Cyclization with Phosphoric Acid 525 Unit 24 Molecules of Life 532 24.1 Proteins 532 24.2 Carbohydrates 539 Experiment 24 Chemistry of Milk 546 E24.1 Composition of Milk 546 E24.2 Isolation and Characterization of Casein 549 E24.3 Isolation and Characterization of Lactose 552 Unit 25 Lipids 556 25.1 Fats and Oils 556 25.2 Characterization of Oils 558 25.3 Uncommon Fatty Acids and Related Compounds 559 25.4 Saponification 560 25.5 Steroids 560 25.6 Bile Acids 562 25.7 Inclusion Compounds 562 Experiment 25 Lipids 566 E25.1 Analysis of Oils 566 E25.2 Trimyristin From Nutmeg 567 E25.3 Preparation of Azelaic Acid from Castor Oil 569 E25.4 Urea Complexes of Fatty Acids 570 E25.5 Solubility of Cholesterol 570 E25.6 Bile Acids 571 Unit 26 Polymers 577 26.1 Introduction 577 26.2 Chain-Reaction Polymerization 579 26.3 Step-Reaction Polymerization 581 26.4 Polymer Structure 583 26.5 Some Typical Polymers 584 26.6 Plasticizers 588 26.7 Applications and Recycling 589 26.8 Identification of Plastics 590 Experiment 26 Synthesis and Analysis of Polymers 595 E26.1 Overview 595 E26.2 Emulsion Polymerization of Styrene with Persulfate 596 E26.3 Emulsion Polymerization of Methyl Methacrylate 597 E26.4 Bulk Copolymerization of Styrene and Divinylbenzene: Effect of a Plasticizer 598 E26.5 Bulk Polymerization of Methyl Methacrylate 599 E26.6 Cellulose Triacetate 599 E26.7 Phenolic Resins 601 E26.8 Preparation of Nylon 6.6: The Nylon Rope Trick 601 E26.9 Analysis of Polymers 602 Unit 27 Dyes and Pigments 27.1 Dyes, Pigments, and Colors 611 27.2 Azo Dyes 612 27.3 Synthesis of Azo Dyes 613 27.4 Cationic Dyes 615 27.5 Anthraquinone Dyes 616 27.6 Indigo Dyes 617 27.7 Other Dyes 618 27.8 Mode of Application 619 27.9 Dyeing 620 Experiment 27 Colored Chemistry 626 E27.1 Direct Dyes 627 E27.2 Mordant Dyeing 630 E27.3 Ingrain Dyes 630 E27.4 Vat Dyes 632 E27.5 Dye Fastness 633 Unit 28 Bioorganic Chemistry 635 28.1 Enzymes: Biological Catalysts 635 28.2 How Enzymes Work 635 28.3 Using Enzymes 637 28.4 Prochiral Molecules 639 28.5 Reduction of Ketones 640 28.6 Enantiomeric Excess 642 Experiment 28 Asymmetric Synthesis with Baker’s Yeast: An Open-Ended Experiment 645 E28.1 Overview 645 E28.2 Investigating the Course of the Reaction 646 E28.3 Conformational Analysis: Determining Whether the Diol is Threo or Erythro (Advanced Level) 647 E28.4 Reduction of 1-Pheny1-1,2-Propanedione with Baker’s Yeast 649 E28.5 Analysis 650 Unit 29 Molecules of Heredity 653 29.1 Nucleosides and Nucleotides 653 29.2 Base Pairing 656 29.3 Purine and Pyrimidine Bases 657 29.4 Chemical Transformations 658 Experiment 29 Analysis of Nucleosides 662 E29.1 Overview of the Experiment 662 E29.2 Analysis of an RNA Digest 662 E29.3 Deamination of Cytidine to Uridine 664 Section 3 Spectroscopy 667 Unit 30 Absorption Spectroscopy 669 30.1 The Nature of Light 669 30.2 Interaction between Electromagnetic Radiation and Matter 670 30.3 Absorption Spectroscopy 672 Unit 31 Infrared Spectroscopy 675 31.1 Molecular Vibrations 675 31.2 Stretching and Bending Vibrations 677 31.3 IR and Dipole Moment 679 31.4 Regions of the IR Spectrum 680 31.5 Experimental Aspects 681 31.6 Interpreting IR Spectra 685 31.7 Case Studies 693 31.8 Concentration and Solvent Effects on IR 695 31.9 Instrumentation 697 Unit 32 Ultraviolet-Visible Spectroscopy 707 32.1 Electronic Transitions 707 32.2 Chromophores and Auxochromes 709 32.3 Structural Effects on UV-Visible Spectra: Woodward—Fieser Rules 710 32.4 Applications of UV-Visible Spectroscopy 711 32.5 Spectrophotometers 714 Unit 33 Nuclear Magnetic Resonance 719 33.1 Nuclear Spin 719 33.2 The Resonance Phenomenon: A Closer Look 721 33.3 Obtaining the NMR Spectrum 724 33.4 1H-NMR 726 33.5 Electronic Shielding 727 33.6 The Chemical Shift 729 33.7 Effect of Pi Electrons 730 33.8 Hydrogen Equivalence: A Closer Look 732 33.9 Integrals 732 33.10 Spin-Spin Splitting 734 33.11 Typical Coupling Patterns 739 33.12 The Coupling Constant 739 33.13 Coupling: A Closer Look 742 33.14 Chemical Shift Correlations 750 33.15 Coupling of Hydrogens Attached to Heteroatoms 756 33.16 13C-NMR 758 33.17 13C-NMR Chemical Shifts 760 33.18 Aromatic Systems 765 33.19 Effect of Chirality on the NMR 768 33.20 Running the Spectrum 771 33.21 Two-Dimensional NMR 772 33.22 Interpreting 1H-NMR Spectra 774 Unit 34 Mass Spectrometry 783 34.1 Overview 783 34.2 Instrumentation 784 34.3 The Molecular Ion 785 34.4 Charge Localization 789 34.5 Fragmentations 790 34.6 MS Case Studies 796 34.7 Interpreting Mass Spectra 798 34.8 High-Resolution Mass Spectra 800 Answers to Odd-Numbered Exercises 803 Credits 821 Index 823 Index of Spectra 834

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Book SynopsisAn element in the earth's crust, an additive in livestock feed. a medicine in early civilization--and the toxin of toxins A pervasive part of our natural environment and everyday lives. arsenic has nonetheless earned a niche in history as a substance of diabolical suppleness.Table of ContentsPartial table of contents: Arsenic in Human Medicine (M. Gorby). Health Effects of Environmental Arsenic (W. Morton & D.Dunnette). Toxicity and Metabolism of Arsenic in Vertebrates (S. Naqvi, etal.). Effects of Arsenic on DNA Synthesis in Human Lymphocytes (Z.Meng). Chronic Arsenism from Drinking Water in Some Areas of Xinjiang,China (W. Lianfang & H. Jianzhong). Estimation of Human Exposure to and Uptake of Arsenic Found inDrinking Water (H. Xu, et al.). A Review of Arsenic Hazards to Plants and Animals with Emphasis onFishery and Wildlife Resources (R. Eisler). Arsenic in Marine Organisms: Chemical Forms and ToxicologicalAspects (K. Shiomi). Index.

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Book SynopsisCovering the basic theory of atom-surface interactions, this volume combines approaches to the subject from both physics and chemistry in order to provide an understanding of surface chemistry from a molecular point of view.Trade Review"...Billing relates the dynamics of chemical reactions at surfaces." (SciTech Book News, Vol. 24, No. 4, December 2000)Table of ContentsBasic Concepts. Surface Diffusion. Interaction Potentials. Quantum Treatment of Atom/Molecule-Surface Scattering. Classical Mechanical Treatment. The Generalized Langevin Equation. A Semiclassical Approach. Electron Gas Theories. Density Functional Theory. Electron-Hole Pair Excitation. Perspective. Appendices. Bibliography. Answers to Exercises. Index.

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Book SynopsisThis comprehensive volume provides an homogeneous coverage of the whole area of solid-phase synthesis/combinatorial technology and clarifies the strategies used to plan, design, prepare and test combinatorial libraries.Trade Review"For both experienced combinatorial chemists and newcomers ...Seneci...provides an overview of recent developments in the realm where chemistry intersects with automation, statistics, information science, and certain biological disciplines." (SciTech Book News, Vol. 25, No. 2, June 2001) "...[a] comprehensive review of the whole combinatorial area" (Chemistry in Britain, January 2001) "...a welcome addition to the rapidly developing field of combinatorial synthetic chemistry..." (Pharmaceutical Research, Vol. 18, No. 9, September 2001)Table of ContentsSolid-Phase Synthesis: Basic Principles. Solid-Phase Synthesis: Oligomeric Molecules. Solid-Phase Synthesis: Small Organic Molecules. Combinatorial Technologies: Basic Principles. Synthetic Organic Libraries: Library Design and Properties. Synthetic Organic Libraries: Solid-Phase Discrete Libraries. Synthetic Organic Libraries: Solid-Phase Pool Libraries. Synthetic Organic Libraries: Solution-Phase Libraries. Applications of Synthetic Libraries. Biosynthetic Combinatorial Libraries. Materials and Polymeric Combinatorial Libraries. Index.

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Book SynopsisA selection of papers providing critical evaluations of advances made in dithiolene chemistry. This work covers dithiolene complexes and their noteworthy properties.Trade Review"…a valuable contribution to the literature…the editor should be congratulated upon producing it to such a high standard. I recommend it unreservedly…" (Angewandte Chemie, December 17, 2004) "…a balanced and comprehensive treatment of incontestable currency and utility…a primary, and possibly indispensable, resource." (Journal of the American Chemical Society, August 11, 2004) “…an extremely useful addition…” (Applied Organometallic Chemistry, Vol 18, No 8, August 2004)Table of ContentsChapter 1: Synthesis of Transition Metal Dithiolenes (T. B. Rauchfuss). Chapter 2: Structures and Structural Trends in Homoleptic Dithiolene Complexes (C. L. Beswick, J. M. Schulman, and E. I. Stiefel). Chapter 3: The Electronic Structure and Spectroscopy of Metallo-Dithiolene Complexes (M. L. Kirk, R. L. McNaughton, and M. E. Helton). Chapter 4: Vibrational Spectra of Dithiolene Complexes (M. K. Johnson). Chapter 5: Electrochemical and Chemical Reactivity of Dithiolene Complexes (K. Wang). Chapter 6: Luminescence and Photochemistry of Metal Dithiolene Complexes (S. D. Cummings and R. Eisenberg). Chapter 7: Metal Dithiolene Complexes in Detection: Past, Present, and Future (K. A. Van Houten and R. S. Pilato). Chapter 8: Solid-State Properties (Electronic, Magnetic, Optical) of Dithiolene Complex-Based Compunds (C. Faulmann and P. Cassoux). Chapter 9: Dithiolenes in Biology (S. J. N. Burgmayer). Chapter 10: Chemical Analogues of the Catalytic Centers of Molybdenum and Tungsten Ditholene-Containing Enzymes (J. McMaster, J. M. Tunney, and C. D. Garner). Chapter 11: Dithiolenes in More Complex Ligands (D. Sellmann and J. Sutter). Subject Index. Cumulative Index, Volumes 1–52.

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Book SynopsisProvides detailed applications of nucleases in recombinant DNA technology, molecular cloning, biotechnology, pharmaceuticals, and commerce. This work covers the role of nucleases in biological systems, with focus on understanding their role in causing human diseases.Trade Review"...a useful text for students and professionals..." (Genomics and Proteomics, May 1, 2003)Table of ContentsPreface. List of Nobel Prize Winners for Their Research Work with Nucleases. About the Author. 1. Introduction. I. Historical Perspectives. II. Protein, RNA, DNA, and Other Molecules as Nucleases. III. Nature of Enzymatic Reactions Catalyzed by Nucleases. IV. Classification. A. Nature of Substrates. B. Mode of Attack. C. Site-Specificity and Structure-Selectivity. V. Methods for the Study of Nucleases. A. Methods for the Assay of the Enzymatic Activity. B. Methods for the Study and Characterization of Nucleases. VI. Genetics of Nucleases and Biological Roles. VII. Applications of Nucleases. 2. Ribonuclease. I. General Ribonucleases. A. Microbial Ribonucleases. 1. RNaseT1. 2. RNaseT2. B. Mammalian Ribonucleases. 1. Bovine Pancreatic Rnase. 2. RNaseA. 3. Human Pancreatic Ribonuclease (HPR). 4. Human Nonsecretory Ribonuclease (HNSR). 5. Human Major Basic Protein (MBP), Eosinophil Cationic Protein (ECP) and Eosinophil-Derived Neurotoxin (EDN). 6. Angiogenin. 7. Interferon-Induced Mammalian Ribonuclease. 8. Human RNase with a Possible Role in Tumor Suppression. C. Plant Ribonucleases. D. Evolution of Ribonucleases. II. Ribonucleases Involved in RNA Processing (Trimming, Splicing, and Editing). A. RNaseIII and RNaseIII-Like Enzymes. B. RNaseP. C. RNaseE. D. RNaseM5. E. RNaseD. F. Eukaryotic RNA-Splicing Enzymes. 1. Yeast tRNA Splicing Endonuclease. III. Ribonuclease H. A. E. coli RNaseH. B. Retroviral Reverse Transcriptase RNaseH. C. Yeast RNaseH. D. Human RNaseH. E. Other Eukaryotic RNaseH. F. Biological Function of RNaseH. IV. Proofreading Activity of RNA Polymerase. 3. Deoxyribonuclease. I. Classification of Enzymes. A. Deoxyribonucleases. B. Endonucleases C. Exonuclease. II. Properties of Enzymes from Different Organisms. A. Bacterial Enzymes. 1. Exonuclease I. 2. Exonuclease II. 3. Exonuclease III. 4. Application of the Enzyme Exonuclease III. 5. Exonucleases IVA and IVB. 6. Exonuclease V (RecBCD Enzyme). 7. RecBCD (Exo V) from Other Organisms. 8. Exonuclease VI. 9. Exonuclease VII. 10. Exonucleases Associated with DNA Polymerases. 11. Exonuclease VIII. B. Endonucleases. 1. Bacterial Enzymes. 2. Mammalian Deoxyribonuclease. 4. Restriction Endonucleases. I. Occurrence, Classification, and Their General Properties. A. Different Restriction Endonucleases and Their Properties. II. Type I Restriction Endonucleases. A. Purification and General Properties. B. Recognition Sequences and Nature of Substrate. C. Different Kinds of Type II Restriction Endonucleases. D. Genetics. E. Cleavage Mechanism. III. Type II Restriction Endonucleases. A. Enzyme Purification and Assay. B. General Properties of the Enzyme. C. Crystal Structure of the Restriction Endonucleases. D. Reaction Conditions and Enzyme Specificity. E. Nature of Substrate. 1. Synthetic Oligonucleotides. 2. DNA with Base Analogs. 3. Methylated DNA. 4. Single-Stranded DNA. 5. DNA-RNA Hybrids as Substrate. F. Inhibition of Restriction Endonucleases. G. Restriction Endonuclease Genes. IV. Type III Restriction Endonucleases. V. Evolutionary Significance and Biological Role. VI. Application of Restriction Nucleases. VII. General Tips for Beginners or the First-Time Users of Restriction Enzymes. 5. Damage-Specific Nucleases. I. Classification and Assay . A. AP Endonucleases. B. Enzymes that Directly Attack Phosphodiester Linkages in the Damaged DNA Region. C. Assay. II. Properties of Two Groups of Enzymes from Different Organisms. A. AP Endonucleases. 1. AP Endonucleases Associated with DNA Glycosylase Activity. 2. M. luteus Enzyme. 3. E. coli Endonuclease III. B. AP Endonuclease Associated with Other Enzyme Activities. 1. E. coli Exonuclease III AP-Endonuclease Activity. C. AP Endonucleases. 1. E. coli AP Endonucleases. 2. Fungal Apurinic Endonuclease. 3. Drosophila AP Endonucleases. 4. Human AP Endonucleases. 5. Plant AP Endonuclease. D. Direct-Acting Enzymes. 1. E. coli UV Endonuclease. 2. Human Excision Nuclease. 6. Topoisomerases. I. Choreography and Topology of DNA. II. Enzyme Assay. A. Electron Microscopy. B. Sedimentation Methods. C. Agarose Gel Electrophoresis. III. Properties of Enzymes from Different Groups of Organisms. A. Prokaryotic Topoisomerases. 1. Prokaryotic Topoisomerase I. 2. Prokaryotic Topoisomerase II. 3. Properties of Gyrase. 4. Other Activities of Gyrase. 5. Prokaryotic Topoisomerase III. B. Eukaryotic Topoisomerases. 1. Eukaryotic Topoisomerase I. 2. Eukaryotic Topoisomerase II. C. Mitochondrial Topoisomerase. D. Viral Topoisomerases. IV. Genetics and Biological Role. A. Prokaryotic Topoisomerase Mutants. 1. Topoisomerase I. 2. Topoisomerase II. B. Eukaryotic Topoisomerase Mutants. 1. Topoisomerase I Mutants of Yeast. 2. Topoisomerase II Mutants of Yeast. 3. Topoisomerase Mutants of Higher Eukaryotes. 7. Recombinases. I. General Description and Classification. A. General Recombinase. B. Site-Specific Recombinase. 1. Prokaryotic. 2. Eukaryotic. C. Transpositional Recombinase. D. RNA Recombinase. II. Properties of Different Recombinases. A. General Recombinase. 1. Initiase. 2. X-Solvase. 3. Correctase. B. Site-Specific Recombinase. C. Prokaryotic Site-Specific Recombinase. 1. Integrase. 2. Invertase. 3. Resolvase. D. Eukaryotic Site-Specific Recombinase. 1. Eukaryotic Site-Specific Recombinase. 2. ''Homing'' Nuclease (Intron Coded Nuclease). 3. Viral Integrase. E. Transpositional Recombinase. 1. Prokaryotic Transposases. 2. Eukaryotic Transposase. 3. Retrotransposable Elements and Retrotransposases. F. Control of Recombinases. G. RNA Recombinase. 8. Sugar-NonSpecific Nucleases. I. General Description, Classification, and Methods of Assay. II. Properties of Enzymes from Different Groups of Organisms. A. Microbial Nucleases. 1. Neurospora crassa Endonuclease. 2. S1 Nuclease. 3. Yeast Nucleases. 4. Micrococcal Nuclease. 5. Bal-31 Nucleases. B. Animal Nucleases. 1. Spleen Exonucleases. 2. Snake Venom Exonuclease. C. Plant Nucleases. 1. Mung Bean Endonuclease. 2. Other Plant Nucleases. D. Parasitic Protozoan Nuclease. 9. Nonprotein Nucleases. I. Ribozymes. A. RNaseP. 1. Protein Component of RNaseP. B. Introns as Ribozymes. 1. Group I Intron Ribozymes. 2. Mechanism of Catalysis by Group I Intron Ribozyme. 3. Assay of Ribozyme Activity of Intron RNA or Other RNA. C. Group II Intron Ribozymes. D. Splicosomal snRNA Ribozyme. 1. Proteins that Facilitate the Ribozyme Activity of RNA Nucleases. E. Maturase. F. Hammerhead RNA as Ribozyme. G. Cis- and Trans-Acting Ribozyme Endonuclease. II. DNAzymes. III. Chemzymes. A. Chemicals and Metal Ligand Complexes as Nucleases. 1. Piperidine. 2. Hydrogen Peroxide. 3. DNA Intercalating Agents. 4. Phenanthroline. 5. Factors Controlling the DNA Cleavage by Chemzymes. B. Peptides. IV. Designer Nuclease. 10. Molecules that Interact with Nucleases. I. Inhibitors. A. Proteins as Nuclease Inhibitors. 1. DNase Inhibitor-Protein. 2. RNase Inhibitor-Protein. B. RNA as Nuclease Inhibitors. C. Other Molecules that Act as Nuclease Inhibitors. II. Proteins that Interfere with the Activity of Nuclease by Interacting with the Substrate (Nucleic Acids). III. DNA Sequences that Interact with Nucleases. A. Chi-Like Elements in Eukaryotes. IV. Other Inhibitor Molecules. V. Proteins that Interact with DNA or Nuclease to Orchestrate the Activity of Nucleases. 11. Biological Function of Nucleases. I. Replication. A. Three Steps in DNA Replication. 1. Initiation. 2. Elongation. 3. Termination. B. Role of Viral Nuclease in the Degradation of Host DNA. C. Involvement of Nuclease During the Separation of Daughter Helices at the End of Replication. D. Involvement of Nucleases in the Rolling Circle Mechanism of DNA Replication. E. Involvement of Nuclease in the Replication of Linear DNA. F. Involvement of Nuclease in the Replication of Chromosome in Eukaryotes. II. DNA Repair. A. Baseless Sites. B. Sites with Altered Base or Incorrect Base. C. Cross-Linking and Other Damages. D. DNA Repair Mechanisms. E. Excision Repair. F. Bypass Repair Pathways. G. Recombinational Repair Pathway. H. Inducible and Error-Prone Repair Pathway. I. Mismatch Repair. J. Mismatch Repair in Mammalian Cells. K. Incision of Damaged DNA is a Complex Process Involving Several Proteins. L. Excision Repair Mutants of Neurospora. M. Excision Repair Mutants of Yeast. N. Excision Repair Mutants of Drosophila. O. Excision Repair Mutants of Mammalian Cells. III. Recombination. A. Different Kinds of Genetic Recombination. B. Recombination Mechanisms and Nucleases. C. Gene Conversion and Postmeiotic Segregation. D. In Vitro Recombination System. E. Fungal Recombination Nucleases. F. Mismatch Repairs During Recombination. G. Recombination Pathways. 1. RecBCD Pathway. 2. RecFJ Pathway. 3. RecE Pathway. 4. Red Pathway. H. Recombinational Control of Gene Expression. I. Role of Recombinase in Mammalian Antibody Diversity, Allelic Exclusion, and Class Switch. J. T-Cell Surface Receptor. K. Application of Recombinases: Engineered Expression of Genes. IV. DNA Transfection or Transformation. V. Mutation. VI. DNA Supercoiling and Maintenance of Chromosome Structure. VII. Transcription. VIII. RNA Processing. A. RNA Trimming. B. RNA Splicing. C. RNA Editing. IX. Control of Translation. X. Viral Maturation and Encapsidation. XI. Nuclease in Defense Mechanism. XII. Apoptosis and Nucleic Acid Salvage. 12. Nucleases and Human Diseases: Basis for Application. I. Involvement of Nucleases in Human Disease. A. Xeroderma Pigmentosum. B. Ataxia Telangiectasia. C. Cockayne Syndrome. D. Cancer. E. Aging-Werner Syndrome. F. Immunological Diseases. G. Nucleases and Neurological Disorders. H. Human Diseases Involving Defective Protein Folding. I. Other Human Diseases. II. Reverse Genetics, Human Diseases, and Nucleases. III. Use of Nucleases in Control of Human Disease. 13. Nucleases as Tools. I. Nature of ''Transforming Principle'' as DNA. II. Isolation of DNA and RNA. III. Nearest-Neighborhood Analysis. IV. Isolation of a Gene. V. Uniparental Transmission During Cytoplasmic Inheritance. VI. Physical Mapping of DNA. VII. Use of Nuclease in the Development of Recombinant DNA Technology and the Molecular Cloning of a Gene. VIII. Construction of an Artificial Chromosome. IX. New Method for Mapping Eukaryotic Chromosomes. A. Chromosome Walking (Overlap Hybridization). B. Role of Nucleases in Transposon Mobility. X. Use of Nuclease in the Physical Mapping of a Mutational Site. XI. Biological Activity of a DNA Segment. A. Use of Nucleases in the Identification of the Function of a DNA Segment via Transformation Experiments. B. Use of Nucleases in the Deletion Mapping of Biological Activity. C. Use of Nuclease in Identification of the Function of DNA Segment via Marker Rescue Method. XII. Organization of Eukaryotic Chromosomes. XIII. Distinction Between Active and Inactive Genes: The Relation Between Activity of a Gene and a Nuclease-Sensitive Site. XIV. DNase Footprinting. XV. Construction of Mutants: Site-Specific Mutation and Protein Engineering. XVI. Nucleases in Directed Mutagenesis. XVII. Nick Translation and Labeling of DNA with High-Specificity Radioactivity. XVIII. Role of Nucleases in PCR. A. Proofreading by Nuclease During PCR Amplification. B. Application of 50 Nuclease in PCR Assay for Rapid Detection of a Known Gene in a DNA Sample(s). C. Application of Nucleases in SNP-Genotyping and Pharmacogenetics. XIX. Gene Knockout. XX. RNase Protection Assay. XXI. Use of Nucleases in Forensic Science. XXII. Human and Other Genome Projects. 14. Application of Nucleases in Biotechnology, Medicine, Industry, and Environments. I. Construction of Recombinant DNA and Molecular Cloning of Genes. II. Biotechnology of Microorganisms, Plants, Animals and Marine Organisms Based on Recombinant DNA Technology. III. Application in Medicine. A. Role of Nucleases in Predictive, Preventive, and Curative Medicine. B. Drug Designs. C. Antisense Strategy. IV. Nuclease Therapeutics and Therapeutic Targets. A. DNaseI and DNAzyme-Based Therapeutics. B. RNaseA and Ribozyme-Based Therapeutics. C. Gene Therapy and Enhancement Therapy. D. Gene Silencing. E. RNaseL and Interferon-Mediated Control of Viral Infection and treatment of Cancer. F. Recombinase-Mediated Control of Gene Expression. G. Poisoning of Topoisomerase-DNA Intermediates. V. Application in Forensics. VI. Application in Industry: Production of Flavor Enhancer of Food and Beverage. VII. Application in Environmental Problems. A. Bioremediation. B. Detection of Microbial Pathogens to Prevent Bioterrorism by 5' Nuclease in PCR Assay. 15. Nucleases and Evolution. I. Ribozyme as Evidence for the Early World of RNA. II. Chemzyme, Ribozyme, and Proteinzyme. III. The Role of Recombinase in Evolution. A. Present-Day Selfish DNA-Possible Origin From Transposon. IV. Nucleases and Control of DNA Transactions and Their Roles in Evolution. V. Role of Nucleases in Directed Mutagenesis: Adaptive Mutation an SOS Response. VI. Nucleases as Multifunctional Molecules. VII. DNA Sequence Analysis, Crystal Structure, and Bioinformatics. VIII. Possible Horizontal Transmission of Nuclease Gene and Intron. IX. Conclusions and Our Future in the World of Nucleases. References. Index.

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Book SynopsisVolume 1: Drug Discovery thoroughly describes conceptualizing a drug, creating a library of candidates for testing, screening those candidates for in vitro and in vivo activity, conducting and analyzing the results of clinical trials, and revising the drug as necessary.Trade Review"...provides a nice survey of most of the key topics facing discovery houses today." (Doody's Health Services) "This reasonably priced book is well-written and produced. It has a useful 32-page index, and it may be considered for acquisition by individuals and libraries." (Journal of Medicinial Chemistry, October 5, 2006)Table of ContentsContributors. Preface. 1. From Patent to Prescription: Paving the Perilous Path to Profit (Richard J. Pariza). 2. Medicinal Chemistry in the New Millennium: A Glance into the Future (Paul W. Erhardt). ADMET-Related Synergies, 59 3. Contemporary Drug Discovery (Lester A. Mitscher and Apurba Dutta). 4. Combinatorial Chemistry in the Drug Discovery Process (Ian Hughes). 5. Parallel Solution-Phase Synthesis (Norton P. Peet and Hwa-Ok Kim). 6. Timing of Analog Research in Medicinal Chemistry (János Fischer and Anikó Gere). 7. Possible Alternatives to High-Throughput Screening (Camille G. Wermuth). 8. Proteomics and Drug Discovery (Susan Dana Jones and Peter G. Warren). Appendix: Public-Domain Software Tools and Databases. 9. Using Drug Metabolism Databases During Drug Design and Development (Paul W. Erhardt). 10. Discovery of the Antiulcer Drug Tagamet (C. Robin Ganellin). 11. Discovery of Potent Nonpeptide Vasopressin Receptor Antagonists (Bruce E. Maryanoff). 12. Discovery and Development of the Ultrashort-Acting Analgesic Remifentanil (Paul L. Feldman). 13. Discovery and Development of Nevirapine (Karl Grozinger, John Proudfoot, and Karl Hargrave). 14. Applications of Nuclear Imaging in Drug Discovery and Development (John W. Babich and William C. Eckelman). 15. Polymeric Sequestrants as Nonabsorbed Human Therapeutics (Pradeep K. Dhal, Chad C. Huval, and S. Randall Holmes-Farley). 16. Botanical Immunomodulators and Chemoprotectants in Cancer Therapy (Bhushan Patwardhan, Sham Diwanay, and Manish Gautam). Index.

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Book SynopsisThis magisterial volume will be the definitive study of the economics and history of the chemical industry for many years to come. The core of the volume is a study of the process of innovation in the first industry to employ science as a basis for technology. This extends over 150 years and covers four leading countries-Britain, Germany, Japan, and the United States. . . . The book will be of interest to participants in the industry, economists, and economic historians interested in growth, business school faculty and students concerned with corporate strategy, especially the management of technical change, and finally, policymakers who create the legal and political environment within which the industry has developed.-Dale W. Jorgenson, Frederic Eaton Abbe Professor of Economics, Harvard University The chemical industry will continue to be a leading indicator of economic development in the century ahead. The research and conclusions of Ralph Landau and his colleagues captureTrade Review"Thirteen papers study how commercial technological leadership in the chemical industry has moved across countries and firms over the last century and a half, and the forces that powered this shifting leadership." (Journal of Economic Literature, Vol. 39, No. 4, December 2001)Table of ContentsORGANIZATION AND PURPOSE. Introduction (A. Arora, et al.). COUNTRY OVERVIEWS. On the Making of Competitive Advantage: The Development of the Chemical Industries of Britain and Germany Since 1850 (J. Murmann & R. Landau). Chemicals: A U.S. Success Story (A. Arora & N. Rosenberg). The Japanese Puzzle (T. Hikino, et al.). INNOVATION AT THE HEART OF THE INDUSTRY. The Process of Innovation in the Chemical Industry (R. Landau). The Impact of the Legal System on Innovation (T. Campbell & R. Landau). Technological Change in Chemicals: The Role of University-Industry Relations (N. Rosenberg). SURVEYING THE LEVELS OF THE MATRIX. The Industry Evolves Within a Political, Social, and Public Policy Context: A Brief Look at Britain, Germany, Japan, and the United States (M. Horstmeyer). Monetary, Fiscal, and Trade Policies in the Development of the Chemical Industry (B. Eichengreen). Finance and the Chemical Industry (M. Da Rin). Structure and Performance of the Chemical Industry under Regulation (K. Esteghamat). Evolution of Industry Structure in the Chemical Industry (A. Arora & A. Gambardella). The Evolution of Corporate Capability and Corporate Strategy and Structure Within the World's Largest Chemical Firms: The Twentieth Century in Perspective (A. Chandler, et al.). THE MODERN CHEMICAL INDUSTRY AND CORPORATE GOVERNANCE. Connecting Performance and Competitiveness with Finance: A Study of the Chemical Industry (A. Richards). INSIGHTS FROM THIS STUDY. Conclusions (A. Arora, et al.). About the Contributors. Index.

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Book SynopsisIn the arena of new drug development, the rate of sample generation far exceeds the rate of sample analysis. LC/MS is an analytical tool that helps the researcher select the most promising sample for scrutiny, accelerating the discovery of new drugs. This book is the first to describe in detail the procedures and benefits of LC/MS applications.Trade Review"…a comprehensive primer and will appeal to laboratory scientists and instructors in the pharmaceutical field…" (Analytical Chemistry, November 2002) "...describes...applications in each phase of drug development...provides perspective on changes in strategies for pharmaceutical analysis..." (SciTech Book News, Vol. 26, No. 2, June 2002) "...useful not only for students and scholars of analytical chemistry, but also for managers and other scientists...another fine addition to the Wiley-InterScience Series on Mass Spectrometry, it should be in the collections of all research libraries." (The Chemist, Summer 2003)Table of ContentsPreface ix Acknowledgments xi 1. Introduction 1 Emerging Analytical Needs 1 Integration of LC/MS into Drug Development 3 Partnerships and Acceptance 6 Overview 10 2. Drug Development Overview 11 Analysis Perspectives 11 The Four Stages of Drug Development 12 Drug Discovery 14 Preclinical Development 15 Clinical Development 16 Manufacturing 17 3. Accelerated Drug Development 19 Accelerated Development Strategies 20 Quantitative and Qualitative Process Elements 20 Quantitative Process Pipeline 24 Qualitative Process Pipeline 25 Motivating Factors 27 Analysis Opportunities for Accelerated Development 28 Full-Time Equivalent 28 Sample Throughput Model 29 Elimination Model 29 Rate-Determining Event Model 31 Accelerated Development Perspectives 33 4. LC/MS Development 34 The Elements of LC/MS Application 34 HPLC 35 Mass Spectrometry 35 LC/MS Interface 36 LC/MS Growth 38 5. Strategies 41 Standard Methods 43 Template Structure Identification 46 Databases 49 Screening 50 Integration 53 Miniaturization 55 Parallel Processing 56 Visualization 58 Automation 61 Summary 63 6. LC/MS Applications 65 Drug Discovery 65 Proteomics 68 Protein Expression Profiling 70 Quantitation 76 Glycoprotein Mapping 78 Natural Products Dereplication 83 Lead Identification Screening 88 Bioaffinity Screening 89 Combinatorial Library Screening 92 Open-Access LC/MS 96 Structure Confirmation 97 High Throughput 100 Purification 102 Combinatorial Mixture Screening 103 In Vivo Drug Screening 106 Pharmacokinetics 109 In Vitro Drug Screening 115 Metabolic Stability Screening 118 Membrane Permeability 119 Drug-Drug Interaction 121 Metabolite Identification 122 Preclinical Development 123 Metabolite Identification 125 Impurity Identification 132 Degradant Identification 140 Clinical Development 145 Quantitative Bioanalysis—Selected Ion Monitoring 148 Quantitative Bioanalysis—Selected Reaction Monitoring 152 Quantitative Bioanalysis—Automated Solid-Phase Extraction 156 Quantitative Bioanalysis—Automated On-Line Extraction 162 Metabolite Identification 165 Degradant Identification 168 Manufacturing 171 Impurity Identification Using Data-Dependent Analysis 173 Peptide Mapping in Quality Control 176 Patent Protection 178 7. Future Applications and Prospects 183 Workstations 183 Multidimensional Analysis 186 Miniaturization 187 Information Management 189 Strategic Outsourcing 190 Summary 191 8. Perspectives on the Future Growth of LC/MS 192 9. Conclusions 195 Glossary 197 References 205 Index 235

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Book SynopsisProvides the chemical physics field with a forum for critical, authoritative evaluations in every area of the discipline. This volume helps readers obtain general information about a variety of topics in chemical physics. It includes chapters addressing laser photoelectron spectroscopy, nonadiabatic transitions due to curve crossings, and more.Table of ContentsLaser Photoelectron Spectroscopy: Spectroscopy and Dynamics of Excited States in Small and Medium-Sized Molecules (C. De Lange). Nonadiabatic Transitions Due to Curve Crossings: Complete Solutions of the Landau-Zener-Stueckelberg Problems and Their Applications (C. Zhu, et al.). Multidimensional Raman Spectroscopy (J. Fourkas). Birefringence and Dielectric Relaxation in Strong Electric Fields (J. Déjardin, et al.). Crossover Formulas in the Kramers Theory of Thermally Activated Escape Rates -- Application to Spin Systems (W. Coffey, et al.). Author Index. Subject Index.

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Book SynopsisComprehensive look at mechanical molecular devices that mimic the behavior of man-made devices Molecular devices and molecular machines are individual molecules and molecular systems capable of providing valuable device-like functions. Many of them have distinct conventional prototypes and therefore can be identified as technomimetic molecules. The last decade has seen an increasing rate of practical applications of molecular devices and machines, primarily in biomedical and material science fields. Molecular devices: An Introduction to Technomimetics and its Biological Applications focuses on mechanical molecular devices, including the early set of technomimetic molecules. Topics covered include the many simple molecular devices such as container compounds, gearing systems, belts and tubes, and tweezers. It touches upon each molecular machine and discusses in great detail the importance of their applications as well as the latest progress in the fields oTable of ContentsPreface ix 1 Introduction 1 1.1 Technomimetics 1 1.2 Examples of Technomimetic Molecules 2 1.3 Manufacturing of TechnomimeticMolecules 11 1.4 Scope of the Book 21 References 22 2 Container Compounds 31 2.1 Introduction 31 2.2 Cavitands 35 2.3 Deep Cavitands 37 2.4 Bis-cavitands 41 2.5 Clamshell-Shaped Molecular Containers 44 2.6 Hemicarcerands 46 2.7 Cryptophanes 51 2.8 Carcerands 55 2.9 Reversible Carcerands 58 2.10 Spheriphanes 64 2.11 Fullerenes 67 2.12 Applications 79 References 82 3 Molecular Gearing Systems 97 3.1 Introduction 97 3.2 BevelMolecular Gears 99 3.3 Spur Molecular Gears 105 3.4 OrganometallicMolecular Gears 113 3.5 Molecular Brakes 122 3.6 Molecular Ratchets and Motors 130 3.7 Applications 133 References 135 4 Molecular Belts and Tubes 141 4.1 Introduction 141 4.2 True Belts 143 4.3 Pseudobelts 164 4.4 Cucurbiturils 182 4.5 Möbius and Other Twisted Molecular Belts 194 4.6 Applications 197 References 203 5 Molecular Tweezers 213 5.1 Introduction 213 5.2 Flexible Molecular Tweezers 216 5.3 Conformationally Restricted Molecular Tweezers 243 5.4 Rigid Molecular Tweezers 259 5.5 Claw Grabbers, Grippers, and Flytraps 268 5.6 Applications 274 References 292 6 Concluding Remarks 311 References 319 Index 321

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Book SynopsisThis essential primer is accessible for anyone requiring clear discussion of the cutting edge nanotechnologies used for the analysis of biological principles, and an understanding of the nanostructural basis of biology. This text provides an introduction and overview of this interdisciplinary field, merging the physical and biological sciences.Trade Review“…a stimulating volume…borrow it from your library…” (Journal of Chemical Technology and Biotechnology, Vol. 80 (8), August 2005) "…Goodsell's book is a good start." (Yale Journal of Biology and Medicine, May 2005) "David S. Goodsell's new book is a useful introduction to bionanotechnology…" (NanoToday, May 2005) “This is a stimulating volume …borrow it from your library.” (Journal of Chemical Technology and Biotechnology, 2005; Vol. 80, 964-965) “…concludes with chapters on applications, surveying some of the exciting bionanotechnology tools and techniques that are currently in development…” (CAB Abstracts, 2005) "…will quickly bring intelligent readers up to speed on the most important aspects...I enthusiastically recommend this timely and well-written book on this important, emerging field." (The Quarterly Review of Biology, December 2004) "…a wonderful introductory text for those who want to understand nanotechnology from a biological perspective…an outstanding work for the educated novice as well as for the seasoned nanotechnologist." (ASM News, October 2004) "…this book appears to be one of the only overview texts available.” (E-STREAMS, September 2004) "...best window into the nanoworld...highly readable...will not only educate students but also reach a wider audience..." (Chemistry World, August 2004) "Goodsell's fresh perspective on nanotechnology and persuasive arguments about the future of bionanotechnology have certainly made me into a believer--Bionanotechnology is going to be big!" (Biotechnology Focus, July 2004) "Bionanotechnology: Lessons from Nature is well written and informative. That alone would make it a good read for chemists. But there's a bonus: The book is full of Goodsell's unique illustrations of biomolecules and cells." (C&EN, June 14, 2004) "Written in the style of an excellent biochemistry textbook, Bionanotechnology points the reader to general principles of the biological nanoworld, and thus provides readers with guidance on the design of their own devices and systems…. I can highly recommend this book. I enjoyed reading every single page" (Nature, July 2004)Table of Contents1. The Quest for Nanotechnology. 2. Bionanomachines in Action. 3. Biomolecular Design and Biotechnology. 4. Structural Principles of Bionanotechnology. 5. Functional Principles of Bionanotechnology. 6. Bionanotechnology Today. 7. The Future of Bionanotechnology. Final Thoughts. Literature. Sources. Index.

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