Chemistry Books

Book SynopsisProviding comprehensive insight into the use of copper in cross-coupling reactions,Copper-Mediated Cross-Coupling Reactionsprovides a complete up-to-date collection of the available reactions and catalytic systems for the formation of carbon-heteroatom and carbon-carbon bonds. This essential reference covers a broad scope of copper-mediated reactions, their variations, key advances, improvements, and an array of academic and industrial applications that have revolutionized the field of organic synthesis.The text also discusses the mechanism of these transformations, the use of copper as cost-efficient alternative to palladium, as well as recently developed methods for conducting copper-mediated reactions with supported catalysts.Trade Review“The book is a key resource for copper chemistry and a must-have, for experts and students alike.” (Angewandte Chemie, 30 May 2014) Table of ContentsFOREWORD xvii Stephen L. Buchwald PREFACE: COPPER CATALYSIS FROM A HISTORICAL PERSPECTIVE: A LEGACY FROM THE PAST xix Gwilherm Evano and Nicolas Blanchard CONTRIBUTORS xxxiii PART I FORMATION OF C–HETEROATOM BONDS 1 1 Modern Ullmann–Goldberg Chemistry: Arylation of N-Nucleophiles with Aryl Halides 3 Yongwen Jiang and Dawei Ma 1.1 Introduction, 3 1.2 Arylation of Amines, 4 1.3 Arylation of Amides, Imides, and Carbamates, 15 1.4 Arylation of Conjugated N-Heterocycles, 24 1.5 Synthesis of Anilines by Coupling with Ammonia or Synthetic Equivalents, 32 1.6 Conclusion and Future Prospects, 37 References, 37 2 Ullmann Condensation Today: Arylation of Alcohols and Thiols with Aryl Halides 41 Anis Tlili and Marc Taillefer 2.1 Introduction, 41 2.2 Formation of C–O Bonds via Copper-Catalyzed Cross-Coupling Reactions with Aryl Halides, 42 2.3 Formation of C–S Bonds via Copper-Catalyzed Cross-Coupling Reactions with Aryl Halides, 67 2.4 Conclusion, 84 References, 86 3 Copper-Catalyzed Formation of C–P Bonds with Aryl Halides 93 Carole Alayrac and Annie-Claude Gaumont 3.1 Introduction, 93 3.2 Arylation of Phosphines, 94 3.3 Arylation of Phosphine Oxides and Phosphites, 98 3.4 Conclusion, 110 References, 110 4 Alternative and Emerging Reagents for the Arylation of Heteronucleophiles 113 Luc Neuville 4.1 Introduction, 113 4.2 Chan–Lam–Evans Coupling: Copper(II)-Promoted Oxidative Aryl Transfer from Arylboron Derivatives, 115 4.3 Copper-Promoted Aryl Transfer from Metallated Aryl Derivatives (Nonboron), 141 4.4 Copper-Catalyzed Arylation Reactions Involving Masked S- and N-Nucleophiles, 151 4.5 Copper-Catalyzed Direct Heterofunctionalization of Aromatic C–H Bonds, 160 4.6 Conclusion and Future Prospects, 178 References, 178 5 Beyond Ullmann–Goldberg Chemistry: Vinylation, Alkynylation, and Allenylation of Heteronucleophiles 187 Kévin Jouvin and Gwilherm Evano 5.1 Introduction, 187 5.2 Copper-Mediated Alkenylation of Heteronucleophiles: Among the Best Routes to Heteroatom-Substituted Alkenes, 189 5.3 Alkynylation of Heteronucleophiles: The Emergence of General Methods for the Synthesis of Heteroatom-Substituted Alkynes, 219 5.4 Allenylation of Heteronucleophiles: New Tools for the Synthesis of Allenamides, 232 5.5 Conclusion and Future Prospects, 233 References, 234 6 Aromatic/Vinylic Finkelstein Reaction 239 Alicia Casitas and Xavi Ribas 6.1 Introduction, 239 6.2 Copper-Mediated Halogen Exchange Reactions in Aryl Halides, 241 6.3 Most Recent Developments and Overview, 247 References, 249 7 Insights into the Mechanism of Modern Ullmann–Goldberg Coupling Reactions 253 Alicia Casitas and Xavi Ribas 7.1 General View and Key Mechanistic Aspects, 253 7.2 Oxidation State of Copper Catalysts, 254 7.3 Identity of the Active Copper(I) Complex, 255 7.4 Activation Mode of Aryl Halides by Copper Complexes, 261 7.5 Overview, Conclusions, and Future Prospects, 275 References, 277 PART II FORMATION OF C–C BONDS 281 8 Modern Copper-Catalyzed Hurtley Reaction: Efficient C-Arylation of CH-Acid Derivatives 283 Irina P. Beletskaya and Alexey Yu. Fedorov 8.1 Introduction, 283 8.2 Classical Hurtley Reaction, 285 8.3 Ligation Effect in Copper-Catalyzed Reactions of Aryl Halides with Carbanions, 286 8.4 Cascade Reactions Proceeding via a Hurtley Arylation Reaction, 293 8.5 Mechanism of the Copper-Catalyzed C-Arylation Reactions, 303 8.6 Concluding Remarks, 308 References, 308 9 Copper-Catalyzed Cyanations of Aryl Halides and Related Compounds 313 Thomas Schareina and Matthias Beller 9.1 Introduction, 313 9.2 Modifications and Updates of Classical Cyanation Reactions (Rosenmund–von Braun, Sandmeyer), 315 9.3 Copper-Catalyzed Cyanations of Aryl Halides, 316 9.4 Copper-Mediated Oxidative Cyanations, 324 9.5 Conclusion, 331 References, 331 10 Copper-Mediated Aryl–Aryl Bond Formation Leading to Biaryls: A Century after the Ullmann Breakthrough 335 Yoshihiko Yamamoto 10.1 Introduction, 335 10.2 Biaryl Synthesis by Coupling of Aryl Halides and Diazonium Salts, 336 10.3 Biaryl Synthesis by Coupling of Aryltin, Boron, and Silanes, 347 10.4 Biaryl Synthesis by Arylation Involving Arene C–H or C–C Bond Fission, 357 10.5 Biaryl Synthesis by Oxidative Coupling of 2-Naphthols, 376 10.6 Conclusions and Outlook, 387 References, 388 11 Copper-Catalyzed Alkynylation, Alkenylation, and Allylation Reactions of Aryl Derivatives 401 Ren-Jie Song and Jin-Heng Li 11.1 Introduction, 401 11.2 Copper-Catalyzed Alkynylation of Aryl Derivatives, 402 11.3 Copper-Catalyzed Alkenylation of Aryl Derivatives, 432 11.4 Copper-Catalyzed Strategies for the Formation of Allyl–Aryl Bonds, 445 11.5 Conclusion and Outlook, 450 References, 450 12 Copper-Catalyzed Alkynylation and Alkenylation Reactions of Alkynyl Derivatives: New Access to Diynes and Enynes 455 Ruimao Hua 12.1 Introduction, 455 12.2 Copper-Catalyzed Synthesis of Symmetrical and Unsymmetrical 1,3-Diynes, 456 12.3 Copper-Catalyzed Synthesis of 1,4-Diynes, 468 12.4 Synthesis of 1,3-Enynes by Direct Reaction of Vinyl Halides with Alkynes, 468 12.5 Synthesis of 1,3-Enynes by Stille-Type Cross-Coupling Reaction, 474 12.6 Synthesis of 1,3-Enynes by the Suzuki–Miyaura-Type Cross-Coupling Reaction, 476 12.7 Synthesis of 1,4-Enynes by Allylation Reaction of Terminal Alkynes, 478 12.8 Conclusion, 480 References, 480 13 Copper-Mediated Alkenylation Reaction of Alkenyl Derivatives: A Straightforward Elaboration of 1,3-Dienes 485 Hao Li, Songbai Liu, and Lanny S. Liebeskind 13.1 Introduction, 485 13.2 Symmetrical 1,3-Dienes by Homocoupling Reaction of Vinyl Derivatives, 486 13.3 Unsymmetrical 1,3-Dienes by Cross-Coupling Reactions, 496 13.4 Conclusions, 510 References, 511 14 Emerging Areas in Copper-Mediated Trifl uoromethylations of Aryl Derivatives: Catalytic and Oxidative Cross-Coupling Processes 515 Kévin Jouvin, Céline Guissart, Cédric Theunissen, and Gwilherm Evano 14.1 Introduction, 515 14.2 Copper-Catalyzed Trifluoromethylation of Aryl Halides: A Long-Lasting Quest Finally Reached, 517 14.3 Copper-Mediated Oxidative Trifl uoromethylation Reactions, 523 14.4 Conclusion and Future Prospects, 528 References, 528 PART III APPLICATIONS OF COPPER-CATALYZED CROSS-COUPLING REACTIONS: HETEROCYCLES, NATURAL PRODUCTS, PROCESS, AND SUSTAINABLE CHEMISTRY 531 15 Copper-Mediated Cyclization Reactions: New Entries to Heterocycles 533 Daoshan Yang and Hua Fu 15.1 Introduction, 533 15.2 Cyclization by C–N Bond Formation, 534 15.3 Cyclization by C–O Bond Formation, 560 15.4 Cyclization by C–C Bond Formation, 567 15.5 Copper-Catalyzed Double Cross-Coupling Reactions for the Assembly of Heterocycles, 576 15.6 Conclusion and Future Prospects, 583 References, 584 16 Application of Copper-Mediated C–N Bond Formation in Complex Molecules Synthesis 589 Jihoon Lee and James S. Panek 16.1 Introduction, 589 16.2 Aryl Amination in Complex Molecule Synthesis, 590 16.3 Aryl Amidation in Complex Molecule Synthesis, 595 16.4 Arylation of N-Heterocycles in Complex Molecule Synthesis, 601 16.5 Vinyl Amidation in Complex Molecule Synthesis, 606 16.6 Alkyne Amidation in Complex Molecule Synthesis, 620 16.7 Intramolecular C–N Bond Formation in Natural Product Synthesis, 622 16.8 Summary and Outlook, 637 References, 638 17 Natural Products and C–O/C–S Bond-Forming Reactions: Copper Showed the Way 643 Doron Pappo 17.1 Introduction, 643 17.2 Total Synthesis of Naturally Occurring Diaryl Ethers by Arylation of Phenols, 644 17.3 Intramolecular Diaryl Ether Bond-Forming Reactions, 659 17.4 Arylation of Alcohols, 666 17.5 Vinylation of Alcohols, 673 17.6 Copper-Mediated C–S Bond Formation in Natural Product Synthesis, 675 17.7 Conclusion and Future Prospects, 677 References, 678 18 Copper-Catalyzed C–C Bond Formation in Natural Product Synthesis: Elegant and Efficient Solutions to a Key Bond Disconnection 683 Morgan Donnard and Nicolas Blanchard 18.1 Introduction, 683 18.2 Natural Biaryls by Copper-Catalyzed Cross Coupling, 684 18.3 Copper-Catalyzed 1,3-Enyne Formation, 691 18.4 Copper-Mediated Synthesis of Dienes, Trienes, and Extended Polyenes, 694 18.5 Copper-Catalyzed Synthesis of 1,N-Polyynes Natural Products, 711 18.6 Conclusions and Future Prospects, 718 References, 719 19 Process Chemistry and Copper Catalysis 725 Klaus Kunz and Norbert Lui 19.1 Introduction and Scope, 725 19.2 Copper versus Palladium, 727 19.3 Applications, 727 19.4 Conclusion, 739 References, 740 20 Reusable Catalysts for Copper-Mediated Cross-Coupling Reactions under Heterogeneous Conditions 745 Zhiyong Wang, Changfeng Wan, and Ye Wang 20.1 Introduction, 745 20.2 Copper Nanoparticle-Catalyzed Cross-Coupling Reactions, 746 20.3 Supported Copper-Catalyzed Cross-Coupling Reaction, 766 20.4 Conclusion, 780 References, 780 INDEX 785

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Book SynopsisThis introductory text is an important resource for new engineers, chemists, students, and chemical industry personnel to understand the technical aspects of polypropylene which is the 2nd largest synthetics polymer in manufactured output. The book considers the following topics: What are the principal types of polypropylene and how do they differ? What catalysts are used to produce polypropylene and how do they function? What is the role of cocatalysts and how have they evolved over the years? How are industrial polypropylene catalysts tested and the resultant polymer evaluated? What processes are used in the manufacture of polypropylene? What are the biopolymer alternatives to polypropylene? What companies are the major industrial manufacturers of polypropylene? What is the environmental fate of polypropylene? Table of ContentsList of tables xiii List of figures xv Preface ix 1 Introduction to Polymers of Propylene 1 1.1 Origins of Crystalline Polypropylene 1 1.2 Basic Description of Polypropylene 4 1.3 Types and Nomenclature of Polypropylene 9 1.4 Molecular Weight of Polypropylene 12 1.5 Transition Metal Catalysts for Propylene Polymerization 15 1.6 Questions 17 References 18 2 Polymer Characterization 19 2.1 Introduction 19 2.2 Polymer Tacticity 24 2.3 Molecular Weight and Molecular Weight Distribution 36 2.4 Polymer Bulk Density 48 2.5 Particle Size Distribution and Morphology 50 2.6 Questions 54 References 55 3 Ziegler-Natta Catalysts 59 3.1 A Brief History of Ziegler-Natta Catalysts 59 3.2 Definitions and Nomenclature 61 3.3 Characteristics of Ziegler-Natta Catalysts 63 3.4 Early Commercial Ziegler-Natta Catalysts 65 3.5 Supported Ziegler-Natta Catalysts 67 3.6 Prepolymerized Ziegler-Natta Catalysts 68 3.7 Mechanism of Ziegler-Natta Polymerization 69 3.8 Questions and Exercises 73 References 73 4 Propylene Polymerization Catalysts 75 4.1 Introduction 75 4.2 Zero Generation Ziegler-Natta Catalysts 77 4.3 First Generation ZN Catalysts 79 4.4 Second Generation ZN Catalysts 82 4.5 Third Generation ZN Catalysts 84 4.6 Fourth Generation ZN Catalysts 86 4.7 Fifth Generation ZN Catalysts 89 4.8 ZN Catalysts for Atactic Polypropylene 92 4.9 Metallocenes and Other Single Site Catalysts 93 4.10 Cocatalysts for ZN Catalysts 94 4.11 Kinetics and ZN Catalyst Productivity 99 4.12 Concluding Remarks 102 4.13 Questions 102 References 105 5 Aluminum Alkyls in Ziegler-Natta Catalysts 111 5.1 Organometallic Compounds 111 5.2. Characteristics of Aluminum Alkyls 113 5.3 Production of Aluminum Alkyls 122 5.4 Reducing Agent for the Transition Metal 126 5.5 Alkylating Agent for Creation of Active Centers 127 5.6 Scavenger of Catalyst Poisons 128 5.7 Chain Transfer Agent 129 5.8 Questions 129 References 130 6 Single Site Catalysts and Cocatalysts 133 6.1 Introduction 133 6.2 The Structures of Metallocenes and SSCs 134 6.3 Non-Metallocene Polymerization Catalysts 138 6.4 Cocatalysts for SSCs 139 6.5 Supports for SSCs 143 6.6 Characteristics of mPP 145 6.7 Selected Applications of mPP Resins 148 6.8 Metallocene Synthesis 150 6.9 Syndiotactic Polypropylene 152 6.10 Commercial Reality and Concluding Remarks 154 6.11 Questions 155 References 156 7 Catalyst Manufacture 163 7.1 Introduction 163 7.2 Development of the Manufacturing Process 163 7.3 Chemistry of Catalyst Manufacture 164 7.4 Raw Materials Storage and Handling 166 7.5 Catalyst Preparation 167 7.6 Catalyst Drying 169 7.7 Catalyst Packaging 169 7.8 Recovery and Recycle of Spent Solvents 170 7.9 Prepolymerization at the Catalyst Manufacturing Plant 172 7.10 Plant Size 172 7.11 Site Safety 172 7.12 Quality Control and Specifications 174 7.13 Diagram of a Hypothetical Plant 174 7.14 Custom Manufacture 176 7.15 Brief Consideration of Metallocene Catalyst Manufacture 178 7.16 Concluding Remarks 179 7.17 Questions 179 References 180 8 An Overview of Industrial Polypropylene Processes 183 8.1 Introduction 183 8.2 Slurry (Suspension) Processes 188 8.3 Bulk ("Liquid Pool") Process 189 8.4 "Loop Slurry" Process (Chevron Phillips Chemical) 189 8.5 Gas Phase Processes 190 8.6 Solution process 194 8.7 Hybrid Processes 194 8.8 Kinetics and Reactivity Ratios 1968.9 Emergency Stoppage of Polymerization 1988.10 Questions 199References 199 9 Laboratory Catalyst Synthesis 201 9.1 Introduction 201 9.2 General Synthesis Requirements 202 9.3 Equipment Requirements 202 9.4 Synthesis Schedule 207 9.5 Handling TiCl4 208 9.6 Handling Diethylaluminum Chloride 209 9.7 Spent Liquids 209 9.8 Synthetic Procedure for Fourth Generation Supported Catalyst 210 9.9 Synthetic Procedure for Second Generation Precipitated TiCl3 Catalyst 211 9.10 Catalyst Analysis 213 9.11 Questions 213 References 214 10 Polymerization Catalyst Testing 217 10.1 Introduction 217 10.2 Facility Requirements 219 10.3 The Autoclave 221 10.4 Key Equipment Items 224 10.5 Raw Materials 225 10.6 Polymerization Conditions 227 10.7 Autoclave Preparation 228 10.8 Polymerization Test Procedure 228 10.9 Reproducibility 230 11 Downstream Aspects of Polypropylene 235 11.1 Introduction 235 11.2 Additives 236 11.3 Fabrication Methods 242 11.4 Biopolymers 244 11.5 Environmental 248 11.6 Questions 254 References 255 12 Overview of Polypropylene Markets 257 12.1 Introduction 257 12.2 The Supply Chain for Polypropylene 258 12.3 The Global Polypropylene Market 261 12.4 Questions 269 References 269 13 The Future of Polypropylene 271 13.1 Introduction 271 13.2 Key Growth Markets for Polypropylene 272 13.3 Polypropylene and Free Markets 274 13.4 Questions 278 References 279 Appendix A 281 Appendix B 299 Appendix C 317 Index 000

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Book SynopsisExplores the benefits and limitations of the latest high-throughput screening methods With its expert coverage of high-throughput in vitro screening methods for toxicity testing, this book makes it possible for researchers to accelerate and streamline the evaluation and risk assessment of chemicals and drugs for toxicity. Moreover, it enables them to comply with the latest standards set forth by the U.S. National Research Council''s Toxicity Testing in the 21st Century: A Vision and Strategy and the E.U.''s REACH legislation. Readers will discover a variety of state-of-the-science, high-throughput screening methods presented by a group of leading authorities in toxicology and toxicity testing. High-Throughput Screening Methods in Toxicity Testing is divided into five parts: General aspects, including predicting the toxicity potential of chemicals and drugs via high-throughput bioactivity profiling Assessing different cytotoxicTable of ContentsPREFACE ix CONTRIBUTORS xi PART I GENERAL ASPECTS 1 ToxCast: Predicting Toxicity Potential Through High-Throughput Bioactivity Profiling 3 Keith A. Houck, Ann M. Richard, Richard S. Judson, Matthew T. Martin, David M. Reif, and Imran Shah 2 High-Throughput Toxicity Testing in Drug Development: Aims, Strategies, and Novel Trends 33 Willem G.E.J. Schoonen, Walter M.A. Westerink, Femke M. van de Water, and Horbach G. Jean 3 Incorporating Human Dosimetry and Exposure Information with High-Throughput Screening Data in Chemical Toxicity Assessment 77 Barbara A. Wetmore and Russell S. Thomas 4 The Use of Human Embryonic Stem Cells in High-Throughput Toxicity Assays 97 Xin Huang, Dan-yan Zhu, and Yi-jia Lou PART II HIGH-THROUGHPUT ASSAYS TO ASSESS DIFFERENT CYTOTOXICITY ENDPOINTS 5 High-Throughput Screening Assays for the Assessment of Cytotoxicity 109 Andrew L. Niles, Richard A. Moravec, Tracy J. Worzella, Nathan J. Evans, and Terry L. Riss 6 High-Throughput Flow Cytometry Analysis of Apoptosis 129 Francesca de Giorgi and Franc¸ois Ichas 7 High Content Imaging-Based Screening for Cellular Toxicity Pathways 143 Bram Herpers and Bob van de Water 8 The Keratinosens Assay: A High-Throughput Screening Assay to Assess Chemical Skin Sensitization 159 Andreas Natsch 9 High-Throughput Screening Assays to Assess Chemical Phototoxicity 177 Satomi Onoue, Yoshiki Seto, and Shizuo Yamada PART III HIGH-THROUGHPUT ASSAYS TO ASSESS DNA DAMAGE AND CARCINOGENESIS 10 Ames IITM and Ames Liquid Format Mutagenicity Screening Assays 193 Kamala Pant 11 High-Throughput Bacterial Mutagenicity Testing: VitotoxTM Assay 213 Luc Verschaeve 12 Genotoxicity and Carcinogenicity: Regulatory and Novel Test Methods 233 Walter M.A. Westerink, Joe C.R. Stevenson, G. Jean Horbach, Femke M. van de Water, Beppy van de Waart, and Willem G.E.J. Schoonen 13 High-Throughput Genotoxicity Testing: The Greenscreen Assay 271 Jorg Blumel and Nadine Krause 14 High-Throughput Assays to Quantify the Formation of DNA Strand Breaks 285 Marýa Moreno-Villanueva and Alexander Burkle 15 High-Throughput Versions of the Comet Assay 295 Irene Witte and Andre Stang 16 Automated Soft Agar Colony Formation Assay for the High-Throughput Screening of Malignant Cell Transformation 309 Pablo Steinberg 17 High-Throughput Quantification of Morphologically Transformed Foci in Bhas 42 Cells (v-Ha-ras Transfected BALB/c 3T3) Using Spectrophotometry 317 Kiyoshi Sasaki, Ayako Sakai, and Noriho Tanaka PART IV HIGH-THROUGHPUT ASSAYS TO ASSESS REPRODUCTIVE TOXICITY, CARDIOTOXICITY, AND HAEMATOTOXICITY 18 ReProGlo: A New Stem-Cell-Based High-Throughput Assay to Predict the Embryotoxic Potential of Chemicals 343 Frederik Uibel and Michael Schwarz 19 Embryonic Stem Cell Test (EST): Molecular Endpoints Toward High-Throughput Analysis of Chemical Embryotoxic Potential 357 Peter T. Theunissen, Esther de Jong, Joshua F. Robinson, and Aldert H. Piersma 20 Zebrafish Development: High-Throughput Test Systems to Assess Developmental Toxicity 371 Stephanie Padilla 21 Single Cell Imaging Cytometry-Based High-Throughput Analysis of Drug-Induced Cardiotoxicity 385 Min Jung Kim and Joon Myong Song 22 High-Throughput Screening Assays to Evaluate the Cardiotoxic Potential of Drugs 403 Carl-Fredrik Mandenius and Thomas Meyer 23 High-Throughput Screening Assays to Evaluate the Hematotoxic Potential of Drugs 421 Caroline Haglund, Rolf Larsson, and Martin Hoglund PART V HIGH-THROUGHPUT ASSAYS TO ASSESS DRUG METABOLISM AND RECEPTOR-RELATED TOXICITY 24 High-Throughput Enzyme Biocolloid Systems for Drug Metabolism and Genotoxicity Profiling Using LC–MS/MS 433 James F. Rusling and John Schenkman 25 Higher-Throughput Screening Methods to Identify Cytochrome P450 Inhibitors and Inducers: Current Applications and Practice 453 David M. Stresser and George Zhang 26 High-Throughput Yeast-Based Assays to Study Receptor-Mediated Toxicity 479 Johanna Rajasarkka and Marko Virta 27 Evaluating the Peroxisomal Phenotype in High Content Toxicity Profiling 501 Jonathan Z. Sexton and Kevin P. Williams 28 A Panel of Quantitative Calux R Reporter Gene Assays for Reliable High-Throughput Toxicity Screening of Chemicals and Complex Mixtures 519 Bart van der Burg, Sander van der Linden, Hai-yen Man, Roos Winter, Lydia Jonker, Barbara van Vugt-Lussenburg, and Abraham Brouwer 29 DR-Calux R : A High-Throughput Screening Assay for the Detection of Dioxin and Dioxin-Like Compounds in Food and Feed 533 Barbara van Vugt-Lussenburg, Harrie T. Besselink, Bart van der Burg, and Abraham Brouwer INDEX 547

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Book SynopsisThis book introduces multi-catalyst systems by describing their mechanism and advantages in asymmetric catalysis.Table of ContentsPreface xi Contributors xiv 1 Toward Ideal Asymmetric Catalysis 1 Jian Zhou and Jin-Sheng Yu 1.1 Introduction 1 1.2 Challenges to Realize Ideal Asymmetric Catalysis 7 1.3 Solutions 13 1.4 Borrow Ideas from Nature 22 1.5 Conclusion 32 References 32 2 Multicatalyst System 37 Zhong-Yan Cao Feng Zhu and Jian Zhou 2.1 Introduction 37 2.2 Models of Substrate Activation 42 2.2.1 The Activation of Electrophiles 43 2.2.2 The Activation of Nucleophiles 54 2.2.3 SOMO Catalysis 64 2.3 Early Examples of the Application of Multicatalyst System in Asymmetric Catalysis 66 2.4 A General Introduction of Multicatalyst-Promoted Asymmetric Reactions 85 2.5 Classification of Multicatalyst-Promoted Asymmetric Reactions 95 2.6 Challenges and Possible Solutions 97 2.7 Multicatalyst System Versus Multifunctional Catalyst 103 2.8 Multicatalyst System Versus Additives-Enhanced Catalysis 105 2.9 Additive-Enhanced Catalysis 107 2.9.1 Nitrogen-containing Organobase 109 2.9.2 Inorganic Bases 111 2.9.3 H2O 114 2.9.4 Molecular Sieves and Dehydrators 120 2.9.5 N-oxide P-oxide and As-oxide 125 2.9.6 Alcohols and Phenols 129 2.9.7 Ammonium Halides and Metal Halides 133 2.9.8 Amides 137 2.9.9 Brønsted Acids and Lewis Acids 140 2.9.10 Two or More Additives Together 144 2.10 Conclusion 147 References 148 3 Asymmetric Multifunctional Catalysis 159 Jin-Sheng Yu and Jian Zhou 3.1 Introduction 159 3.2 Asymmetric Multifunctional Organocatalysis 164 3.2.1 H-Bond Donor–Tertiary Amine Catalysis 165 3.2.2 H-Bond Donor–Enamine Catalysis 193 3.2.3 H-Bond Donor–Phase Transfer Catalysis 203 3.2.4 H-Bond Donor–Tertiary Phosphine Catalysis 209 3.2.5 Chiral Phosphoric Acid Catalysis 214 3.2.6 Asymmetric Bifunctional Salt Catalysis 217 3.2.7 Miscellaneous 222 3.3 Asymmetric Hybrid Organo/Metal Catalysis 227 3.3.1 Brønsted Base/Lewis Acid Bifunctional Catalysis 228 3.3.2 Lewis Base/Lewis Acid Bifunctional Catalysis 233 3.3.3 Brønsted Acid/Lewis Acid Bifunctional Catalysis 236 3.3.4 Enamine/Lewis Acid Bifunctional Catalysis 238 3.3.5 Hemilable Trisoxazolines 240 3.4 Asymmetric Multifunctional Multimetallic Catalysis 242 3.4.1 Asymmetric Multifunctional Heteromultimetallic Catalysis 243 3.4.2 Asymmetric Multifunctional Homomultimetallic Catalysis 251 3.5 Anion-Enabled Bifunctional Asymmetric Catalysis 259 3.5.1 Ammonium Fluorides or Metal Fluorides 262 3.5.2 Metal Phosphates 265 3.5.3 Metal Carboxylates 265 3.5.4 Ammonium or Metal Aryloxides 269 3.5.5 Hydroxides and Alkoxides 271 3.5.6 Metal Amides 276 3.6 Conclusion 277 References 277 4 Asymmetric Cooperative Catalysis 291 Long Chen Yun-Lin Liu and Jian Zhou 4.1 Introduction 291 4.2 Catalytic Asymmetric Michael Addition Reaction 292 4.2.1 Combining Multiple Metal Catalysts 292 4.2.2 Combining Two Distinct Organocatalysts 293 4.2.3 Combining Metal Catalyst with Organocatalyst 297 4.3 Catalytic Asymmetric Mannich Reaction 299 4.3.1 Combining Lewis Acid Catalyst and Brønsted Base Catalyst 300 4.3.2 Combining Brønsted Acid Catalyst and Lewis Acid Catalyst 301 4.3.3 Combining Brønsted Acid Catalyst and Secondary Amine Catalyst 303 4.4 Catalytic Asymmetric Conia-Ene Reaction 304 4.4.1 Combining Chiral Lewis Acid and Achiral Lewis Acid 304 4.4.2 Combining Chiral Brønsted Base and Achiral Lewis Acid 306 4.5 Catalytic Asymmetric Umpolung Reaction 307 4.5.1 Combining NHC Catalyst and Lewis Acid Catalyst 307 4.5.2 Combining NHC Catalyst and Brønsted Acid Catalyst 313 4.6 Catalytic Asymmetric Cyanosilylation Reaction 315 4.7 α-Alkylation Reaction of Carbonyl Compounds 317 4.7.1 α-Alkylation of Carbonyl Compounds using Alcohols as Alkylation Reagents 317 4.7.2 α-Alkylation of Carbonyl Compounds through Benzylic C H Bond Oxidation 325 4.8 Catalytic Asymmetric Allylic Alkylation Reaction 326 4.8.1 Combining Achiral Transition Metal with Chiral LUMO-Lowering Catalysis 327 4.8.2 Combining Chiral Transition Metal Catalysis with Achiral Organocatalyst 331 4.9 Catalytic Asymmetric Aldol-Type Reaction 335 4.10 Catalytic Asymmetric (Aza)-Morita–Baylis–Hillman Reaction 338 4.10.1 Chiral Lewis Base/Achiral Acid Cocatalyzed (aza)-MBH Reaction 341 4.10.2 Achiral Lewis Base/Chiral Acid Cocatalyzed (aza)-MBH Reaction 342 4.11 Catalytic Asymmetric Hydrogenation Reaction 346 4.12 Catalytic Asymmetric Cycloaddition Reaction 350 4.12.1 [2 + 2] Reaction 351 4.12.2 [4 + 2] Reaction 352 4.13 Catalytic Asymmetric N H Insertion Reaction 356 4.14 Catalytic Asymmetric α-Functionalization of Aldehydes 358 4.15 Miscellaneous Reaction 360 4.16 Conclusion 364 References 365 5 Asymmetric Double Activation Catalysis by Multicatalyst System 373 Long Chen Zhong-Yan Cao and Jian Zhou 5.1 Introduction 373 5.2 Double Activation by Aminocatalysis and Lewis Base Catalysis 374 5.3 Asymmetric Double Primary Amine and Brønsted Acid Catalysis 378 5.3.1 Diels–Alder (DA)Reaction 379 5.3.2 Michael Addition 379 5.3.3 Epoxidation 386 5.3.4 Miscellaneous Reaction 390 5.4 Asymmetric Double Metal and Brønsted Base Catalysis 391 5.4.1 [3 + 2] Cycloaddition 392 5.4.2 Aldol Reaction 396 5.4.3 Miscellaneous Reactions 399 5.5 Asymmetric H-Bond Donor Catalysis and Lewis Base Catalysis 401 5.6 Sequential Double Activation Catalysis 404 5.7 Conclusion 408 References 408 6 Asymmetric Assisted Catalysis by Multicatalyst System 411 Xing-Ping Zeng and Jian Zhou 6.1 Introduction 411 6.2 Asymmetric Assisted Catalysis within Acids and Bases 414 6.2.1 Acid Assisted Acid Catalysis 415 6.2.2 Base Assisted Brønsted Acid Catalysis 433 6.2.3 Lewis Base Assisted Brønsted Base Catalysis 435 6.2.4 Acid Assisted Base Catalysis 437 6.2.5 Miscellaneous 439 6.3 Modulation of a Metal Complex by a Chiral Ligand 443 6.3.1 Modulation of a Chiral Metal Complex with a Chiral Ligand 444 6.3.2 Asymmetric Deactivation Activation and Deactivation/Activation 451 6.3.3 Asymmetric Activation of Racemic Catalysts Bearing Tropos Ligand 460 6.4 Supramolecular-Type Assisted Catalysis 462 6.5 Conclusion 469 References 469 7 Asymmetric Catalysis Facilitated by Photochemical or Electrochemical Methods 475 Zhong-Yan Cao and Jian Zhou 7.1 Introduction 475 7.2 Catalytic Asymmetric Reaction Facilitated by Photochemical Method 476 7.2.1 Asymmetric Oxidation Reactions 477 7.2.2 α-Functionalization of Tertiary Amines 479 7.2.3 α-Functionalization of Aldehydes 482 7.2.4 [2 + 2] Photocycloaddition Reaction 488 7.2.5 Miscellaneous Reactions 489 7.3 Catalytic Asymmetric Reactions Facilitated by Electrochemical Method 493 7.4 Conclusion 497 References 498 8 Multicatalyst System Realized Asymmetric Tandem Reactions 501 Feng Zhou Yun-Lin Liu and Jian Zhou 8.1 Introduction 501 8.1.1 Basic Models of MSRATR 502 8.1.2 Challenges and Solutions for the Development of MSRATR 507 8.2 Multicatalyst Systems of Homocombination 509 8.2.1 By Multiple Metal Catalysts 509 8.2.2 By Multiple Organocatalysts 522 8.2.3 By Multiple Enzymes 558 8.3 Hetero Combination System Realized MSRATR 566 8.3.1 By Combination of Metal and Organocatalysts 566 8.3.2 By Combination of Metal Catalysis and Biocatalysis 604 8.3.3 By Combination of Organocatalysis and Biocatalysis 620 8.4 Conclusion 622 References 623 9 Waste-Mediated Reactions 633 Jian Zhou and Xing-Ping Zeng 9.1 Introduction 633 9.2 Historical Background 636 9.3 Waste-Promoted Single Reactions 637 9.3.1 Waste Act as a Brønsted Base 638 9.3.2 By-product as Lewis Base 649 9.4 By-Products as Acidic Promoter 653 9.5 Waste-Promoted Tandem Reactions 654 9.6 Waste-Catalyzed Tandem Reactions 657 9.7 Conclusions 666 References 667 10 Multicatalyst System Mediated Asymmetric Reactions in Total Synthesis 671 Yun-Lin Liu and Jian Zhou 10.1 Introduction 671 10.2 Application of Multicatalyst System Mediated Single Reactions 672 10.3 Application of Multicatalyst Mediated Tandem Reaction 677 10.4 Conclusion 685 References 686 Index 689

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Book SynopsisThere is a growing interest in the use of nanoparticles modified with DNAs, viruses, peptides and proteins for the rational design of nanostructured functional materials and their use in biosensor applications. The challenge is to control the organization of biomolecules on nanoparticles while retaining their biological activity as potential chemical and gene therapeutics. These noble metal nanoparticles/biomolecules conjugates have specific properties and therefore they are attractive materials for nanotechnology in biochemistry and medicine. In this book, the author review work performed dealing with the DNA structure and functionalities, interactions between DNA, noble metal nanoparticles, surface active agents, solvents and other additives. Particular attention is given to how the DNA''s chain length and the DNA conformation affect the interaction and structure of the nanoconjugates and nanostructures that are formed. Also discussed are the recent advances in the preparatTable of ContentsAcknowledgement ix Preface xi 1 Introduction 1 2 Nucleic Acids 29 2.1 DNA/RNA Basics 29 2.2 Aptamers, Telomers and Oligonucleotides 50 2.3 Techniques and Approaches 63 2.4 DNA-Based Molecular Nanomachines 90 2.5 Peptide Nucleic Acid 104 2.6 Nanobiotechnology 112 3 Noble Metal Nanoparticles 121 3.1 Preparation and Modification 121 3.2 Optical and Physical Properties 137 3.3 Conjugates 144 4 DNA-Based Conjugates 149 4.1 General 149 4.2 Condensation 152 4.3 Conjugates 170 5 DNA-Noble Metal Nanoparticle Conjugates 173 5.1 General Approaches 173 5.2 DNA Monomers and Oligomers 178 5.2.1 Gold Nanoparticles 178 5.2.2 Silver Nanoparticles 207 5.3 Hybridization and Denaturation 224 5.4 DNA Biotemplates 273 6 DNA-Gold Nanoparticle Conjugates 281 6.1 DNA-Gold Zero-Dimensional Nanoparticle Conjugates 281 6.2 DNA One-Dimensional Gold Nanoparticle Conjugates 295 7 PNA-Noble Metal Nanoparticles Conjugates 315 7.1 PNA-Gold Nanoparticle Conjugates 315 7.2 PNA-Silver Nanoparticle Conjugates 328 8 DNA-Silver Nanoparticles Conjugates 335 9 The Structure of DNA-Noble Metal Nanoparticles Conjugates 345 9.1 Configuration of DNA-Noble Metal Nanoparticles Conjugates 345 9.2 Stabilization of DNA Conjugates 358 9.3 Nanostructures and Nanoconstructs 369 9.4 Colorimetric and Sensing Assays 385 10 Photochemical and Photophysical Events 403 10.1 Noble Metal Nanoparticles 403 10.2 DNA Nucleobases 406 10.3 DNA/PNA 417 10.4 DNA-Dyes Conjugates 429 10.5 DNA-AuNP-Dye Conjugates 443 10.6 DNA-Gold Nanoparticle Conjugates 455 10.7 DNA-AgNPs 465 10.8 Hot Gold Nanoparticles 475 11 Nanoparticle Therapeutics 481 11.1 Biodecorated Nanoparticle-Based Therapies 481 11.2 Photothermal Therapy 489 11.3 Cells 495 11.4 Gene Therapy 499 11.5 Blood Fluid Effect 505 11.6 Other Application Approaches 507 12 Conclusion 515 Nomenclature 533 DNA Entities 545 Vocabulary and Definitions 549 References 564 Index

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Book SynopsisSets the stage for the design and application of new protein cages Featuring contributions from a team of international experts in the coordination chemistry of biological systems, this book enables readers to understand and take advantage of the fascinating internal molecular environment of protein cages. With the aid of modern organic and polymer techniques, the authors explain step by step how to design and construct a variety of protein cages. Moreover, the authors describe current applications of protein cages, setting the foundation for the development of new applications in biology, nanotechnology, synthetic chemistry, and other disciplines. Based on a thorough review of the literature as well as the authors'' own laboratory experience, Coordination Chemistry in Protein Cages Sets forth the principles of coordination reactions in natural protein cages Details the fundamental design of coordination sites of small artificial metTable of ContentsForeword xiii Preface xv Contributors xvii PART I COORDINATION CHEMISTRY IN NATIVE PROTEIN CAGES 1 The Chemistry of Nature’s Iron Biominerals in Ferritin Protein Nanocages 3 Elizabeth C. Theil and Rabindra K. Behera 1.1 Introduction 3 1.2 Ferritin Ion Channels and Ion Entry 6 1.2.1 Maxi- and Mini-Ferritin 6 1.2.2 Iron Entry 7 1.3 Ferritin Catalysis 8 1.3.1 Spectroscopic Characterization of -1,2 Peroxodiferric Intermediate (DFP) 8 1.3.2 Kinetics of DFP Formation and Decay 12 1.4 Protein-Based Ferritin Mineral Nucleation and Mineral Growth 13 1.5 Iron Exit 16 1.6 Synthetic Uses of Ferritin Protein Nanocages 17 1.6.1 Nanomaterials Synthesized in Ferritins 18 1.6.2 Ferritin Protein Cages in Metalloorganic Catalysis and Nanoelectronics 19 1.6.3 Imaging and Drug Delivery Agents Produced in Ferritins 19 1.7 Summary and Perspectives 20 Acknowledgments 20 References 21 2 Molecular Metal Oxides in Protein Cages/Cavities 25 Achim M¨uller and Dieter Rehder 2.1 Introduction 25 2.2 Vanadium: Functional Oligovanadates and Storage of VO2+ in Vanabins 26 2.3 Molybdenum and Tungsten: Nucleation Process in a Protein Cavity 28 2.4 Manganese in Photosystem II 33 2.5 Iron: Ferritins, DPS Proteins, Frataxins, and Magnetite 35 2.6 Some General Remarks: Oxides and Sulfides 38 References 38 PART II DESIGN OF METALLOPROTEIN CAGES 3 De Novo Design of Protein Cages to Accommodate Metal Cofactors 45 Flavia Nastri, Rosa Bruni, Ornella Maglio, and Angela Lombardi 3.1 Introduction 45 3.2 De Novo-Designed Protein Cages Housing Mononuclear Metal Cofactors 47 3.3 De Novo-Designed Protein Cages Housing Dinuclear Metal Cofactors 59 3.4 De Novo-Designed Protein Cages Housing Heme Cofactor 66 3.5 Summary and Perspectives 79 Acknowledgments 79 References 80 4 Generation of Functionalized Biomolecules Using Hemoprotein Matrices with Small Protein Cavities for Incorporation of Cofactors 87 Takashi Hayashi 4.1 Introduction 87 4.2 Hemoprotein Reconstitution with an Artificial Metal Complex 89 4.3 Modulation of the O2 Affinity of Myoglobin 90 4.4 Conversion of Myoglobin into Peroxidase 95 4.4.1 Construction of a Substrate-Binding Site Near the Heme Pocket 95 4.4.2 Replacement of Native Heme with Iron Porphyrinoid in Myoglobin 99 4.4.3 Other Systems Used in Enhancement of Peroxidase Activity of Myoglobin 100 4.5 Modulation of Peroxidase Activity of HRP 102 4.6 Myoglobin Reconstituted with a Schiff Base Metal Complex 103 4.7 A Reductase Model Using Reconstituted Myoglobin 106 4.7.1 Hydrogenation Catalyzed by Cobalt Myoglobin 106 4.7.2 A Model of Hydrogenase Using the Heme Pocket of Cytochrome c 107 4.8 Summary and Perspectives 108 Acknowledgments 108 References 108 5 Rational Design of Protein Cages for Alternative Enzymatic Functions 111 Nicholas M. Marshall, Kyle D. Miner, Tiffany D. Wilson, and Yi Lu 5.1 Introduction 111 5.2 Mononuclear Electron Transfer Cupredoxin Proteins 112 5.3 CuA Proteins 116 5.4 Catalytic Copper Proteins 118 5.4.1 Type 2 Red Copper Sites 118 5.4.2 Other T2 Copper Sites 120 5.4.3 Cu, Zn Superoxide Dismutase 121 5.4.4 Multicopper Oxygenases and Oxidases 122 5.5 Heme-Based Enzymes 124 5.5.1 Mb-Based Peroxidase and P450 Mimics 124 5.5.2 Mimicking Oxidases in Mb 125 5.5.3 Mimicking NOR Enzymes in Mb 127 5.5.4 Engineering Peroxidase Proteins 128 5.5.5 Engineering Cytochrome P450s 129 5.6 Non-Heme ET Proteins 131 5.7 Fe and Mn Superoxide Dismutase 132 5.8 Non-Heme Fe Catalysts 133 5.9 Zinc Proteins 134 5.10 Other Metalloproteins 135 5.10.1 Cobalt Proteins 135 5.10.2 Manganese Proteins 136 5.10.3 Molybdenum Proteins 137 5.10.4 Nickel Proteins 137 5.10.5 Uranyl Proteins 138 5.10.6 Vanadium Proteins 138 5.11 Summary and Perspectives 139 References 142 PART III COORDINATION CHEMISTRY OF PROTEIN ASSEMBLY CAGES 6 Metal-Directed and Templated Assembly of Protein Superstructures and Cages 151 F. Akif Tezcan 6.1 Introduction 151 6.2 Metal-Directed Protein Self-Assembly 152 6.2.1 Background 152 6.2.2 Design Considerations for Metal-Directed Protein Self-Assembly 153 6.2.3 Interfacing Non-Natural Chelates with MDPSA 155 6.2.4 Crystallographic Applications of Metal-Directed Protein Self-Assembly 159 6.3 Metal-Templated Interface Redesign 162 6.3.1 Background 162 6.3.2 Construction of a Zn-Selective Tetrameric Protein Complex Through MeTIR 163 6.3.3 Construction of a Zn-Selective Protein Dimerization Motif Through MeTIR 166 6.4 Summary and Perspectives 170 Acknowledgments 171 References 171 7 Catalytic Reactions Promoted in Protein Assembly Cages 175 Takafumi Ueno and Satoshi Abe 7.1 Introduction 175 7.1.1 Incorporation of Metal Compounds 176 7.1.2 Insight into Accumulation Process ofMetal Compounds 177 7.2 Ferritin as a Platform for Coordination Chemistry 177 7.3 Catalytic Reactions in Ferritin 179 7.3.1 Olefin Hydrogenation 179 7.3.2 Suzuki–Miyaura Coupling Reaction in Protein Cages 182 7.3.3 Polymer Synthesis in Protein Cages 185 7.4 Coordination Processes in Ferritin 188 7.4.1 Accumulation of Metal Ions 188 7.4.2 Accumulation of Metal Complexes 192 7.5 Coordination Arrangements in Designed Ferritin Cages 194 7.6 Summary and Perspectives 197 Acknowledgments 198 References 198 8 Metal-Catalyzed Organic Transformations Inside a Protein Scaffold Using Artificial Metalloenzymes 203 V. K. K. Praneeth and Thomas R. Ward 8.1 Introduction 203 8.2 Enantioselective Reduction Reactions Catalyzed by Artificial Metalloenzymes 204 8.2.1 Asymmetric Hydrogenation 204 8.2.2 Asymmetric Transfer Hydrogenation of Ketones 206 8.2.3 Artificial Transfer Hydrogenation of Cyclic Imines 208 8.3 Palladium-Catalyzed Allylic Alkylation 211 8.4 Oxidation Reaction Catalyzed by Artificial Metalloenzymes 212 8.4.1 Artificial Sulfoxidase 212 8.4.2 Asymmetric cis-Dihydroxylation 215 8.5 Summary and Perspectives 216 References 218 PART IV APPLICATIONS IN BIOLOGY 9 Selective Labeling and Imaging of Protein Using Metal Complex 223 Yasutaka Kurishita and Itaru Hamachi 9.1 Introduction 223 9.2 Tag–Probe Pair Method Using Metal-Chelation System 225 9.2.1 Tetracysteine Motif/Arsenical Compounds Pair 225 9.2.2 Oligo-Histidine Tag/Ni(ii)-NTA Pair 227 9.2.3 Oligo-Aspartate Tag/Zn(ii)-DpaTyr Pair 230 9.2.4 Lanthanide-binding Tag 235 9.3 Summary and Perspectives 237 References 237 10 Molecular Bioengineering of Magnetosomes for Biotechnological Applications 241 Atsushi Arakaki, Michiko Nemoto, and Tadashi Matsunaga 10.1 Introduction 241 10.2 Magnetite Biomineralization Mechanism in Magnetosome 242 10.2.1 Diversity of Magnetotactic Bacteria 242 10.2.2 Genome and Proteome Analyses of Magnetotactic Bacteria 244 10.2.3 Magnetosome Formation Mechanism 246 10.2.4 Morphological Control of Magnetite Crystal in Magnetosomes 250 10.3 Functional Design of Magnetosomes 251 10.3.1 Protein Display on Magnetosome by Gene Fusion Technique 252 10.3.2 Magnetosome Surface Modification by In Vitro System 255 10.3.3 Protein-mediated Morphological Control of Magnetite Particles 257 10.4 Application 258 10.4.1 Enzymatic Bioassays 259 10.4.2 Cell Separation 260 10.4.3 DNA Extraction 262 10.4.4 Bioremediation 264 10.5 Summary and Perspectives 266 Acknowledgments 266 References 266 PART V APPLICATIONS IN NANOTECHNOLOGY 11 Protein Cage Nanoparticles for Hybrid Inorganic–Organic Materials 275 Shefah Qazi, Janice Lucon, Masaki Uchida, and Trevor Douglas 11.1 Introduction 275 11.2 Biomineral Formation in Protein Cage Architectures 277 11.2.1 Introduction 277 11.2.2 Mineralization 278 11.2.3 Model for Synthetic Nucleation-Driven Mineralization 279 11.2.4 Mineralization in Dps: A 12-Subunit Protein Cage 279 11.2.5 Icosahedral Protein Cages: Viruses 282 11.2.6 Nucleation of Inorganic Nanoparticles Within Icosahedral Viruses 282 11.3 Polymer Formation Inside Protein Cage Nanoparticles 283 11.3.1 Introduction 283 11.3.2 Azide–Alkyne Click Chemistry in sHsp and P22 285 11.3.3 Atom Transfer Radical Polymerization in P22 287 11.3.4 Application as Magnetic Resonance Imaging Contrast Agents 290 11.4 Coordination Polymers in Protein Cages 292 11.4.1 Introduction 292 11.4.2 Metal–Organic Branched Polymer Synthesis by Preforming Complexes 292 11.4.3 Coordination Polymer Formation from Ditopic Ligands and Metal Ions 295 11.4.4 Altering Protein Dynamics by Coordination: Hsp-Phen-Fe 296 11.5 Summary and Perspectives 298 Acknowledgments 298 References 298 12 Nanoparticles Synthesized and Delivered by Protein in the Field of Nanotechnology Applications 305 Ichiro Yamashita, Kenji Iwahori, Bin Zheng, and Shinya Kumagai 12.1 Nanoparticle Synthesis in a Bio-Template 305 12.1.1 NP Synthesis by Cage-Shaped Proteins for Nanoelectronic Devices and Other Applications 305 12.1.2 Metal Oxide or Hydro-Oxide NP Synthesis in the Apoferritin Cavity 307 12.1.3 Compound Semiconductor NP Synthesis in the Apoferritin Cavity 308 12.1.4 NP Synthesis in the Apoferritin with the Metal-Binding Peptides 311 12.2 Site-Directed Placement of NPs 312 12.2.1 Nanopositioning of Cage-Shaped Proteins 312 12.2.2 Nanopositioning of Au NPs by Porter Proteins 313 12.3 Fabrication of Nanodevices by the NP and Protein Conjugates 317 12.3.1 Fabrication of Floating Nanodot Gate Memory 318 12.3.2 Fabrication of Single-Electron Transistor Using Ferritin 321 References 326 13 Engineered “Cages” for Design of Nanostructured Inorganic Materials 329 Patrick B. Dennis, Joseph M. Slocik, and Rajesh R. Naik 13.1 Introduction 329 13.2 Metal-Binding Peptides 331 13.3 Discrete Protein Cages 332 13.4 Heat-Shock Proteins 334 13.5 Polymeric Protein and Carbohydrate Quasi-Cages 340 13.6 Summary and Perspectives 346 References 347 PART VI COORDINATION CHEMISTRY INSPIRED BY PROTEIN CAGES 14 Metal–Organic Caged Assemblies 353 Sota Sato and Makoto Fujita 14.1 Introduction 353 14.2 Construction of Polyhedral Skeletons by Coordination Bonds 355 14.2.1 Geometrical Effect on Products 356 14.2.2 Structural Extension Based on Rigid, Designable Framework 358 14.2.3 Mechanistic Insight into Self-Assembly 366 14.3 Development of Functions via Chemical Modification 366 14.3.1 Chemistry in the Hollow of Cages 367 14.3.2 Chemistry on the Periphery of Cages 368 14.4 Metal–Organic Cages for Protein Encapsulation 370 14.5 Summary and Perspectives 370 References 371 Index 375

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Book SynopsisA single reference to all aspects of contemporary air dispersion modeling The practice of air dispersion modeling has changed dramatically in recent years, in large part due to new EPA regulations.Table of ContentsPreface xv List of Symbols xix Chapter 1 Introduction 1 1.1 Introduction 1 1.2 Types of Air Dispersion Models 4 1.3 Standard Conditions for Temperature and Pressure 6 1.4 Concentration Units in the Gas Phase 7 1.5 Units 9 1.6 Constants and Approximately Constant Variables 11 1.7 Frequently Used Greek Symbols 12 Problems 12 References 12 Chapter 2 An Air Dispersion Modeling Primer 14 2.1 Introduction 14 2.2 Basic Concepts of Air Dispersion 15 2.3 Gaussian Dispersion Model 17 2.4 Plume Rise 30 2.5 Need for Refinements to the Basic Gaussian Plume Dispersion Model 34 Problems 34 Materials Online 36 References 36 Chapter 3 Air Pollutants: An Overview 37 3.1 Introduction 37 3.2 Types of Air Pollution 37 Problems 51 References 52 Chapter 4 Regulation of Air Quality and Air Quality Modeling 54 4.1 Introduction 54 4.2 Air Quality Regulation 54 4.3 Air Dispersion Modeling Guidelines 59 References 59 Chapter 5 Meteorology for Air Dispersion Modelers 60 5.1 Introduction 60 5.2 Structure of the Atmosphere 61 5.3 Altitude Dependence of Barometric Pressure 62 5.4 Height Dependence of Temperature—Adiabatic Case 65 5.5 Stability 70 5.6 Heat Balance 76 5.7 Wind Speed Profile 81 5.8 Temperature Profile Revisited: Nonneutral Conditions 93 5.9 Heat Balance Revisited: Stable Conditions 97 5.10 Mixing Layer Height 99 5.11 Concept of Turbulence 103 5.12 Special Topics in Meteorology 119 5.13 Advanced Topics in Meteorology 122 5.14 Summary of Main Equations 134 Problems 137 Materials Online 138 References 139 Chapter 6 Gaussian Dispersion Modeling: An In-Depth Study 141 6.1 Introduction 141 6.2 Gaussian Plume Models 142 6.3 Parameterizations Based on Stability Classes 145 6.4 Gaussian Plume Dispersion Short Cut 148 6.5 Plume Dispersion Modifiers 150 6.6 Continuous Parameterization for Gaussian Dispersion Models 153 6.7 Gaussian Plume Models for Nonpoint Sources 172 6.8 Virtual Source Concept 174 6.9 Special Issues 175 6.10 Gaussian Puff Modeling 180 6.11 Advanced Topics in Meteorology 187 6.12 Summary of the Main Equations 193 Problems 195 Materials Online 197 References 197 Chapter 7 Plume–Atmosphere Interactions 201 7.1 Introduction 201 7.2 Plume Rise 201 7.3 Plume Downwash: PRIME (Plume RIse Model Enhancements) 215 7.4 Behavior of Denser-than-Air Plumes 225 7.5 Deposition 234 7.6 Summary of the Main Equations 288 Problems 291 Materials Online 292 References 292 Chapter 8 Gaussian Model Approaches in Urban or Industrial Terrain 296 8.1 Introduction 296 8.2 Wind Flow around Obstacles 297 8.3 Surface Roughness and Displacement Height in Urban and Industrial Terrain 298 8.4 Wind Speed Profiles near the Surface: Deviations from Similarity Theory 303 8.5 Turbulence in Urban Terrain 314 8.6 Dispersion Calculations in Urban Terrain near the Surface 317 8.7 An Example 320 8.8 Summary of the Main Equations 324 Problems 326 Materials Online 327 References 327 Chapter 9 Stochastic Modeling Approaches 329 9.1 Introduction 329 9.2 Fundamentals of Stochastic Air Dispersion Modeling 330 9.3 Numerical Aspects of Stochastic Modeling 348 9.4 Stochastic Lagrangian Calculation Examples 353 9.5 Summary of the Main Equations 358 Problems 359 Materials Online 360 References 360 Chapter 10 Computational Fluid Dynamics and Meteorological Modeling 363 10.1 Introduction 363 10.2 CFD Model Formulation: Fundamentals 364 10.3 Reynolds-Averaged Navier–Stokes (RANS) Techniques 375 10.4 Large Eddy Simulation (LES) 394 10.5 Numerical Methods in CFD 397 10.6 Meteorological Modeling 399 10.7 Summary of the Main Equations 400 References 402 Chapter 11 Eulerian Model Approaches 404 11.1 Introduction 404 11.2 Governing Equations of Eulerian Dispersion Models 405 11.3 Closing the Material Balance for Turbulent Motion 412 11.4 Atmospheric Chemistry 422 11.5 Numerical Aspects of Eulerian Dispersion Modeling 455 11.6 Summary of the Main Equations 467 Problems 469 References 470 Chapter 12 Practical Aspects of Air Dispersion Modeling 474 12.1 Introduction 474 12.2 Source Characterization and Source Modeling 474 12.3 Coordinate Systems 476 12.4 Data Handling 478 12.5 Model Validation 478 References 479 Chapter 13 ISC3 and SCREEN3: A Detailed Description 480 13.1 Introduction 480 13.2 ISC3 Model Description 480 13.3 SCREEN3 Model Description 489 References 490 Chapter 14 AERMOD and AERMET: A Detailed Description 491 14.1 Introduction 491 14.2 Description of AERMET 492 14.3 Description of AERMOD 496 References 512 Chapter 15 CALPUFF and CALMET: A Detailed Description 514 15.1 Introduction 514 15.2 Description of CALMET 515 15.3 Description of CALPUFF 526 References 541 Chapter 16 CMAQ: A Brief Description 542 16.1 Introduction 542 16.2 Main Features of CMAQ 542 16.3 Advection and Diffusion Modeling in CMAQ 544 16.4 Atmospheric Chemistry Modeling in CMAQ 545 References 554 Appendix A Auxiliary Calculations and Derivations 556 Appendix B Auxiliary Da ta and Methods 596 Appendix C Theory of Near Surface Turbulence Applied to Wind Speed Profiles, Dry Deposition, Air–Water Exchange, and Canopy Effects 607 Index 629

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Book SynopsisA powerful, unified approach to mathematical and computational modeling in science and engineering Mathematical and computational modeling makes it possible to predict the behavior of a broad range of systems across a broad range of disciplines. This text guides students and professionals through the axiomatic approach, a powerful method that will enable them to easily master the principle types of mathematical and computational models used in engineering and science. Readers will discover that this axiomatic approach not only enables them to systematically construct effective models, it also enables them to apply these models to any macroscopic physical system. Mathematical Modeling in Science and Engineering focuses on models in which the processes to be modeled are expressed as systems of partial differential equations. It begins with an introductory discussion of the axiomatic formulation of basic models, setting the foundation for further topics such as:Table of ContentsPreface xiii 1 AXIOMATIC FORMULATION OF THE BASIC MODELS 1 1.1 Models 1 1.2 Microscopic and macroscopic physics 2 1.3 Kinematics of continuous systems 3 1.3.1 Intensive properties 6 1.3.2 Extensive properties 8 1.4 Balance equations of extensive and intensive properties 9 1.4.1 Global balance equations 9 1.4.2 The local balance equations 10 1.4.3 The role of balance conditions in the modeling of continuous systems 13 1.4.4 Formulation of motion restrictions by means of balance equations 14 1.5 Summary 16 2 MECHANICS OF CLASSICAL CONTINUOUS SYSTEMS 23 2.1 One-phase systems 23 2.2 The basic mathematical model of one-phase systems 24 2.3 The extensive/intensive properties of classical mechanics 25 2.4 Mass conservation 26 2.5 Linear momentum balance 27 2.6 Angular momentum balance 29 2.7 Energy concepts 32 2.8 The balance of kinetic energy 33 2.9 The balance of internal energy 34 2.10 Heat equivalent of mechanical work 35 2.11 Summary of basic equations for solid and fluid mechanics 35 2.12 Some basic concepts of thermodynamics 36 2.12.1 Heat transport 36 2.13 Summary 38 3 MECHANICS OF NON-CLASSICAL CONTINUOUS SYSTEMS 45 3.1 Multiphase systems 45 3.2 The basic mathematical model of multiphase systems 46 3.3 Solute transport in a free fluid 47 3.4 Transport by fluids in porous media 49 3.5 Flow of fluids through porous media 51 3.6 Petroleum reservoirs: the black-oil model 52 3.6.1 Assumptions of the black-oil model 53 3.6.2 Notation 53 3.6.3 Family of extensive properties 54 3.6.4 Differential equations and jump conditions 55 3.7 Summary 57 4 SOLUTE TRANSPORT BY A FREE FLUID 63 4.1 The general equation of solute transport by a free fluid 64 4.2 Transport processes 65 4.2.1 Advection 65 4.2.2 Diffusion processes 65 4.3 Mass generation processes 66 4.4 Differential equations of diffusive transport 67 4.5 Well-posed problems for diffusive transport 69 4.5.1 Time-dependent problems 70 4.5.2 Steady state 71 4.6 First-order irreversible processes 71 4.7 Differential equations of non-diffusive transport 73 4.8 Well-posed problems for non-diffusive transport 73 4.8.1 Well-posed problems in one spatial dimension 74 4.8.2 Well-posed problems in several spatial dimensions 79 4.8.3 Well-posed problems for steady-state models 80 4.9 Summary 80 5 FLOW OF A FLUID IN A POROUS MEDIUM 85 5.1 Basic assumptions of the flow model 85 5.2 The basic model for the flow of a fluid through a porous medium 86 5.3 Modeling the elasticity and compressibility 87 5.3.1 Fluid compressibility 87 5.3.2 Pore compressibility 88 5.3.3 The storage coefficient 90 5.4 Darcy's law 90 5.5 Piezometric level 92 5.6 General equation governing flow through a porous medium 94 5.6.1 Special forms of the governing differential equation 95 5.7 Applications of the jump conditions 96 5.8 Well-posed problems 96 5.8.1 Steady-state models 97 5.8.2 Time-dependent problems 99 5.9 Models with a reduced number of spatial dimensions 99 5.9.1 Theoretical derivation of a 2-D model for a confined aquifer 100 5.9.2 Leaky aquitard method 102 5.9.3 The integrodifferential equations approach 104 5.9.4 Other 2-D aquifer models 108 5.10 Summary 111 6 SOLUTE TRANSPORT IN A POROUS MEDIUM 117 6.1 Transport processes 118 6.1.1 Advection 118 6.2 Non-conservative processes 118 6.2.1 First-order irreversible processes 119 6.2.2 Adsorption 119 6.3 Dispersion-diffusion 121 6.4 The equations for transport of solutes in porous media 123 6.5 Well-posed problems 125 6.6 Summary 125 7 MULTIPHASE SYSTEMS 129 7.1 Basic model for the flow of multiple-species transport in a multiple-fluid- phase porous medium 129 7.2 Modeling the transport of species i in phase a 130 7.3 The saturated flow case 133 7.4 The air-water system 137 7.5 The immobile air unsaturated flow model 142 7.6 Boundary conditions 143 7.7 Summary 145 8 ENHANCED OIL RECOVERY 149 8.1 Background on oil production and reservoir modeling 149 8.2 Processes to be modeled 151 8.3 Unified formulation of EOR models 151 8.4 The black-oil model 152 8.5 The Compositional Model 156 8.6 Summary 160 9 LINEAR ELASTICITY 165 9.1 Introduction 165 9.2 Elastic Solids 166 9.3 The Linear Elastic Solid 167 9.4 More on the Displacement Field Decomposition 170 9.5 Strain Analysis 171 9.6 Stress Analysis 173 9.7 Isotropic materials 175 9.8 Stress-strain relations for isotropic materials 177 9.9 The governing differential equations 179 9.9.1 Elastodynamics 180 9.9.2 Elastostatics 180 9.10 Well-posed problems 181 9.10.1 Elastostatics 181 9.10.2 Elastodynamics 181 9.11 Representation of solutions for isotropic elastic solids 182 9.12 Summary 183 10 FLUID MECHANICS 189 10.1 Introduction 189 10.2 Newtonian fluids: Stokes' constitutive equations 190 10.3 Navier-Stokes equations 192 10.4 Complementary constitutive equations 193 10.5 The concepts of incompressible and inviscid fluids 193 10.6 Incompressible fluids 194 10.7 Initial and boundary conditions 195 10.8 Viscous incompressible fluids: steady states 196 10.9 Linearized theory of incompressible fluids 196 10.10 Ideal fluids 197 10.11 Irrotational flows 198 10.12 Extension of Bernoulli's relations to compressible fluids 199 10.13 Shallow-water theory 200 10.14 Inviscid compressible fluids 202 10.14.1 Small perturbations in a compressible fluid: the theory of sound 203 10.14.2 Initiation of motion 204 10.14.3 Discontinuous models and shock conditions 206 10.15 Summary 208 A: PARTIAL DIFFERENTIAL EQUATIONS 211 A. 1 Classification 211 A.2 Canonical forms 213 A.3 Well-posed problems 213 A.3.1 Boundary-value problems: the elliptic case 214 A.3.2 Initial-boundary-value problems 214 B: SOME RESULTS FROM THE CALCULUS 217 B.l Notation 217 B.2 Generalized Gauss Theorem 218 C: PROOF OF THEOREM 221 D: THE BOUNDARY LAYER INCOMPRESSIBILITY APPROXIMATION 225 E: INDICIAL NOTATION 229 E.l General 229 E.2 Matrix algebra 230 E.3 Applications to differential calculus 232 Index 235

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Book SynopsisPolymers have played a critical role in the rational design and application of drug delivery systems that increase the efficacy and reduce the toxicity of new and conventional therapeutics.Table of ContentsFOREWORD xi PREFACE xiii CONTRIBUTORS xv PART I INTRODUCTION 1 1 FUNDAMENTALS OF DRUG DELIVERY 3 Rebecca A. Bader 1.1 Introduction: History and Future of Drug Delivery 3 1.2 Terminology 5 1.3 Basic Pharmacokinetics 8 1.4 Basic Pharmacodynamics 12 1.5 Mass Transfer 13 1.6 Key Points 23 1.7 Homework Problems 23 2 CHALLENGES OF DRUG DELIVERY 29 Patricia R. Wardwell and Rebecca A. Bader 2.1 Introduction 29 2.2 History and Challenges of Drug Delivery 30 2.3 Physical Barriers 31 2.4 Metabolic and Chemical Concerns 39 2.5 Physical Properties of Therapeutics 42 2.6 Polymer Carriers as a Solution to Challenges 45 2.7 Key Points 50 2.8 Homework Problems 50 PART II INJECTABLE POLYMERIC DRUG DELIVERY SYSTEMS 55 3 POLYMER–DRUG CONJUGATES 57 Cristina Fante and Francesca Greco 3.1 Introduction 57 3.2 Historical Perspective 58 3.3 Polymer–Drug Conjugates: Biological Rationale 59 3.4 Structural Features of Polymer–Drug Conjugates 62 3.5 Making a Polymer–Drug Conjugate 68 3.6 Current Challenges and Future Perspectives 71 3.7 Key Points 75 3.8 Worked Example 76 3.9 Homework Problems 76 4 POLYMERIC MICROPARTICLES 85 Noelle K. Comolli and Colleen E. Clark 4.1 Introduction 85 4.2 The Rationale for Microparticles 86 4.3 Defining the Design Criteria 87 4.4 Polymer Selection 89 4.5 Microparticle Synthesis 91 4.6 Microparticle Characterization Methods 96 4.7 Drug Release from Microparticles 100 4.8 Microparticle Design Examples 108 4.9 Key Points 110 4.10 Worked Example 110 4.11 Homework Problems 111 5 POLYMERIC NANOPARTICLES 117 Andrew L. Vasilakes, Thomas D. Dziubla, and Paritosh P. Wattamwar 5.1 Introduction 117 5.2 PNP Design 124 5.3 PNP Formulation Methods and Targeting 128 5.4 Nanoparticle Targeting Overview 133 5.5 PNP Characterization 139 5.6 Major Clinical Achievements 147 5.7 Key Points 148 5.8 Worked Example 149 5.9 Homework Problems 150 6 BLOCK COPOLYMER MICELLES AND VESICLES FOR DRUG DELIVERY 163 James D. Robertson, Nisa Patikarnmonthon, Adrian S. Joseph, and Giuseppe Battaglia 6.1 Introduction 163 6.2 Drug Encapsulation and Release 165 6.3 Bioavailability and Biodistribution 166 6.4 Stimuli Responsiveness 170 6.5 The Immune System 174 6.6 Gene Therapy 177 6.7 Cancer Therapy 180 6.8 Conclusions 182 6.9 Key Points 182 6.10 Homework Problems 183 PART III IMPLANTABLE POLYMERIC DRUG DELIVERY SYSTEMS 189 7 IMPLANTABLE DRUG DELIVERY SYSTEMS 191 Luis Solorio, Angela Carlson, Haoyan Zhou, and Agata A. Exner 7.1 Introduction 191 7.2 Nondegradable Polymeric Implants 193 7.3 Biodegradable Polymeric Implants 198 7.4 Conclusions and Future Perspectives 215 7.5 Key Points 216 7.6 Homework Problems 216 8 POLYMERIC DRUG DELIVERY SYSTEMS IN TISSUE ENGINEERING 227 Matthew Skiles and James Blanchette 8.1 Introduction 227 8.2 Wound Healing as a Prototype for Adult Tissue Generation 228 8.3 Bioactive Factors in Tissue Engineering and Regenerative Medicine 232 8.4 Delivery of Growth Factors in Tissue Engineering and Regenerative Medicine 248 8.5 Key Points 268 8.6 Worked Example 269 8.7 Homework Problems 270 PART IV ORAL POLYMERIC DRUG DELIVERY SYSTEMS 283 9 ORAL CONTROLLED-RELEASE POLYMERIC DRUG DELIVERY SYSTEMS 285 James W. McGinity, James C. DiNunzio, and Justin M. Keen 9.1 Introduction 285 9.2 Release Mechanisms of Oral Polymeric Dosage Forms 288 9.3 Oral Polymeric Release Modifiers 295 9.4 Manufacturing Technologies and Industrial Applications of Controlled Release 297 9.5 Worked Example 311 9.6 Key Points 314 9.7 Homework Problems 314 10 MUCOADHESIVE DRUG DELIVERY SYSTEMS 319 Srinath Muppalaneni, David Mastropietro, and Hossein Omidian 10.1 Introduction 319 10.2 Factors Affecting Mucoadhesion 320 10.3 Polymer–Mucus Interactions 320 10.4 Mucoadhesion Mechanisms 322 10.5 Mucoadhesive Polymers 324 10.6 Novel Mucoadhesive Materials 327 10.7 Mucoadhesion Testing 330 10.8 Drug Release Studies 332 10.9 Mucoadhesive Dosage Forms 332 10.10 Conclusion 334 10.11 Key Points 334 10.12 Homework Questions 337 11 ENHANCED ORAL DRUG DELIVERY THROUGH METABOLIC PATHWAYS 343 Gregory Russell-Jones 11.1 Introduction 343 11.2 Uptake of Nutrients from the Intestine 344 11.3 Nutrient Transport in the Intestine 349 11.4 Use of Nutrient Transporters for Drug Delivery 352 11.5 Case Study: The Use of the Vitamin B2 Uptake System for Drug Delivery 352 11.6 Key Points 365 11.7 Worked Example 365 11.8 Homework Problems 366 PART V ADVANCED POLYMERIC DRUG DELIVERY 375 12 STIMULI-RESPONSIVE POLYMER DELIVERY SYSTEMS 377 Amy Van Hove, Zhanwu Cui, and Danielle S.W. Benoit 12.1 Introduction 377 12.2 Temperature-Responsive Polymers for Drug Delivery 378 12.3 pH-Responsive Polymers for Drug Delivery 387 12.4 Reduction/Oxidation (Redox)-Responsive Polymers 397 12.5 Enzymatically Responsive Drug Delivery 403 12.6 Key Points 415 12.7 Homework Questions 416 13 AFFINITY-BASED DRUG DELIVERY 429 Andrew S. Fu and Horst A. von Recum 13.1 Introduction 429 13.2 Association Constant 430 13.3 Worked Example 432 13.4 Affinity-Based Drug Delivery Systems 437 13.5 Mathematical Modeling of Affinity-Based Systems 444 13.6 Challenges and Future Directions 448 13.7 Key Points 448 13.8 Homework Problems 449 INDEX 453

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Book SynopsisThis book teaches methods for improving a company's safety culture and allows readers to effectively assess, transform, sustain, and integrate behavioral safety precepts as part of their company's continuous improvement efforts.Trade Review“The 38-page introductory section provides a useful summary of the background principles involved in the pursuit of safety culture excellence and is a good read for those unfamiliar with this topic.” (Occupational Medicine, 5 July 2014)Table of ContentsINTRODUCTION vii OTHER WORKS ON SAFETY CULTURE xvii UNDERSTANDING AND IMPROVING SAFETY CULTURE xix MAKING THE DECISION TO PURSUE SAFETY CULTURE EXCELLENCESM* xxix MILESTONE 1 STRATEGY 1 STEP 1.1 Purpose 5 STEP 1.2 Core Values 6 STEP 1.3 Vision 8 STEP 1.4 Long- and Short-Term Goals 10 STEP 1.5 Objectives 12 STEP 1.6 Marketing 12 STEP 1.7 Initiatives 15 STEP 1.8 Safety Excellence Accountability System 16 STEP 1.9 Identify and Enable Change Agents 20 STEP 1.10 Measure/Adjust 24 STEP 1.11 Continuous Improvement 27 MILESTONE 2 ASSESSMENT 29 STEP 2.1 Evaluation of Existing Safety Initiatives 30 STEP 2.2 Perceptions 31 STEP 2.3 Interviews 37 STEP 2.4 Safety Data Analysis 39 MILESTONE 3 CLARITY 41 STEP 3.1 SET Structure 42 STEP 3.2 SET Strategy Briefing 47 STEP 3.3 SET Clarity Workshop 48 STEP 3.4 STEPS Employee Briefing(s) 57 MILESTONE 4 CLIMATE 63 STEP 4.1 Commitment 65 STEP 4.2 Caring 67 STEP 4.3 Cooperation 68 STEP 4.4 Coaching 70 MILESTONE 5 CHEMISTRY 75 STEP 5.1 Passion 76 STEP 5.2 Focus 78 STEP 5.3 Expectations 80 STEP 5.4 Proactive Accountability 86 STEP 5.5 Reinforcement 87 STEP 5.6 Vulnerability 89 STEP 5.7 Communication 91 STEP 5.8 Measurement 97 STEP 5.9 Trust (The Bonding Agent) 104 MILESTONE 6 CONTROL 107 STEP 6.1 Targeting Safety Improvement 108 STEP 6.2 Taking a Safety-Improvement STEP 111 STEP 6.3 Converting BBS to STEPS 112 STEP 6.4 Motivation 114 MILESTONE 7 CONTINUOUS IMPROVEMENT 117 STEP 7.1 Ongoing Safety-Improvement STEPS 118 STEP 7.2 The FILM for a Cultural Snapshot 119 STEP 7.3 Multilevel Support 122 STEP 7.4 Succession Plan for SET 123 STEP 7.5 Onboarding: New-Employee Orientation to STEPS 124 STEP 7.6 Professional Development 125 STEP 7.7 Reassessment 126 CONCLUSION 127 BIBLIOGRAPHY 129 APPENDIX A EXPLANATION OF TERMS 131 APPENDIX B PARETO ANALYSIS WORKSHEET AND INSTRUCTIONS 133 APPENDIX C SELECTING EFFECTIVE MEMBERS FOR SAFETY EXCELLENCE TEAMS 135 APPENDIX D LIST OF VARIABLES RECOMMENDED FOR ACCIDENT INVESTIGATION REPORTS 137 APPENDIX E ACTION PLAN FORM 139 APPENDIX F STEPS AUDIT CHECKLIST 141 INDEX 143

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Book SynopsisEven though most of the Earth s surface is covered with water, most of it is not directly usable for human consumption or applications. As the population increases and our general style of living standards increase, the importance useable water is becoming acute.Table of ContentsPreface. Acknowledgements. Introduction. 1. Water Contaminants and Their Removal. 1.1 Introduction. 1.2 Technology, History, and Background. 1.3 Application Areas: Electrochemical Technology Water Processing. 2. Basic Electrochemical and Physical Principles. 2.1 Introduction. 2.2 Acidity and Alkalinity, pH. 2.3 Activity and Activity Coefficients. 2.4 Equilibrium and Dissociation Constants. 2.5 Electrode, or Half Cell Potential. 2.6 Chemical Potential Definition. 2.7 Concentration Potential. 2.8 Equivalent Conductance. 2.9 Free Energy and Equilibrium. 2.10 Dissociation Constants. 2.11 Ionic Conductance and Mobility. 2.12 Osmotic Pressure. 2.13 Diffusion (Flick's Law). 3. Systems Description: General Outlines of Basic Approaches. 3.1 Electrodialysis. 3.2 pH Control: Analytic Development. 3.3 Biociding Technology. 3.4 Ion Exchange Resin Regeneration System. 3.5 Metals Reclamation. 4. Mathematical Analysis & Modeling Electrodialysis Systems. 4.1 Electrodialysis: Descriptions and Definitions. 4.2 Basic Assumptions and Operating Parameters. 4.3 Parametric Analysis: Flow-Through Configuration. 4.4 Flow-Through Design Exercises. 4.5 Batch Process Analysis: Re-Circulating or Static Water Processing System. 4.6 Design Exercises for Water Re-Circulation Systems. 4.7 Cell Potential and Membrane Resistance Contributions. 4.8 Diffusion Losses of Ions and Molecules Across Membranes. 5. System Design Exercises & Examples. 5.1 Electrolytic Generation of Bromine and Chlorine: Design Procedures. 5.2 Simple Estimate of Capital Equipment and Operating Cost of Electrochemical Desalination Apparatus. 5.3 Cost Estimates Outline for an Electrodialysis De-ionizing System. 6. Applications Discussion. 6.1 Demineralizer: Electrodialysis. 6.2 Reseidentialwater Softener. 6.3 Electrical Water Processor Portable Design. Appendix A: Some Physical Constants and Conversion Factors. Appendix B: Conductance and Solubility. Appendix C: Feeder Tube and Common Manifolding Losses. Appendix D: Variable Current Density. Appendix E: Mathematical Analysis: Water pH Control Cell and Ion Exchange Resin Regeneration. Appendix F: Industrial Chlorination and Bromination Equipment Cost Estimates. Appendix G: Design Mathematics in Computer Format. Appendix H: Mathematics for Simple Electrochemical Biociding. Bibliography. Index. Also of Interest.

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Book SynopsisThe first book of its kind, the LCA Handbook will become an invaluable resource for environmentally progressive manufacturers and suppliers, product and process designers, executives and managers, and government officials who want to learn about this essential component of environmental sustainability. .Trade Review“My overall impression of the book is that of a rich source of LCA information offered by a large group of LCA experts in their respective fields.” (Int J Life Cycle Assess, 13 March 2014)Table of ContentsPreface xix 1 Environmental Life Cycle Assessment: Background and Perspective 1 Gjalt Huppes and Mary Ann Curran Part 1: Methodology and Current State of LCA Practice 2 An Overview of the Life Cycle Assessment Method - Past, Present, and Future 15 Reinout Heijungs and Jeroen B. Guinee 3. Life Cycle Inventory Modeling in Practice 43 Beverly Sauer 4 Life Cycle Impact Assessment 67 Manuele Margni and Mary Ann Curran 5 Sourcing Life Cycle Inventory Data 105 Mary Ann Curran 6 Software for Life Cycle Assessment 143 Andreas Ctroth Part 2: LCA Applications 7 Modeling the Agri-Food Industry with Life Cycle Assessment 159 Bruno Notarnicola, Giuseppe Tassielli and Pietro A. Renzulli Exergy Analysis and its Connection to Life Cycle Assessment 185 Marc A. Rosen, Ibrahim Dincer and Ahmet Ozbilen Accounting for Ecosystem Goods and Services in Life Cycle Assessment and Process Design 217 Erin F. Landers, Robert A. Urban and Bhavtk R. Baksht A Case Study of the Practice of Sustainable Supply Chain Management 233 Annie Wetsbrod and Larry Loftus Life Cycle Assessment and End of Life Materials Management 249 Keith A. Weitz Application of LCA in Mining and Minerals Processing – Current Programs and Noticeable Gaps 267 Dr. Mary Stewart, Dr. Peter Holt and Mr. Rob Rouwette Sustainable Preservative-Treated Forest Products, Their Life Cycle Environmental Impacts, and End of Life Management Opportunities: A Case Study 291 Christopher A. Bolin Buildings, Systems Thinking, and Life Cycle Assessment 311 Joel Ann Todd Life Cycle Assessment in Product Innovation 329 Nuno Da Silva Life Cycle Assessment as a Tool in Food Waste Reduction and Packaging Optimization - Packaging Innovation and Optimization in a Life Cycle Perspective 345 Ole Jörgen Haussen, Hanne Moller, Erik Svanes and Vibeke Schakenda Integration of LCA and Life-Cycle Thinking within the Themes of Sustainable Chemistry & Engineering 369 Shawn Hunter, Richard Helling and Dawn Shiang Part 3: LCA Supports Decision Making and Sustainability 18 How to Approach the Assessment? 391 Jose Potting, Shabbtr Gheewala, Sebastten Bonnet and Joost van Buuren 19 Integration of MCDA Tools in Valuation of Comparative Life Cycle Assessment 413 Valenttna Prado, Kristen Rogers and Thomas P. Seager PhD Social Life Cycle Assessment: A Technique Providing a New Wealth of Information to Inform Sustainability-Related Decision Making 433 Catherine Benott Norris Life Cycle Sustainability Analysis 453 Alessandra Zamagni, Jeroen Guinee, Reinout Hetjungs and Paolo Masoni 22 Environmental Product Claims and Life Cycle Assessment 475 Martha J. Stevenson and Wesley W. Ingwersen Part 4: Operationalizing LCA 23 Building Capacity for Life Cycle Assessment in Developing Countries 545 Prof. Toolseeram Ramjeawon Environmental Accountability: A New Paradigm for World Trade is Emerging 563 Ann K. Ngo Life Cycle Knowledge Informs Greener Products 585 James Fava Index 597

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Book SynopsisA comprehensive review of all types of medical therapeutic delivery solutions from traditional pharmaceutical therapy development to innovative medical device therapy treatment to the recent advances in cellular and stem cell therapy development. It also includes associated regulatory requirements for the development of these therapies.Table of ContentsPreface vii Contributors ix ACKNOWLEDGMENT xi Section 1 Requirements and Issues encountered in Regulatory Submissions in the Pharmaceutical, Cell Therapy and Medical Device Industries 1 1 Challenges to Quality and Regulatory Requirement in the United States—Drugs, Medical Device, and Cell Therapy 3 Section 2 Traditional Pharmaceutical Drug Therapy Development 35 2 Development of Tablets 37 3 Formulation of Poorly Soluble Drugs for Oral Administration 67 Section 3 Overview, Current Trends and Strategies of Special Medical Device Development 105 4 Overview of Drug Delivery Devices 107 5 Local Delivery of Bone Growth Factors 135 6 Delivery of Insulin: From Glass Syringes to Feedback-Controlled Patch Pumps 163 Section 4 Advances and Innovations in Cellular and Stem Cell Therapeutic Delivery 179 7 Endocrine Therapeutic Delivery: Pancreatic Cell Transplant and Growth 181 8 Cell-Based Biologic Therapy for the Treatment of Medical Diseases 207 9 Development of Stem Cell Therapy for Medical Uses 239 Section 5 Analytical Support Needed For the Research and Development 269 10 Specification Setting and Stability Studies in the Development of Therapeutic Delivery Solution 271 11 LC-MS for Pharmaceutical Analysis 315 12 Biorelevant Dissolution Testing 335 13 I CH Quality Guidelines: Their Global Impact 367 14 Out of Specification/Atypical Result Investigation 381 Index 405

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Book SynopsisEnables readers to apply core principles of environmental engineering to analyze environmental systems Environmental Process Analysis takes a unique approach, applying mathematical and numerical process modeling within the context of both natural and engineered environmental systems. Readers master core principles of natural and engineering science such as chemical equilibria, reaction kinetics, ideal and non-ideal reactor theory, and mass accounting by performing practical real-world analyses. As they progress through the text, readers will have the opportunity to analyze a broad range of environmental processes and systems, including water and wastewater treatment, surface mining, agriculture, landfills, subsurface saturated and unsaturated porous media, aqueous and marine sediments, surface waters, and atmospheric moisture. The text begins with an examination of water, core definitions, and a review of important chemical principles. It then progressiveTable of ContentsPreface xiii Acknowledgments xvii 1. Introductory Remarks 1 1.1 Perspective / 1 1.2 Organization and Objectives / 2 1.3 Approach / 8 2. Water 11 2.1 Perspective / 11 2.2 Important Properties of Water / 12 3. Concentration Units for Gases, Liquids, and Solids 16 3.1 Selected Concentration Units / 16 3.2 The Ideal Gas Law and Gas Phase Concentration Units / 20 3.3 Aqueous Concentration Units / 23 3.4 Applications of Volume Fraction Units / 28 4. The Law of Mass Action and Chemical Equilibria 36 4.1 Perspective / 36 4.2 The Law of Mass Action / 37 4.3 Gas/Water Distributions / 38 4.4 Acid/Base Systems / 39 4.5 Metal Complexation Systems / 40 4.6 Water/Solid Systems (Solubility/Dissolution) / 41 4.7 Oxidation/Reduction Half Reactions / 43 5. Air / Water Distribution: Henry’s Law 44 5.1 Perspective / 44 5.2 Henry’s Law Constants / 46 5.3 Applications of Henry’s Law / 51 6. Acid/Base Component Distributions 64 6.1 Perspective / 64 6.2 Proton Abundance in Aqueous Solutions: pH and the Ion Product of Water / 65 6.3 Acid Dissociation Constants / 69 6.4 Mole Accounting Relations / 70 6.5 Combination of Mole Balance and Acid/Base Equilibria / 74 6.6 Alkalinity, Acidity, and the Carbonate System / 82 6.7 Applications of Acid/Base Principles in Selected Environmental Contexts / 91 7. Mass Balance, Ideal Reactors, and Mixing 119 7.1 Perspective / 119 7.2 The Mass Balance / 120 7.3 Residence Time Distribution (RTD) Analyses / 121 7.4 Exit Responses for Ideal Reactors / 125 7.5 Modeling of Mixing in Ideal CMFRs / 130 7.6 Applications of CMFR Mixing Principles in Environmental Systems / 144 8. Reactions in Ideal Reactors 157 8.1 Perspective / 157 8.2 Chemical Stoichiometry and Mass/Volume Relations / 158 8.3 Reactions in Ideal Reactors / 171 8.4 Applications of Reactions in Ideal Reactors / 183 8.5 Interfacial Mass Transfer in Ideal Reactors / 216 9. Reactions in Nonideal Reactors 265 9.1 Perspective / 265 9.2 Exit Concentration Versus Time Traces / 266 9.3 Residence Time Distribution Density / 267 9.4 Cumulative Residence Time Distributions / 271 9.5 Characterization of RTD Distributions / 272 9.6 Models for Addressing Longitudinal Dispersion in Reactors / 275 9.7 Modeling Reactions in CMFRs in Series (TiS) Reactors / 280 9.8 Modeling Reactions with the Plug-Flow with Dispersion Model / 282 9.9 Modeling Reactions Using the Segregated Flow (SF) Model / 289 9.10 Applications of Nonideal Reactor Models / 291 9.11 Considerations for Analyses of Spatially Variant Processes / 305 9.12 Modeling Utilization and Growth in PFR-Like Reactors Using TiS and SF / 318 10. Acid-Base Advanced Principles 335 10.1 Perspective / 335 10.2 Activity Coefficient / 336 10.3 Temperature Dependence of Equilibrium Constants / 344 10.4 Nonideal Conjugate Acid/Conjugate Base Distributions / 350 10.5 The Proton Balance (Proton Condition) / 358 10.6 Analyses of Solutions Prepared by Addition of Acids, Bases, and Salts to Water / 365 10.7 Analysis of Mixed Aqueous Solutions / 380 10.8 Acid and Base Neutralizing Capacity / 396 10.9 Activity Versus Concentration for Nonelectrolytes / 417 11. Metal Complexation and Solubility 439 11.1 Perspective / 439 11.2 Hydration of Metal Ions / 440 11.3 Cumulative Formation Constants / 441 11.4 Formation Equilibria for Solids / 447 11.5 Speciation of Metals in Aqueous Solutions Containing Ligands / 448 11.6 Metal Hydroxide Solubility / 456 11.7 Solubility of Metal Carbonates / 467 11.8 Solubility of Other Metal–Ligand Solids / 511 12. Oxidation and Reduction 519 12.1 Perspective / 519 12.2 Redox Half Reactions / 520 12.3 The Nernst Equation / 533 12.4 Electron Availability in Environmental Systems / 535 Appendices 571 References 599 Index 602

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Book SynopsisContinuing the tradition of providing significant and interesting procedures, Organic Syntheses, Collective Volume XII is a compilation of revised editions of Annual Volumes 85 through 89. The contents of this volume are organized by primarily by reaction type, with the precise classification made according to the bias of the editor, who attempted to ascertain the primary purpose or utility of the procedure.Table of ContentsPreparation of (E)-(2-Iodovinyl)Benzene from Benzyl Bromide and Diiodomethane [(E)-β-Styryl Iodide] 1 Vinylation with Inexpensive Silicon-Based Reagents: Preparation of 3-Vinylquinoline and 4-Vinylbenzophenone 7 Organolithiums and Lithium 2,2,6,6-Tetramethylpiperidide in Reductive Alkylation of Epoxides: Synthesis of (E)-Alkenes [(E)-2-Methyltetradeca-1,3-Diene] 19 2-Methylenecyclopropanecarboxylic Acid Ethyl Ester 27 2-(2,2-Dibromoethenyl)-benzenamine 33 Stereoselective Nickel-Catalyzed 1,4-Hydroboration of 1,3-Dienes [(Z)-Dec-2-en-1-ol] 42 Synthesis of Ethyl 2-Ethanoyl-2-methyl-3-phenylbut-3-enoate 51 (±) trans-3,3′-(1,2-Cyclopropanediyl)bis-2-(E)-Propenoic Acid, Diethyl Ester: Tandem Oxidation Procedure (Top) Using Mno2 Oxidation-Stabilized Phosphorane Trapping 57 Stereoselective Synthesis of 3-Arylacrylates by Copper-Catalyzed Syn Hydroarylation [(E)-Methyl 3-phenyloct-2-enoate] 67 Tandem Nucleophilic Addition/Fragmentation of Vinylogous Acyl Triflates: 2-Methyl-2-(1-oxo-5-heptynyl)-1,3-dithiane 72 Synthesis of Ynamides by Copper-Mediated Coupling of 1,1-Dibromo-1-Alkenes with Nitrogen Nucleophiles. Preparation of 4-Methyl-N-(2-Phenylethynyl)-N-(Phenylmethyl)Benzenesulfonamide 81 Synthesis of Polyynes by In Situ Desilylative Bromination and Palladium-Catalyzed Coupling: (7-(Benzyloxy)hepta-1,3,5-triynyl)triisopropylsilane 93 Preparation of a 1-Alkoxy-1-Alkyne from Reaction of a 2,2,2-Trifluoroethyl Ether with an Alkyllithium Reagent: 1-Benzyloxymethoxy-1-Hexyne 103 An Economical Synthesis of 4-Trimethylsilyl-2-butyn-1-ol 110 Single-Step Synthesis of Alkynyl Imines from N-Vinyl and N-Aryl AmidesSynthesis of N-[1-Phenyl-3-(Trimethylsilyl)-2-Propynylidene]-Benzenamine 121 Lithiated Primary Alkyl Carbamates for the Homologation of Boronic Esters 127 Synthesis of (R)-2-Methoxy-N-(1-Phenylethyl)Acetamide via Dynamic Kinetic Resolution 138 Synthesis and Resolution of Racemic trans-2-(N-Benzyl)amino-1-cyclohexanol: Enantiomer Separation by Sequential Use of (R)- and (S)-Mandelic Acid [Cyclohexanol, 2-(N-benzyl)amino, (1S,2S)- and (1R,2R)-] 147 (Sa,S)-N-[2′-(4-Methylphenylsulfonamido)-1,1á-Binaphthyl-2-yl]pyrrolidine-2-carboxamide: An Organocatalyst for the Direct Aldol Reaction 157 Synthesis of (S)-8a-Methyl-3,4,8,8a-Tetrahydro-1,6-(2H,7H)-Naphthalenedione via N-Tosyl-(Sa)-BINAM-L-Prolinamide Organocatalysis 168 (S)-(–)-2-Allylcyclohexanone (2-Allylcyclohexan-1-one) 177 Synthesis and Diastereoselective Aldol Reactions of a Thiazolidinethione Chiral Auxiliary 187 Lithium Amides as Homochiral AmmoniaEquivalents for Conjugate Additions to α,β-Unsaturated Esters: Asymmetric Synthesis of (S)-β-Leucine 198 Fluoride Ring-Opening Kinetic Resolution of Terminal Epoxides: Preparation of (S)-2-Fluoro-1-Phenylethanol 214 (R)-3,3′-Bis(9-Phenanthryl)-1,1′-Binaphthalene-2,2′-Diyl Hydrogen Phosphate 222 Enantioselective Three-Component Reaction for the Preparation of β-Amino-α-Hydroxy Esters 232 Preparation of H,4 PyrrolidineQuin-BAM(PBAM) 241 Synthesis of tert-Butyl (1S,2S)-2-Methyl-3-Oxo-1-Phenyl propylcarbamate by AsymmetricMannich Reaction 253 Preparation of (Ra)-Methyl 3-(Dimethyl(phenyl)silyl)hexa-3,4-dienoate 258 Preparation of (S)-3,3′-Bis-Morpholinomethyl-5,5′,6,6′,7,7′,8,8′-Octahydro-1,1′-Bi-2-Naphthol 268 Catalytic Asymmetric Addition of an In-Situ Prepared Arylzinc to Cyclohexanecarboxaldehyde: (R)-(+)-α-Cyclohexyl-3-Methoxy-Benzenemethanol 276 Preparation of (S)-4-Isopropyl-N-Propanoyl-1,3-Thiazolidine-2-Thione 283 Stereoselective Synthesis of Anti α-Methyl-β-Methoxy Carboxylic Compounds 292 Organocatalytic Enantioselective Synthesis of Bicyclic β-Lactones from Aldehyde Acids via Nucleophile-Catalyzed Aldol-Lactonization (NCAL) 301 Synthesis of (+)-B-Allyldiisopinocampheylborane and Its Reaction with Aldehydes 316 Synthesis of (S,S)-Diisopropyl Tartrate (E)-Crotylboronate and Its Reaction with Aldehydes: (2R,3R,4R)-1,2-Dideoxy-2-Ethenyl-4,5-O-(1-Methylethylidene)-Xylitol 330 Benzyl Isopropoxymethyl Carbamate – An Aminomethylating Reagent for Mannich Reactions of Titanium Enolates 344 (R)-2-(Benzyloxycarbonylamino-Methyl)-3-Phenylpropanoic Acid (Z-β2hPhe-OH): Preparation of a β2-Amino Acid with the Auxiliary Dioz 350 Catalytic Enantioselective Addition of Terminal Alkynes to Aldehydes: Preparation of (S)-(-)-1,3-Diphenyl-2-propyn-1-ol and (S)-(-)-4-Methyl-1-phenyl-2-pentyn-1,4-diol 358 Preparation of (S)-tert-ButylPHOX (Oxazole, 4-(1,1-dimethylethyl) -2-[2-(diphenylphosphino)phenyl]-4,5-dihydro- (4S)-) 368 Preparation of (S)-2-Allyl-2-Methylcyclohexanone (Cyclohexanone, 2-methyl-2-(2-propen-1-yl)-, (2S)-) 379 High-Yielding, Large-Scale Synthesis of N-Protected-β-Aminonitriles: tert-Butyl (1R)-2-Cyano-1-Phenylethylcarbamate 395 (3R,7aS)-3-(Trichloromethyl)Tetrahydropyrrolo[1,2-C]Oxazol-1(3H)-one: An Air and Moisture Stable Reagent for the Synthesis of Optically Active α-Branched Prolines 405 Preparation of Enantioenriched Homoallylic Primary Amines 415 Synthesis of (2R,3R)-2,3-Dimethyl-1,4-Butanediol by Oxidative Homocoupling of (4S)-Isopropyl-3-Propionyl-2-Oxazolidinone[2,3-imethylbutane-1,4-diol, (2R, 3R)-] 423 OxoneⓇ-Mediated Synthesis of Benzimidazoles from 1,2-Phenylenediamines and Aldehydes: Preparation of 2-(4-Cyano-Phenyl)-1-[2-(3,4-imethoxyphenyl)-Ethyl]-1H-Benzimidazole-5-Carboxylic Acid Ethyl Ester 435 Synthesis of a N-Mesityl-Substituted Aminoindanol-Derived Triazolium Salt [(5aS,10bR)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2, 4-triazolo[4,3-d]-1,4-oxazinium chloride] 446 t-Butyl as a Pyrazole Protecting Group: Preparation and Use of 1-tert-Butyl-3-Methyl-1H-Pyrazole-5-Amine 459 Microwave-Assisted Synthesis of 1,3-Dimesitylimidazolinium Chloride 470 Regioselective Synthesis of 1,3,5-Trisubstituted Pyrazoles by the Reaction of N-Monosubstituted Hydrazones with Nitroolefins 479 Synthesis of 4,5-Dimethyl-1,3-dithiol-2-one 487 Cu-Catalyzed Azide-Alkyne Cycloaddition: Preparation of Tris((1-Benzyl-1H-1,2,3-Triazolyl)Methyl)Amine 497 An Intramolecular Amination of Aryl Halides with a Combination of Copper (I) Iodide and Cesium Acetate: Preparation of 5,6-Dimethoxyindole-1,2-Dicarboxylic Acid 1-Benzyl Ester 2-Methyl Ester 504 Preparation of a Non-Symmetrical Imidazolium Salt: 1-Adamantyl-3-Mesityl-4,5-Dimethylimidazolium Tetrafluoroborate 512 Efficient Oxidative Synthesis of (-)-2-tert-Butyl-(4S)-Benzyl-(1,3)-Oxazoline 520 Synthesis of Enantiopure Di(tert-Butyl) (2S,4S)-4-Hydroxy-6-Oxo-1,2-Piperidinedicarboxylate. A Useful Building Block for the Preparation of 4-Hydroxypipecolate Derivatives 529 Convenient Preparation of 3-Ethoxycarbonyl Benzofurans from Salicylaldehydes and Ethyl Diazoacetate 537 One-Pot Multicomponent Preparation of Tetrahydropyrazoloquinolinones and Tetrahydropyrazoloquinazolinones 545 Synthesis of 2-Arylindole-4-Carboxylic Amides: [2-(4-Fluorophenyl)-1H-Indol-4-yl]-1-Pyrrolidinylmethanone 554 One-Pot Synthesis of 5H-Indazolo-[3,2-b]Benzo[d]-1,3-Oxazine: Two Efficient Preparative Methods 566 Phosphine-Catalyzed [4+2] Annulation: Synthesis of Ethyl 6-Phenyl-1-Tosyl-1,2,5,6-Tetrahydropyridine-3-Carboxylate 575 Phosphine-Catalyzed [3 + 2] Annulation: Synthesis of Ethyl 5-(tert-Butyl)-2-Phenyl-1-Tosyl-3-Pyrroline-3-Carboxylate 586 Synthesis of Substituted Indazoles via [3+2] Cycloaddition of Benzyne and Diazo Compounds [1H-indazole-3-carboxylic acid, ethyl ester] 598 Synthesis of 2,3-Disubstituted Indoles via Palladium-Catalyzed Annulation of Internal Alkynes: 3-Methyl-2-(Trimethylsilyl)Indole 606 Synthesis of Quinolines by Electrophilic Cyclization of N-(2-Alkynyl)Anilines: 3-Iodo-4-Phenylquinoline 615 Preparation of 4-Spirocyclohexyloxazolidinone by C-H Bond Nitrene Insertion [3-Oxa-1-azaspiro[4.5]decan-2-one] 626 (S)-5-Pyrrolidin-2-yl-1H-tetrazole 635 Regioselective C-4 Bromination of Oxazoles: 4-Bromo-5-(thiophen-2-yl)oxazole 648 The Preparation of (2R,5S)-2-t-Butyl-3,5-dimethylimidazolidin-4-one 656 Facile Synthesis of 2-Ethyl-3-quinolinecarboxylic Acid Hydrochloride 667 Selective Trialkylation of Cyclen with tert-Butyl Bromoacetate [1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, Tri-tert-butyl Ester Hydrobromide] 673 Direct Synthesis of Azaheterocycles from N-Aryl/Vinyl Amides. Synthesis of 4-(Methylthio)-2-phenylquinazoline and 4-(4-Methoxyphenyl)-2-phenylquinoline 677 Direct Synthesis of 2,5-Dihalosiloles (2,5-Dibromo-1,1-dimethyl-3,4-diphenyl-1H-silole) 688 Ligand-Free Copper(II) Oxide Nanoparticles Catalyzed Synthesis of Substituted Benzoxazoles 697 Preparation of Chiral and Achiral Triazolium Salts: Carbene Precursors with Demonstrated Synthetic Utility 703 Enantioselective Preparation of Dihydropyrimidones [(S)-1-Benzyl-6-methyl-2-oxo-4-phenyl-1, 2, 3, 4-tetrahydropyrimidine-5-carboxylic methyl ester] 712 o-Aminobenzaldehyde, Redox-Neutral Aminal Formation and Synthesis of Deoxyvasicinone 726 Pd(0)-Catalyzed Diamination of trans-1-Phenyl-1,3-butadiene with Di-tert-Butyldiaziridinone as Nitrogen Source 733 Pd(0)-Catalyzed Asymmetric Allylic and Homoallylic Diamination of 4-Phenyl-1-butene With Di-tert-Butyldiaziridinone 741 The Preparation of Indazoles via Metal Free Intramolecular Electrophilic Amination of 2-Aminophenyl Ketoximes 750 Synthesis of Pyrazolo[1,5-a]Pyridines via Azirines: Preparation of 2-(3-Bromophenyl)-6-(Trifluoromethyl) Pyrazolo[1,5-a]Pyridine 757 Preparation of 3-Alkylated Oxindoles from N-Benzyl Aniline via a Cu(II)-Mediated Anilide Cyclization Process 766 Gram Scale Catalytic Asymmetric Aziridination: Preparation of (2R,3R)-Ethyl 1-Benzhydryl-3-(4-bromophenyl)aziridine 2-carboxylate 777 Preparation of Tetrahydroisoquinoline-3-ones Via Cyclization of Phenyl Acetamides Using Eaton′s Reagent 789 One-Pot Conversion of Lactam Carbamates to Cyclic Enecarbamates: Preparation of 1-tert-Butoxycarbonyl-2,3-Dihydropyrrole 797 Cyclohexene Imine (7-Aza-bicyclo[4.1.0]heptane) 803 Direct Fluorination of the Carbonyl Group of Benzophenones Using Deoxo-FluorⓇ: Preparation of Bis(4-Fluorophenyl)difluoromethane 810 Preparation of t-Butyl-3-Bromo-5-Formylbenzoate Through SelectiveMetal-Halogen Exchange Reactions 817 Amide Formation by Decarboxylative Condensation of Hydroxylamines and α-Ketoacids: N-[(1S)-1-Phenylethyl]benzeneacetamide 826 New, Convenient Route for Trifluoromethylation of Steroidal Molecules 832 Low Pressure Carbonylation of Epoxides to β-Lactones 841 Preparation of Cyclobutenone 849 Safe and Scalable Preparation of Barluenga′s Reagent (Bis(pyridine)iodonium(I) tetrafluoroborate) 858 Catalytic Intramolecular Friedel-Crafts Reaction of Benzyl Meldrum′s Acid Derivatives: Preparation of 5,6-Dimethoxy-2-methyl-1-indanone 867 Convenient Synthesis of α-Diazoacetates from α-Bromoacetates and N,N′-Ditosylhydrazine: Preparation of Benzyl Diazoacetate 876 Efficient Synthesis of Oxime Using O-TBS-N-Tosylhydroxylamine: Preparation of (2Z)-4-(Benzyloxy)but-2-enal Oxime 883 Protection of Diols with 4-(tert-Butyldimethylsilyloxy)- benzylidene Acetal and its Deprotection: (4-((4R,5R)-4,5-Diphenyl-1,3-dioxolan-2-yl)phenoxy) (tert-butyl)dimethylsilane 892 Tetrakis(dimethylamino)allene 901 A Practical Synthesis of Isocyanates from Isonitriles: Ethyl 2-Isocyanatoacetate 909 Silver-Catalyzed Rearrangement of Propargylic Sulfinates: Synthesis of Allenic Sulfones 913 Preparation of 1-Monoacylglycerols via the Suzuki-Miyaura Reaction: 2,3-Dihydroxypropyl (Z)-tetradec-7-enoate 919 Dibenzo[a,e]cyclooctene: Multi-gram Synthesis of a Bidentate Ligand 934 Preparation of Isopropyl 2-Diazoacetyl(Phenyl)Carbamate 943 Preparation of Ethyl 1-Benzyl-4-Fluoropiperidine-4-Carboxylate 953 Preparation and [2+2] Cycloaddition of 1-Triisopropylsiloxy-1-Hexyne with Methyl Crotonate: 3-Butyl-4-Methyl-2-Triisopropylsiloxy-Cyclobut-2-Enecarboxylic AcidMethyl Ester 957 1,3,5-Triacetylbenzene 965 An Efficient and Scalable Ritter Reaction for the Synthesis of t-Butyl Amides 972 Palladium-Catalyzed Dehydrative Allylation of Hypophosphorous Acid with Allylic AlcoholsPreparation of Cinnamyl-H-Phosphinic Acid 979 Synthesis of Tetraorganosilanes: (Chloromethyl)Dimethylphenylsilane 987 Organocatalytic α-Methylenation of Aldehydes: Preparation of 3,7-Dimethyl-2-Methylene-6-Octenal 991 Preparation of Cycloheptane-1,3-Dione via Reductive Ring Expansion of 1-Trimethylsilyloxy-7,7-dichlorobicyclo[3.2.0]heptan-6-one (Cycloheptane-1,3-dione) 997 Synthesis of Trifluoromethyl Ketones from Carboxylic Acids: 4-(3,4-Dibromophenyl)-1,1,1-trifluoro-4-methylpentan-2-one 1004 Synthesis of 2-[3,3′-Di-(tert-Butoxycarbonyl)-aminodipropylamine]-4,6,-dichloro-1,3,5-triazine as a Monomer and 1,3,5-[Tris-Piperazine]-triazine as a Core for the Large Scale Synthesis of Melamine (Triazine) Dendrimers 1012 Large Scale, Green Synthesis of a Generation-1 Melamine (Triazine) Dendrimer 1020 Synthesis of Enamides from Ketones: Preparation of N-(3,4-Dihydronaphthalene-1-yl)acetamide 1028 The Direct Acyl-Alkylation of ArynesPreparation of Methyl 2-(2-Acetylphenyl)acetate 1040 Preparation of a Trifluoromethyl Transfer Agent: 1-Trifluoromethyl-1,3-Dihydro-3,3-Dimethyl-1,2-Benziodoxole 1049 Preparation of Horner-Wadsworth-Emmons Reagent: Methyl 2-Benzyloxycarbonylamino-2-(Dimethoxyphosphinyl) acetate 1059 Enals via a Simple Two-Carbon Homologation of Aldehydes and Ketones 1067 Gold(I)-Catalyzed Decarboxylative Allylic Amination of Allylic N-Tosylcarbamates 1075 Synthesis of Cyclobutarenes by Palladium-Catalyzed C(sp3)-H Bond Arylation: Preparation of Methyl 7-Methylbicyclo[4.2.0]Octa-1,3,5-Triene-7-Carboxylate 1083 B-Protected Haloboronic Acids for Iterative Cross-Coupling 1090 Synthesis of (3-Chlorobutyl)Benzene by the Cobalt-catalyzed Hydrochlorination of 4-Phenyl-1-butene 1104 Copper-Catalyzed Three-Component Reaction of 1-Alkynes, Sulfonyl Azides, And Water: N-(4-Acetamidophenylsulfonyl)-2-Phenylacetamide 1109 Synthesis of Dimethyl 2-Phenylcyclopropane-1, 1-Dicarboxylate Using an Iodonium Ylide Derived from Dimethyl Malonate 1115 Palladium (II) Acetate-Butyl Di-1-adamantylphosphine Catalyzed Arylation of Electron-Rich HeterocyclesPreparation of 5-Phenyl-2-isobutylthiazole 1124 General Method for Copper-Catalyzed Arylation of Acidic Arene C-H BondsPreparation of 2-Chloro-5-(3-Methylphenyl)-Thiophene 1131 Rhodium-Catalyzed Enantioselective Addition of Arylboronic Acids to In Situ Generated N-Boc AryliminesPreparation of (S)-tert-Butyl (4-Chlorophenyl)(thiophen-2-yl) methylcarbamate 1138 Synthesis of 2-Aryl Pyridines by Palladium-Catalyzed Direct Arylation of Pyridine N-Oxides 1150 Nickel-Catalyzed Enantioselective Negishi Cross-Couplings of Racemic Secondary α-Bromo Amides with Alkylzinc Reagents: (S)-N-Benzyl-7-cyano-2-ethyl-N-phenylheptanamide 1159 Palladium-Catalyzed Alkyl-Alkyl Suzuki Cross-Couplings of Primary Alkyl Bromides at Room Temperature: (13-Chlorotridecyloxy)triethylsilane 1166 Synthesis of Chiral Pyridine Bis(Oxazoline) Ligands for Nickel-Catalyzed Asymmetric Negishi Cross-Couplings of Secondary Allylic Chlorides with Alkylzincs: 2,6-Bis[(4R)-4,5-Dihydro-4-(2-phenylethyl)-2-oxazolyl]-Pyridine 1175 Nickel-catalyzed Asymmetric Negishi Cross-Couplings of Racemic Secondary Allylic Chlorides With Alkylzincs: (S,E)-Ethyl 6-(1,3-Dioxolan-2-yl)-4-methylhex-2-enoate 1180 Synthesis of 2-Substituted Biaryls via Cu/Pd-Catalyzed Decarboxylative Cross-Coupling of 2-Substituted Potassium Benzoates: 4-Methyl-2′-Nitrobiphenyl and 2-Acetyl-4′-Methylbiphenyl 1191 α-Arylation of Esters Catalyzed by the Pd(I) Dimer [P(t-Bu)3Pd(μ-Br)]2 1202 Ruthenium-Catalyzed Arylation of Ortho C-H Bond in an Aromatic with an Arylboronate: 8-Phenyl-1-Tetralone 1210 Magnesiation of Weakly Activated Arenes using tmp2Mg⋅2LiCl: Synthesis of tert-Butyl Ethyl Phthalate 1217 Synthesis of (2R)-3-[[(1,1-Dimethylethyl) dimethylsilyl]oxy]-2-methylpropanal by Rhodium-Catalyzed Asymmetric Hydroformylation 1226 Multicomponent Synthesis of Tertiary Diarylmethylamines: 1-((4-Fluorophenyl)(4-methoxyphenyl)methyl)piperidine 1236 Anhydrous Hydration of Nitriles to Amides: p-Carbomethoxybenzamide 1246 Synthesis of 8,8-Dipropylbicyclo[4.2.0]octa-1,3,5-trien-7-one via Pd-catalyzed Intramolecular C-H Bond-Acylation 1251 Synthesis of Lithium 2-Pyridyltriolborate and Its Cross-Coupling Reaction with Aryl Halides 1261 (R)-2,2′-Binaphthoyl-(S,S)-di(1-phenylethyl) Aminophosphine. Scalable Protocols for the Syntheses of Phosphoramidite (Feringa) Ligands 1267 (R)-3-Methyl-3-Phenyl-1-Pentene Via Catalytic Asymmetric Hydrovinylation 1275 Synthesis of Aminoarenethiolato-Copper(I) Complexes 1291 The Preparation of Cyclohept-4-enones by Rhodium-Catalyzed Intermolecular [5+2] Cycloaddition 1299 Benzyl Alcohol as an Alkylating Agent Using the Ruthenium-Catalyzed Borrowing Hydrogen Strategy 1309 Palladium-Catalyzed Cross-Coupling Using an Air-Stable Trimethylaluminum SourcePreparation of Ethyl 4-Methylbenzoate 1315 One-Pot Diazotization and Heck Reaction of Methyl Anthranilate: 2-(3-Oxopropyl)benzoic AcidMethyl Ester 1325 Diphenyldiazomethane 1329 Allylic Oxidation Catalyzed by Dirhodium(II) Tetrakis[ϵ-caprolactamate] of tert-Butyldimethylsilyl-protected trans-Dehydroandrosterone 1335 2-Iodoxy-5-Methylbenzenesulfonic Acid-Catalyzed Selective Oxidation of 4-Bromobenzyl Alcohol to 4-Bromobenzaldehyde or 4-Bromobenzoic Acid with Oxone 1348 Enantioselective Oxidation of an Alkyl Aryl Sulfide: Synthesis of (S)-(–)-Methyl p-Bromophenyl Sulfoxide 1356 tert-Butyl tert-Butyldimethylsilylglyoxylate: A Useful Conjunctive Reagent 1363 Mild and Efficient One-Pot Curtius Rearrangement: Preparation of N-tert-Butyl Adamantanyl-1-yl-carbamate 1370 The Preparation of Amides by Copper-Mediated Oxidative Coupling of Aldehydes and Amine Hydrochloride Salts 1376 Efficient One-Pot Synthesis of Bis(4-tert-Butylphenyl)iodonium Triflate 1382 Synthesis of Et2SBr•SbCl5Br and Its Use in Biomimetic Brominative Polyene Cyclizations 1388 Stereoselective Synthesis of (E)-2,3-Dibromobut-2-enoic Acid 1402 Metal-Free One-Pot Oxidative Amination of Aromatic Aldehydes: Conversion of Benzaldehyde to N-Benzoyl Pyrrolidine 1407 A Practical And Scalable Synthesis of N-Halo Compounds: 2-Chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 1413 Mild Conversion of Tertiary Amides to Aldehydes Using Cp2Zr(H)Cl (Schwartz′s Reagent) 1420 Preparation of (3,5-Dimethoxy-1-phenyl-cyclohexa-2,5-dienyl)-acetonitrile through Birch Reductive Alkylation (BRA) 1429 Preparation of N-Isopropylidene-N′-2-Nitrobenzenesulfonyl Hydrazine (IPNBSH) and Its Use in Palladium–catalyzed Synthesis of Monoalkyl DiazenesSynthesis of 9-Allylanthracene 1437 Synthesis of Spiroborate Esters from 1,2-Aminoalcohols, Ethylene Glycol and Triisopropyl Borate: Preparation of (S)-1-(1,3,2-Dioxaborolan-2-yloxy)-3-methyl-1, 1-diphenylbutan-2-amine 1449 Catalytic Enantioselective Borane Reduction of Benzyl Oximes: Preparation of (S)-1-Pyridin-3-yl-ethylamine Bis-hydrochloride 1458 Reductive Radical Decarboxylation of Aliphatic Carboxylic Acids 1473

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Book SynopsisBecause it is critically important to manufacture quality products, a reasonable balance must be drawn between control requirements and parameters for improved processing method with respect to plastics additives.Table of ContentsPreface xv 1 Introduction 1 1.1 Polymer Blends 2 1.2 Polymer Composites 2 1.3 Blends and Composites – Advantages 3 1.4 Summary 4 References 4 2 Polymers 7 2.1 Macromolecules 7 2.2 Types of Polymers 8 2.2.1 Thermoplastic Polymers 9 2.2.2 Thermoset Polymers 10 2.3 Polymerization 10 2.4 Polymerization Techniques 10 2.5 Synthetic Polymers 14 2.5.1 Thermoplastics 15 2.5.2 Polyolefins 16 2.5.3 Polyethylene (PE) 16 2.5.3.1 Physical Properties 17 2.5.3.2 Chemical Properties 18 2.5.3.3 Low-Density Polyethylene (LDPE) 19 2.5.3.4 Linear Low-Density Polyethylene (LLDPE) 20 2.5.3.5 High-Density Polyethylene (HDPE) 21 2.5.3.6 Ultra-High Molecular Weight Polyethylene (UHMWPE) 22 2.5.4 Polypropylene (PP) 22 2.5.5 Polyvinylchloride (PVC) 23 2.5.5.1 Rigid PVC 24 2.5.6 Polystyrene (PS) 24 2.5.7 Polyethylene Terephthalate (PET) 25 2.6 Engineering Polymers 26 2.6.1 Acrylonitrile-Butadiene-Styrene (ABS) 27 2.6.2 Polyamide (PA) 28 2.6.3 Polycarbonate (PC) 29 2.6.4 Poly(methylmethacrylate) (PMMA) 30 2.6.5 Poly(ether ether ketone) (PEEK) 32 2.6.6 Poly(butylene terephthalate) (PBT) 33 2.7 Natural Polymers 33 2.7.1 Cellulose 34 2.7.2 Wood 34 2.7.3 Starch 35 2.7.4 Lignin 35 2.7.5 Chitosan 36 2.7.6 Poly(lactic acid) (PLA) 36 2.7.7 Poly(L-lactic acid) (PLLA) 37 2.8 Biodegradable Polymers 37 2.8.1 Poly(lactic acid) (PLA) 38 2.8.2 Polycaprolactone (PCL) 39 2.8.3 Poly(lactide-co-glycolide) (PLGA) 39 2.8.4 Thermosets 39 2.8.5 Phenolic Resins 40 2.8.6 Epoxy Resins 41 2.8.7 Polyurethanes 42 2.8.8 Silicone Resins 43 2.8.9 Amino Resins 43 2.8.10 Melamine Resins 43 2.8.11 Unsaturated Polyester Resins 43 2.8.12 Bismaleimide (BMI) 44 2.9 Trends 44 2.10 Summary 45 References 45 3 Polymer Properties 57 3.1 Chemistry 58 3.2 Polymer Properties 58 3.2.1 Glass Transition Temperature (Tg) 60 3.2.2 Crystallinity 61 3.2.3 Tacticity 63 3.2.4 Intermolecular Forces 63 3.2.4.1 Dipole Moment 64 3.2.4.2 Phase Behavior 64 3.3 Surface Properties 65 3.3.1 Viscoelastic Properties 65 3.3.2 Mechanical Properties 67 3.3.3 Tensile Properties 67 3.3.4 Electrical Properties 68 3.3.5 Thermal Properties 68 3.3.6 Magnetic Properties 68 3.3.7 Barrier Properties 69 3.3.8 Rheological Properties 69 3.3.9 Elastic Properties 69 3.3.10 Thermodynamic Properties 70 3.4 Catalysis 70 3.5 Factors Affecting Polymer Properties 71 3.6 Summary 72 References 72 4 Additives 77 4.1 Polymer Additives 77 4.2 Additives Influencing Blends and Composites 78 4.2.1 Antioxidants 78 4.2.2 Light Stabilizers 80 4.2.3 Heat Stabilizers 80 4.2.4 Plasticizers 81 4.2.5 Lubricants 83 4.2.6 Silp Additives 84 4.2.7 Antiblocking Additives 85 4.3 Processing Aids 85 4.3.1 Viscosity Modifiers 86 4.3.2 Accelerators 86 4.3.3 Mold Release Agents 87 4.3.4 Coupling Agents 87 4.3.5 Fillers 88 4.3.6 Flame Retardants 90 4.3.7 Antistatic Agents 91 4.3.8 Colorants 92 4.3.9 Antimicrobial Agents (Biocides) 92 4.3.10 Crosslinking Agents 93 4.3.11 Peroxides 94 4.3.12 Foaming Agents 95 4.3.13 Coupling/Dispersing Agents 96 4.3.14 Comonomers 97 4.3.15 Impact Modifiers 97 4.3.16 Natural Fibers 98 4.3.17 Copolymers as Additives 99 4.3.17.1 Compatibilizers 99 4.3.18 Interfacial Agents 100 4.3.18.1 Block Copolymers 101 4.3.18.2 Random Copolymer 103 4.3.18.3 Graft Polymers 103 4.4 Summary 104 References 104 5 Polymer Blends and Composites 113 5.1 Properties of Polymer Blends 114 5.1.1 Physicochemical Properties 115 5.1.2 Morphological Properties 116 5.1.2.1 Blend Structure 116 5.1.2.2 Phase Morphology 117 5.1.2.3 Crystallization and Morphology 119 5.1.2.4 Molecular Weight 120 5.1.2.5 Particle Size and Particle Size Distribution 121 5.1.3 Surface Properties 121 5.1.3.1 Surface Tension 121 5.1.3.2 Interfacial Modification 122 5.1.4 Rheological Properties 124 5.1.4.1 Copolymerization and Blending 125 5.1.5 Polymer Composite Properties 131 5.1.5.1 Structure 131 5.1.5.2 Crosslinking 133 5.1.5.3 Reinforcement 133 5.1.5.4 Crystalline Behavior 133 5.1.5.5 Mechanical Properties 134 5.1.5.6 Tribological Properties 134 5.1.5.7 Conductive Properties 135 5.2 Summary 135 References 136 6 Properties of Polymer Blends and Composites 145 6.1 Properties of Blends and Composites 146 6.1.1 Mechanical Properties 146 6.1.1.1 Tacticity 146 6.1.1.2 Interfacial Adhesion 147 6.1.1.3 Surface Composition and Concentration 147 6.1.2 Tensile Properties 149 6.1.3 Electrical Properties 149 6.1.4 Thermal Properties 149 6.1.5 Magnetic Properties 150 6.1.6 Viscoelastic Properties 150 6.1.7 Thermodynamic Properties 151 6.1.8 Barrier Properties 151 6.2 Summary 152 References 152 7 Polymer Blends 155 7.2.1 Interaction Parameters 157 7.2.2 Colloidal Properties 158 7.2.3 Morphology 158 7.2.4 Phase Separation 159 7.2.5 Crystallinity 159 7.2.6 Dispersion 160 7.2.7 Physicochemical Properties 160 7.3 Compatibilization 161 7.3.1 Reactive Compatibilizers 161 7.4 Classification 161 7.4.1 Miscible Blends 161 7.4.2 Immiscible Blends 162 7.4.3 Immiscible and Miscible Blends 163 7.4.4 Binary Blends 163 7.4.5 Ternary Blends 164 7.4.6 Homopolymer and Copolymer Blends 166 7.4.7 Thermoset-Thermoplastic Blends 166 7.4.8 Reactive Copolymer Blends 166 7.4.9 Commercial Blends 167 7.4.9.1 Polyolefin Blends 167 7.4.9.2 Polyethylene Blends 169 7.4.9.3 Polypropylene Blends 171 7.4.9.4 Poly(ethylene oxide) Blends 172 7.4.9.5 Polystyrene Blends 172 7.4.9.6 Polyvinylchloride Blends 173 7.4.9.7 Polyesters 175 7.4.9.8 Polyamide Blends 176 7.4.9.9 Acrylics Blends 178 7.4.10 Acrolonitrile-Butadiene-Styrene Blends 180 7.4.11 Polycarbonate Blends 181 7.4.12 Chlorinated Polyethylene Blends 182 7.4.13 Biopolymer Blends 183 7.4.13.1 Poly(lactic acid) Blends 183 7.4.14 Poly(ε-caprolactone) Blends 184 7.4.15 Cyclic Polymer Blends 184 7.4.16 Polyethylene Oxide Blends 184 7.4.17 Other Polymer Blends 185 7.5 Advantage of Polymer Blends 186 7.6 Summary 186 References 187 8 Polymer Composites 199 8.1 Polymeric Phase 200 8.2 Reinforcing Phase 200 8.3 Classification 200 8.4 Characteristics 201 8.4.1 Physical Properties 202 8.5 Reinforcing Agents 203 8.5.1 Advantages 203 8.5.2 Shortcomings 203 8.6 Fillers 203 8.6.1 Surface Modification 205 8.6.2 Boron Trinitride 205 8.6.3 Carbon Black 205 8.6.4 Mineral Fillers 206 8.6.4.1 Calcium Carbonate (CaCO3) 206 8.6.4.2 Mica 207 8.7 Fibers 207 8.7.1 Fiber Length 208 8.7.2 Synthetic Fibers 208 8.7.2.1 Carbon Fiber 208 8.7.2.2 Fiberglass 209 8.7.2.3 Aromatic Polyamide Fibers 210 8.8 Composites Classification 210 8.8.1 Mechanical Properties 211 8.8.2 Thermoplastic Composites 212 8.8.3 Filler Reinforced Polymeric Composites 212 8.8.4 Conducting Polymer Composites 212 8.8.5 Fiber Reinforced Composites 213 8.8.6 Continuous Fiber Composites 213 8.8.7 Discontinuous Fiber Reinforced Polymers 214 8.8.8 Carbon Fiber Reinforced Composites 214 8.9 Thermoset Composites 215 8.9.1 Advantages 216 8.10 Thermoplastic vs Thermoset Composites 216 8.11 Summary 217 References 218 9 Biocomposites 223 9.1 Natural Fillers 223 9.1.1 Wood Flour 224 9.2 Natural Fibers 224 9.2.1 Treatments of Natural Fibers 225 9.2.1.1 Silanes 225 9.2.1.2 Benzoylation and Acrylation 226 9.2.1.3 Coupling Agents 226 9.2.1.4 Dispersing Agents 226 9.2.2 Wood Fibers 226 9.2.3 Cellulosic Fibers 227 9.2.4 Other Natural Fibers 228 9.2.5 Shortcomings 228 9.3 Thermoplastic Materials 228 9.4 Natural Polymer Composites 228 9.5 Wood-Polymer Composites 229 9.5.1 Properties 230 9.5.2 Advantages 230 9.5.3 Disadvantages 231 9.5.4 Applications 231 9.6 Biocomposites 231 9.6.1 Glucose-Based Biocomposites 231 9.6.2 Polylactide Composites 232 9.7 Future Trends 232 9.8 Summary 233 References 233 10 Processing Technology 237 10.1 Processing Technology 237 10.2 Processing Requirements 238 10.3 Processing Polymer Blends 239 10.3.1 Devolatilization 239 10.3.2 Mixing 239 10.4 Selection of Polymers 240 10.4.1 Immiscible Polymer Blends 241 10.5 Machine Selection 241 10.6 Processing Polymer Composites 242 10.6.1 Melt Mixing 242 10.7 Thermoset Polymers 243 10.8 Processing Technology for Polymer Blends and Composites 243 10.8.1 Injection Molding 243 10.8.2 Extrusion Technology 246 10.8.2.1 Single Screw Extrusion 246 10.8.2.2 Twin Screw Extrusion 248 10.8.3 Thermoforming 250 10.8.4 Reactive Blending 252 10.8.4.1 Reaction Extrusion 253 10.8.4.1 Prepolymer 254 10.8.5 Curing 254 10.8.5.1 Autoclave Curing 254 10.8.6 Lay-Up and Spray-Up Techniques 255 10.8.7 Pultrusion 255 10.8.8 Sheet Molding Compound 256 10.8.9 Compression Molding 258 10.8.9.1 Shortcomings 260 10.8.10 Resin Transfer Molding 260 10.9 Wood-Polymer Composites 261 10.9.1 Injection Molding 262 10.9.2 Extrusion 262 10.9.3 Microcellular Foam Process 264 10.10 Recycling 266 10.11 Summary 267 References 268 11 Blends, Composites and the Environment 275 11.1 Recycling of Polymer Wastes 276 11.2 Polymer Blends and Composites Recycling 277 11.2.1 Pyrolysis 277 11.2.2 Energy Conversion 278 11.2.3 Recycling of Polymer Composites 278 11.2.4 Grinding 278 11.2.5 Reinforcing Agent Separation 280 11.3 Shortcomings 280 11.4 Present Needs 281 11.5 Future Commitment 282 References 282 12 Future Trends 285 12.1 Blends and Composites 286 12.2 Blend and Composite Requirements 286 12.3 Future Benefits 287 12.3.1 Automobile Applications 287 12.3.2 Aerospace Applications 287 12.3.3 High Strength Particle 287 12.3.4 Tribological Performance 287 12.4 Greener Processing 288 12.4.1 Use of Recycled Polymer 288 12.4.2 Present Trends 289 12.5 Future Trends 290 12.6 Summary 290 References 291

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Book SynopsisPlastics Additives and Testing is a practical book for engineers and operators and discusses both inorganic and organic chemicals that are widely used as additives in plastics processing operations. It is common practice today to use analytical techniques to improve plastics processing.Table of ContentsPreface xiii 1 Introduction 1 1.1 Summary 4 References 4 2 Thermoplastics and Thermosets 5 2.1 Benefits/Advantages of Plastics 5 2.2 Classification 7 2.3 Thermoplastics 7 2.4 Thermosets 22 3 Types of Additives 35 3.1 Selection of Additives 36 3.2 Surface Property Modifiers 36 3.3 Chemical Property Modifiers 40 3.4 Processing Modifiers 45 3.5 Mechanical Property Modifiers 53 3.6 Aesthetic Property Modifiers 59 3.7 Other Additives 61 3.8 Additives from Natural Sources 64 References 65 4 Plastics Additive and Chemistry 73 4.1 Properties of Plastics 74 4.2 Chemistry of Additives 74 4.3 Chemical Properties of Additives 75 References 94 5 Organic Additives 101 5.1 Antioxidants 102 5.2 Antistatic Agents 102 5.3 Antifogging Agents 103 5.4 Antiblocking Agents 104 5.5 Slip Additives 105 5.6 UV Stabilizers 105 5.7 Nucleating Agents 107 5.8 Flame Retardants 107 5.9 Lubricants 110 5.10 Plasticizers 112 5.11 Impact Modifiers 113 5.12 Fillers 113 5.13 Organic Colorants 115 5.14 Foaming Agents 117 5.15 Chain Extenders 118 5.16 Organic Peroxides 118 5.17 Accelerators 119 5.18 Activators 119 References 120 6 Inorganic Additives 125 6.1 Heat Stabilizers 126 6.2 Flame Retardants 127 6.3 Fillers 128 6.4 Blowing Agents 137 6.5 Inorganic Colorants 138 6.6 Antimicrobial Agents 139 References 140 7 Additives and Processing 145 7.1 Plastics Processing 145 7.2 Nature of Plastics 146 7.3 Nature of Additives 148 7.4 Plastics Processing Technology 149 7.5 Injection Molding 150 7.6 Extrusion 153 7.7 Blow Molding 157 7.8 Thermoforming 157 7.9 Role of Additive 158 7.10 Rotational Molding 159 7.11 Calendering 160 7.12 Thermosets and Processing 161 References 163 8 Identification of Additives 167 8.1 Melting and Boiling Point 168 8.2 Organic Additives 168 8.3 Inorganic Additives 171 8.4 Morphology 173 8.5 Mass Spectrometry 173 8.6 Scanning Electron Microscopy (SEM) 173 8.7 Benefits 174 References 174 9 Testing of Additives 177 9.1 Plastics and Additives in Analysis 178 9.2 Properties of Additives 178 9.3 Testing of Additives 179 9.4 Brabender Plastographs 179 9.5 Extraction of Polymer Additives Systems 181 9.6 Liquid Chromatography 184 9.7 Gas Chromatography 186 9.8 Thermal Analysis 189 9.9 Thermogravimetric-Mass Spectrometry 192 9.10 FTIR Spectroscopy 194 9.11 Quantitative Analysis of Additives 196 9.12 Quality Control 198 References 199 10 Future Trends 203 10.1 In Plastics Packaging 204 10.2 In Medicine 204 10.3 In Electrical and Electronics Industries 205 10.4 In Building 205 10.5 In Engineering 205 10.6 Present Trends 206 10.7 Future Requirements 208 References 209 Index 000

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Book SynopsisThis book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties.Trade Review“Following this text’s clear explanations, even readers with limited backgrounds in quantum mechanics will learn how to perform sophisticated explorations of modern bonding and valency concepts.” (Chimie Nouvelle, 1 March 2013)Table of ContentsPreface 1 Getting Started 1.1 Talking to your electronic structure system 1.2 Helpful tools 1.3 General $NBO keylist usage 1.4 Producing orbital imagery Problems and Exercises 2 Electrons in Atoms 2.1 Finding the electrons in atomic wavefunctions 2.2 Atomic orbitals and their graphical representation 2.3 Atomic electron configurations 2.4 How to find electronic orbitals and configurations in NBO output 2.5 Natural Atomic Orbitals and the Natural Minimal Basis Problems and Exercises 3 Atoms in Molecules 3.1 Atomic orbitals in molecules 3.2 Atomic configurations and atomic charges in molecules 3.3 Atoms in open-shell molecules Problems and Exercises 4 Hybrids and Bonds in Molecules 4.1 Bonds and lone pairs in molecules 4.2 Atomic hybrids and bonding geometry 4.3 Bond polarity, electronegativity, and Bent's rule 4.4 Electron-deficient 3-center bonds 4.5 Open-shell Lewis structures 4.6 Lewis-like structures in transition metal bonding Problems and Exercises 5 Resonance Delocalization Corrections 5.1 The Natural Lewis Structure perturbative model 5.2 2nd-order perturbative analysis of donor-acceptor interactions 5.3 $DEL energetic analysis 5.4 Delocalization tails of Natural Localized Molecular Orbitals 5.5 How to $CHOOSE alternative Lewis structures 5.6 Natural Resonance Theory Problems and Exercises 6 Steric and Electrostatic Effects 6.1 Nature and evaluation of steric interactions 6.2 Electrostatic and dipolar analysis Problems and Exercises 7 Nuclear and Electronic Spin Effects 7.1 NMR chemical shielding analysis 7.2 NMR J-coupling analysis 7.3 ESR spin-density distribution Problems and Exercises 8 Coordination and Hyperbonding 8.1 Lewis acid-base complexes 8.2 Transition metal coordinate bonding 8.3 Three-center, four-electron hyperbonding Problems and Exercises 9 Intermolecular Interactions 9.1 Hydrogen-bonded complexes 9.2 Other donor-acceptor complexes 9.3 Natural energy decomposition analysis Problems and Exercises 10 Transition State Species and Chemical Reactions 10.1 Ambivalent Lewis structures: the transition-state limit 10.2 Example: bimolecular formation of formaldehyde 10.3 Example: unimolecular isomerization of formaldehyde 10.4 Example: SN2 halide exchange reaction Problems and Exercises 11 Excited State Chemistry 11.1 Getting to the “root” of the problem 11.2 Illustrative applications to NO excitations 11.3 Finding common ground: state-to-state NBO transferability 11.4 NBO/NRT description of excited state structure and reactivity 11.5 Conical intersections and intersystem crossings Problems and Exercises Appendix A: What's Under the Hood? Appendix B: Orbital Graphics: The NBOView Orbital Plotter Appendix C: Digging at the Details Appendix D: What if Something Goes Wrong? Appendix E: Atomic Units and Conversion Factors

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Book SynopsisThis book covers two areas, the first detailing the concepts and technologies of drug-device combination products. The second area includes case studies of important products that either significantly shape our technologies and thinking, or contribute to current healthcare practice. The book: Discusses where drugs and devices work, where they fail, and when they need to work with each other Reviews interactions betweenhuman bodies and the drug-device combination productsthe measurements of these interactions Covers how a drug-device combination product is developed, tested, and regulated Includes case studies of steroid releasing leads, AOA treated tissue heart valves, intrathecal drug delivery pumps, infuse bone grafts, drug eluting stents, and antimicrobial meshes Table of ContentsFOREWORD vii PREFACE ix PART I BACKGROUNDS 1 1 Addressing Medical Device Challenges with Drug–Device Combinations 3 2 Historical Survey of Drug Delivery Devices 39 3 Development of Combination Product Drug Delivery Systems 66 4 Drug–Material Interactions, Materials Selection, and Manufacturing Methods 89 PART II PRODUCTS 117 5 Steroid-Releasing Lead 119 6 Thromboresistant Vascular Graft 142 7 Device-Enabled Drug Infusion Therapies 182 8 Promus Element Plus®: A Drug-Eluting Stent 214 9 Infuse® Bone Graft 241 INDEX 261

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Book SynopsisThis book comprehensively reviews research on new developments in all areas of food chemistry/science and technology.Trade Review“The editors provide a wide-ranging review that imparts an historical prospective to contemporary innovative food science research and development efforts and challenges.” (Journal of Aquatic Food Product Technology, 25 December 2013)Table of ContentsList of Contributors 1 Food Chemistry and Technology Visakh P.M., Sabu Thomas, Laura B. Iturriaga and Pablo Daniel Ribotta 1.1 Food Security 1 1.2 Nanotechnology in Food Applications 4 1.3 Frozen Food and Technology 5 1.4 Chemical and Functional Properties of Food Components 7 1.5 Food: Production, Properties and Quality 8 1.6 Safety of Enzyme Preparations Used in Food 10 1.7 Trace Element Speciation in Food 11 1.8 Bio-nanocomposites for Natural Food Packaging 13 References 14 2 Food Security: A Global Problem 19 Donatella Restuccia, Umile Gianfranco Spizzirri, Francesco Puoci, Giuseppe Cirillo, Ortensia Ilaria Parisi, Giuliana Vinci and Nevio Picci 2.1 Food Security: Definitions and Basic Concepts 20 2.2 Main Causes of Food Insecurity 27 2.3 The Food Insecurity Dimension 50 2.4 Conclusions 93 References 95 3 Nanotechnology in Food Applications 103 Rui M. S. Cruz, Javiera F. Rubilar, Igor Khmelinskii and Margarida C. Vieira 3.1 What is Nanotechnology? 103 3.2 Food Formulations 105 3.3 Food Packaging 107 3.4 Regulation Issues and Consumer Perception 115 Acknowledgements 116 References 116 4 Frozen Food and Technology 123 Elisabete M. C. Alexandre, Teresa R. S. Brandão and Cristina L. M. Silva 4.1 Introduction 124 4.2 Treatments: Pre-freezing 125 4.3 Freezing Process 129 4.4 Freezing Methods and Equipment 131 4.5 Effect of Freezing and Frozen Storage on Food Properties 142 4.6 Final Remarks 146 References 147 5 Chemical and Functional Properties of Food Components 151 Campos-Montiel R. G., Pimentel-González D. J. and Figueira A. C. 5.1 Introduction 151 5.2 Functional and Chemical Properties of Food Components 152 5.3 Nutritional Value and Sensory Properties of Food 168 5.4 Postharvest Storage and Processing 174 5.5 Conclusion 177 Acknowledgements 178 References 178 6 Food: Production, Properties and Quality 185 Yantyati Widyastuti, Tatik Khusniati and Endang Sutriswati Rahayu 6.1 Introduction 185 6.2 Food Production 186 6.3 Factors Affecting Production and Improvement of Food 187 6.4 Food Properties 196 6.5 Food Quality 197 References 199 7 Regulatory Aspects of Food Ingredients in the United States: Focus on the Safety of Enzyme Preparations Used in Food 201 Shayla West-Barnette and Jannavi R. Srinivasan 7.1 Introduction 202 7.2 Regulatory History of Food Ingredients: Guided by Safety 202 7.3 Scientific Advancement as Part of the Regulatory History of Enzyme Preparations 206 7.4 Safety Evaluation of Enzyme Preparations 216 7.5 Conclusion 223 Acknowledgements 223 References 223 8 Trace Element Speciation in Food 227 Paula Berton, Estefania M. Martinis and Rodolfo G. Wuilloud 8.1 Introduction 228 8.2 Implications of Toxic Elements Speciation for Food Safety 230 8.3 Elemental Species and Its Impact on the Nutritional Value of Food 238 8.4 Elemental Species in Food Processing 243 8.5 Potential Functional Food Derived from Health Benefits of Elemental Species 246 8.6 Analytical Methods for Food Elemental Speciation Analysis 249 8.7 Conclusions 256 References 257 9 Bionanocomposites for Natural Food Packing 265 Bibin Mathew Cherian, Gabriel Molina de Olyveiro, Ligia Maria Manzine Costa, Alcides Lopes Leäo, Marcia Rodrigues de Morais Chaves, Sivoney Ferreira de Souza and Suresh Narine 9.1 Introduction 266 9.2 Natural Biopolymer-based Films 267 9.3 Modification of Film Properties 274 9.4 Environmental Impact of Bionanocomposites Materials 290 9.5 Conclusions and Future Perspectives 294 References 294 Index 301

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Table of ContentsHydrogen-Bond Topology and Proton Ordering in Ice and Water Clusters 1 By Sherwin J. Singer and Chris Knight Molecular Inner-Shell Spectroscopy. Arpis Technique and its Applications 75 By Eiji Shigemasa and Nobuhiro Kosugi Geometric Optimal Control of Simple Quantum Systems 127 By Dominique Sugny Density Matrix Equation for a Bathed Small System and its Application to Molecular Magnets 213 By D. A. Garanin A Fractional Langevin Equation Approach to Diffusion Magnetic Resonance Imaging 279 By Jennie Cooke Author Index 379 Subject Index 399

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Table of ContentsControl of Quantum Phenomena 1 By Constantin Brif, Raj Chakrabarti, and Herschel Rabitz Crowded Charges in Ion Channels 77 By Bob Eisenberg Colloidal Crystallization Between Two and Three Dimensions 225 By H. Lowen, E. C. Oguz, L. Assoud, and R. Messina Statistical Mechanics of Liquids and Fluids in Curved Space 251 By Gilles Tarjus, Fran¸cois Sausset, and Pascal Viot Author Index 311 Subject Index 359

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Book SynopsisUniversities worldwide are establishing biomanufacturing centers, and demand is growing for a workforce trained in this discipline. Downstream Recovery and Purification is an affordable, accessible desk reference on biomanufacturing for professionals, instructors, and students.Trade Review“The reference should be valuable to industry professionals as well as to advanced students of biomanufacturing, biochemical engineering, biopharmaceutical facility design, biochemistry, industrial microbiology, gene expression technology, and cell culture technology.” (Chemical Engineering Progress, 1 August 2013)Table of ContentsPreface ix Contributors xi PART I INTRODUCTION 1 1 Bioprocess Design, Computer-Aided 5 Victor Papavasileiou, Charles Siletti, Alexandros Koulouris, and Demetri Petrides PART II DOWNSTREAM RECOVERY OF CELLS AND PROTEIN CAPTURE 25 2 Cell Separation, Centrifugation 27 Hans Axelsson 3 Cell Disruption, Micromechanical Properties 49 Ingo Kampen and Arno Kwade 4 Cell Separation, Yeast Flocculation 65 Eduardo V. Soares 5 Cell Wall Disruption and Lysis 81 F. A. P. Garcia 6 Expanded Bed Chromatography, Surface Energetics of Biomass Deposition 95 Marcelo Fernandez Lahore, Oscar Aguilar, Rami Reddy Vennapusa and Muhammad Aasin 7 Filter Aids 107 Tony Hunt 8 Protein Adsorption, Expanded Bed 115 Siddartha Ghose PART III PROCESS DEVELOPMENT IN DOWNSTREAM PURIFICATION 127 9 Scaledown of Biopharmaceutical Purification Operations 129 Anurag S. Rathore and Varsha S. Joshi 10 Adsorption in Simulated Moving Beds (SMB) 147 Cesar C. Santana, Ivanildo J. Silva Jr., Diana C. S. Azevedo, and Amaro G. Barreto Jr. 11 Adsorption of Proteins with Synthetic Materials 179 Joseph McGuire and Omkar Joshi 12 Affinity Fusions for Protein Purification 191 Susanne Gräslund and Martin Hammarström 13 Bioseparation, Magnetic Particle Adsorbents 201 Urs Alexander Peuker, Owen Thomas, Timothy John Hobley, Mathias Franzreb, Sonja Berensmeier, Maria Shäfer, and Birgit Hickstein 14 High Throughput Technologies in Bioprocess Development 221 Trent Carrier, Eva Heldin, Mattias Ahnfelt, Eggert Brekkan, Richard Hassett, Steve Peppers, Gustav Rodrigo, Greg Van Slyke, and David (Xiqaojian) Zhao 15 Large-Scale Protein Purification, Self-Cleaving Aggregation Tags 257 Iraj Ghazi and David W. Wood 16 Lipopolysaccharide, LPS removal, Depyrogenation 269 Pérola O. Magalhães and Adalberto Pessoa Jr. 17 Porous Media in Biotechnology 277 Manuel Mota, Alexander Yelshin, and Inna Yelshina 18 Protein Aggregation and Precipitation, Measurement and Control 293 Catherine H. Schein PART IV EQUIPMENT DESIGN FOR DOWNSTREAM RECOVERY AND PROTEIN PURIFICATION 325 19 Cleaning and Sanitation in Downstream Processes 327 Gail Sofer, Craig Robinson, Joanthan Yourkin, Tina Pitarresi, and Darcy Birse 20 Clean-in-place 343 Phil J. Bremer and Richard Brent Seale 21 Large Scale Chromatography Columns, Modeling Flow Distribution 353 Zhiwu Fang 22 Pumps, Industrial 373 Bob Stover and Ed Domanico PART V DOWNSTREAM cGMP OPERATIONS 389 23 Affinity Chromatography of Plasma Proteins 391 Mirjana Radosevich and Thierry Burnouf 24 Antibody Purification, Monoclonal and Polyclonal 405 James J. Reilly and Michiel E. Ultee 25 Chromatographic Purification of Virus Particles 415 Pete Gagnon 26 Chromatography, Hydrophobic Interactions 437 Per Karsnäs 27 Chromatography, Radar Flow 449 Tingyue Gu 28 Drying, Biological Materials 465 Chung Lim Law and Arun S. Mujumdar 29 Freeze-Drying, Pharmaceuticals 485 Jinsong Liu 30 Freezing, Biopharmaceutical 505 Philippe Lam and Jamie Moore 31 Membrane Chromatography 521 John Pieracci and Jörg Thömmes 32 Membrane Separations 545 Manohar Kalyanpur 33 Plasmid Purification 557 H .S. C. Barbosa and J. C. Marcos 34 Protein Chromatography, Manufacturing Scale 571 Joseph Bertolini 35 Protein Crystallization, Kinetics 579 Gianluca Di Profio, Efrem Curcio, and Enrico Drioli 36 Protein Purification, Aqueous Liquid Extraction 603 Maria-Regina Kula and Klaus Selber 37 Protein Ultrafiltration 617 Robert van Reis and Andrew L. Zydney 38 Virus Retentive Filters 641 George Miesegaes, Scott Lute, Hazel Aranha, and Kurt Brorson PART VI BIOPHARMACEUTICAL FACILITY VALIDATION 655 39 Biopharmaceutical Facility Design and Validation 657 Jeffrey N. Odum 40 Closed Systems in Bioprocessing 677 Jeffrey Odum 41 Facility Design for Single Use (SU) Downstream Materials 685 Robert Z. Maigetter, Tom Piombino, Christian Wood, Tom Gervais, Claudio Thomasin, Bryan Shingle, Dave A. Wareheim, and David Clark 42 eGMPs for Production Rooms 715 Claude Arlois, Jean Didelez, Patrick Florent, and Guy Godeau 43 Heating, Ventilation, and Air Conditioning 731 Dennis Dobie 44 Sterilization-in-Place (SIP) 747 P. T. Noble PART VII FDA cGMP REGULATORY COMPLIANCE 757 45 Pharmaceutical Bioburden Testing 759 Nathaniel G. Hentz, PhD 46 Chromatography, Industrial Scale Validation 775 Sandy Weinberg and Carl A. Rockburne 47 GMPs and GLSPs 795 Beth H. Junker 48 Quality by Design (QBD) 815 Rakhi B. Shah, Jun T. Park, Erik K. Read, Mansoor A. Khan, and Kurt Brorson 49 Regulatory Requirements, European Community 829 Gary Walsh Index 843

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Book SynopsisSoil is the most complicated of materials and an essential element to life. Now in a new second edition, Introduction to Soil Chemistry provides professionals with the background they need to analyze soil, interpret their findings, and develop new analytical methods for soil.Trade Review“The book is well suited as a good introduction for by measurement advanced students or for the professional entry. The comprehensive index is very helpful.” (Journal of Horticulture, 1 October 2014)Table of ContentsPREFACE xi INSTRUMENTAL METHOD ACRONYMS xiv COMMON HYPHENATED INSTRUMENTAL METHOD ABBREVIATIONS xv ABBREVIATED PERIODIC TABLE OF THE ELEMENTS xvi CHAPTER 1 SUMMARY OF THE HISTORY OF SOIL CHEMISTRY 1 1.1 The 19th Century 3 1.2 The End of the 19th and the Beginning of the 20th Century 8 1.3 The 20th Century 11 1.4 The End of the 20th and the Beginning of the 21st Century 14 1.5 Conclusion 15 Problems 15 References 16 Bibliography 18 CHAPTER 2 SOIL BASICS PART I: LARGE FEATURES 19 2.1. Horizonation 28 2.2 Peds 33 2.3 Soil Color 36 2.4 Soil Naming 38 2.5 The Landscape 39 2.6 Relationship of Large Features to Soil Chemistry, Soil Analysis, and Instrumentation 40 2.7 Conclusions 42 Problems 42 References 43 Bibliography 43 CHAPTER 3 SOIL BASICS PART II: MICROSCOPIC TO ATOMIC ORBITAL DESCRIPTION OF SOIL CHEMICAL CHARACTERISTICS 44 Soil Components Independent 45 3.1 Soil Solids 45 Soil Components Interacting 53 3.2. Bonding Considerations 53 Soil Components in Combination 58 3.3 Surface Features 58 3.4 Energy Considerations 60 3.5 Reaction Paths 61 3.6 Steric Factors 62 3.7 Rate Factors 62 3.8 All Factored Together 63 3.9 Micelles 63 3.10 Coated Surfaces 63 3.11 Conclusions 65 Problems 65 References 66 Bibliography 67 CHAPTER 4 SOIL BASICS PART III: THE BIOLOGICAL AND ORGANIC COMPONENTS IN SOIL 68 Biota of Soil 69 4.1 Animals 69 4.2 Plants 71 4.3 Microorganisms 75 Biological and Organic Chemicals of Soil 79 4.4 Biochemical 79 4.5 Bioorganic 81 4.6 Organic Compounds 81 4.7 Analysis 87 4.8 Conclusions 89 Problems 90 References 90 Bibliography 92 Web Sites 92 CHAPTER 5 SOIL BASICS PART IV: THE SOIL AIR AND SOIL SOLUTION 93 5.1 Soil Air 94 5.2 Water 95 5.3 Solubility 98 5.4 Elements in Solution 99 5.5 Dissolved Gases 99 5.6 Compounds in Solution 100 5.7 Inorganic Ions in Solution 102 5.8 Organic Ions in Solution 104 5.9 Soil pH 105 5.10 The Soil Solution around Particles 106 5.11 Distribution between Soil Solids and Soil Solution 106 5.12 Oxidative and Reductive Reactions in the Soil Solution 108 5.13 Measuring Soil Water 109 5.14 Conclusion 112 Problems 112 References 113 Bibliography 114 CHAPTER 6 SPECIATION 115 6.1 Cations 118 6.2 Anions 123 6.3 Isolation of Species 128 6.4 Sampling, Sample Storage, and Speciation 129 6.5 Conclusions 130 Problems 131 References 131 Bibliography 134 CHAPTER 7 SOIL AND SOIL SOLUTION SAMPLING, SAMPLE TRANSPORT, AND STORAGE 135 7.1 Field Sampling 136 7.2 Sampling Cropped Land 147 7.3 Environmental Sampling 148 7.4 Other Environmental Sampling Situations 148 7.5 Sample Transport and Storage 148 7.6 Laboratory Sampling 149 7.7 Sampling the Soil Solution 153 7.8 Conclusions 155 Problems 156 References 157 Bibliography 158 CHAPTER 8 DIRECT AND INDIRECT MEASUREMENT IN SOIL ANALYSIS 159 8.1 Direct Measurements 160 8.2 Mediated Direct Measurement 166 8.3 Indirect Soil Measurements 168 8.4 Destructive Soil Analysis Methods 170 8.5 Soil Solution 171 8.6 Soil Solids 171 8.7 Conclusions 172 Problems 173 References 173 Bibliography 174 CHAPTER 9 ELECTRICAL MEASUREMENTS 175 9.1 The Basic Electrochemical Cell 177 9.2 Electricity Generation in Soil 177 9.3 Potentiometry (Electrodes in Soil Measurements) 178 9.4 Voltammetry 187 9.5 Electrical Conductivity 187 9.6 Time-Domain Reflectometry 188 9.7 Porous Block 189 9.8 Other Methods 189 9.9 Conclusions 189 Problems 190 References 190 Bibliography 192 CHAPTER 10 TITRIMETRIC MEASUREMENTS 193 10.1 Soil Titration 195 10.2 Titration of Soil pH 197 10.3 Organic Matter 200 10.4 Ammonia 200 10.5 Kjeldahl: Organic Nitrogen 202 10.6 Nitrite and Nitrate 203 10.7 Carbonate Determination 204 10.8 Halogen Ion Determination 205 10.9 pH–Stat Titrations 206 10.10 Conclusions 207 Problems 207 References 208 CHAPTER 11 EXTRACTION OF INORGANICS 209 11.1 Extraction Equipment 210 11.2 Water as a Soil Extractant 211 11.3 Acid Extractants 218 11.4 Extractants for Basic Soils 222 11.5 Microwave-Assisted Extraction 224 11.6 Ultrasonic Extraction 225 11.7 Sequential Extraction 225 11.8 Ion Exchange Resin Extractions 226 11.9 Surfactants 227 11.10 Conclusion 227 Problems 227 References 228 Bibliography 230 CHAPTER 12 EXTRACTION OF ORGANICS 231 12.1 Sampling Handling before Extraction 235 12.2 Extraction Equipment 235 12.3 Soil Organic Matter Extraction Solvents 243 12.4 Cleanup 247 12.5 Conclusion 250 Problems 250 References 251 Bibliography 252 CHAPTER 13 CHROMATOGRAPHY 254 13.1 Fundamentals of Chromatography 256 13.2 Gas Chromatography 257 13.3 High-Performance Liquid Chromatography 264 13.4 Thin-Layer Chromatography 265 13.5 Electrophoresis 267 13.6 Identification of Compounds Separated by Chromatographic Procedures 268 13.7 Quantification 270 13.8 Conclusion 271 Problems 271 References 272 Bibliography 273 CHAPTER 14 SPECTROSCOPY AND SPECTROMETRY 274 14.1 Spectral Overlap 275 14.2 Noise 276 14.3 The Visible Region 277 14.4 Ultraviolet Region 278 14.5 Infrared Spectroscopy 280 14.6 Nuclear Magnetic Resonance 286 14.7 Mass Spectrometry 287 14.8 Atomic Spectroscopy 288 14.9 Color Measurement: The Spectrophotometer 292 14.10 Regression Analysis 296 14.11 Relationship to the Original Sample 296 14.12 X-ray Diffraction 297 14.13 X-ray Fluorescence 297 14.14 Remote Sensing 299 14.15 Conclusion 299 Problems 300 References 300 Bibliography 303 CHAPTER 15 HYPHENATED METHODS IN SOIL ANALYSIS 304 15.1 Sample Preparation 307 15.2 Sample Destroyed 307 15.3 Nondestructive Methods 313 15.4 Triple Hyphenated Methods 314 15.5 Conclusions 316 Problems 316 References 317 Bibliography 318 INDEX 320

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Book SynopsisThis book comprehensively reviews research on new developments in all areas of food chemistry/science and technology.Table of ContentsPreface xiii List of Contributors xvii 1 Recent Advances in Food Science and Nutrition: State of Art, New Challenges and Opportunities 1 Visakh. P.M., Laura B. Iturriaga and Pablo Daniel Ribotta 1.1 Potato Production, Composition and Starch Processing 2 1.2 Milk and Different Types of Milk Products 4 1.3 Processing and Preservation of Meat, Poultry and Seafood 5 1.4 Food Ingredients 7 1.5 Fruits and Fruit Processing 7 1.6 Antioxidant Activity of Phytochemicals and Their Method of Analysis 9 1.7 Indispensable Tools in Food Science and Nutrition 10 1.8 Transformation of Food Flavours Due to Industrial Processing Elaboration 11 1.9 New Trends in Sensory Characterization of Food Products 12 1.10 Effect of Food Processing on Bioactive Compounds 13 1.11 Recent Advances in Storage Technologies for Fresh Fruits 14 1.12 Ultrasound Applications in Food Technology 16 References 17 2 Potato: Production, Composition and Starch Processing 23 Narpinder Singh, Amritpal Kaur, Khetan Shevkani and Rajarathnam Ezekiel 2.1 Introduction 24 2.2 Composition 24 2.3 Starch Production 34 2.4 Starch Properties 36 References 41 3 Milk and Different Types of Milk Products 49 Yantyati Widyastuti and Andi Febrisiantosa 3.1 Introduction 49 3.2 Milk Production and Quality 51 3.3.1 Effect of Animal Diet on Milk Productivity 51 3.2.2 Organic Milk 56 3.3 Types of Milk Products 56 3.3.1 Liquid Milk as Beverage 57 3.3.2 Cream 59 3.3.3 Butter 59 3.3.4 Ice Cream 60 3.3.5 Fermented Milk Product 62 3.4 Conclusion 65 References 65 4 Processing and Preservation of Meat, Poultry and Seafood 69 Elisabete M.C. Alexandre, Cristina L.M. Silva and Teresa R.S. Brandão 4.1 Introduction 70 4.2 Food Quality Characteristics 71 4.3 Deterioration and Microbial Contamination 73 4.4 Physical Methods of Preservation 74 4.4.1 Preliminary Processes 74 4.4.2 Water Spray-Washings 76 4.4.3 Control of Temperature 77 4.4.4 Control of Moisture 81 4.4.5 Radiation Technologies 82 4.4.6 Other Technologies 87 4.5 Chemical Methods of Preservation 89 4.5.1 Curing 89 4.5.2 Smoking 90 4.5.3 Other Methods/Compounds 91 4.6 Microbiological Contributions to Meat Preservation 93 4.6.1 Competition 93 4.6.2 Fermentation 94 4.6.3 Bacteriocins 94 4.7 Hurdle Combinations of Methods 95 4.8 Atmosphere Inside Package 95 Acknowledgments 96 References 96 5 Food Ingredients 105 Dongxiao Sun-Waterhouse 5.1 Introduction 106 5.2 Useful Terminology and Definitions 107 5.3 Food Additives 109 5.4 Novel and Natural Plant-Based Ingredients 113 5.5 Properties and Applications of Plant-Derived Ingredients 120 5.6 Conclusion and Future Prospects 125 References 126 6 Fruits and Fruit Processing 133 Ariel R. Fontana and Romina P. Monasterio 6.1 Introduction 133 6.2 Fruits 136 6.2.1 Low Temperature 136 6.2.2 Modified and Controlled Atmosphere Storage 137 6.2.3 Modified Atmosphere Packaging 140 6.2.4 Edible Coatings 141 6.3 Fruit Processing 142 6.3.1 Factors Affecting Fruit Conservation Method 143 6.3.2 Traditional Preservation Methods 144 6.3.3 Modern Preservation Methods with Minimal Processing 146 References 150 7 Antioxidant Activity of Phytochemicals and Their Method of Analysis 153 Ashish Rawson, Ankit Patras, B. Dave Oomah, Rocio Campos-Vega and Mohammad B. Hossain 7.1 Introduction 154 7.2 Importance of Antioxidants in Human Health (Their Mechanism of Action) 155 7.3 Natural Antioxidants 158 7.3.1 Sources of Natural Antioxidants 158 7.3.2 Uses of Natural Antioxidants 160 7.4 Overview of Methods Used to Measure Total Antioxidant Activity 163 7.4.1 Measurement of Antioxidant Activity 165 7.4.2 Assays Involving a Biological Substrate 165 7.4.3 Assays Involving a Non-Biological Substrate 166 7.5 Problems in Comparing Various Methods of Antioxidant Activity and Discrepancies over Their Measurement 188 7.6 Methods for Antioxidant Phytochemical Analysis 191 7.6.1 Spectrophotometer 191 7.6.2 High Performance Liquid Chromatography(HPLC) 191 7.6.3 Liquid Chromatography–Mass Spectrometry (LC–MS) 214 7.6.4 Liquid Chromatography–Nuclear Magnetic Resonance (LC–NMR) 215 7.7 Concluding Remarks 237 References 238 8 Indispensable Tools in Food Science and Nutrition 257 Sneha P. Bhatia 8.1 Introduction: Food Safety – From Farm to the Dinner Plate 257 8.2 Foodborne Pathogens 259 8.3 Probiotics in Food 264 8.4 Genetically Modified (GM) Foods – Friends or Foe? 270 8.5 Bioavailability of Nutrients 273 8.6 Food Safety Regulations 275 8.7 Conclusion 276 References 276 9 Transformations of Food Flavor Due to Industrially Processing of Elaboration 279 Romina P. Monasterio 9.1 Introduction 280 9.2 Aroma Compounds 292 9.3 Chemical Reactions that Contribute to Food Flavor 292 9.3.1 Maillard Reaction 293 9.3.2 Flavor from Lipids 298 9.3.3 Flavors Formed via Fermentation 302 9.4 Special Industrial Process and Flavor 309 9.5 Industrial Production of Flavor 312 9.6 Summary 315 References 315 10 New Trends in Sensory Characterization of Food Products 321 Gastón Ares and Ana Giménez 10.1 Introduction 321 10.1.1 Sensory Characterization 321 10.1.2 Descriptive Analysis 322 10.2 New Trends in Sensory Characterization of Food Products 325 10.2.1 Overview 325 10.2.2 Methodologies Based on Specific Attributes 327 10.2.3 Methodologies that Provide a Verbal Description of the Products 332 10.2.4 Holistic Methodologies 338 10.2.5 Methods Based on the Comparison with References 345 10.2.6 Comparison of the Methodologies 348 10.3 Conclusions and Recommendations 352 References 354 11 Effect of Food Processing on Bioactive Compounds 361 Sarana Sommano 11.1 Bioactive Compounds 362 11.1.1 Reactive Oxygen Species (ROS) 362 11.1.2 Antioxidant Defenses Against ROS 363 11.1.3 Bioactive Compounds or Natural Antioxidants 364 11.1.4 Other Significant Bioactive Compounds 371 11.2 Processing of Foods Containing Bioactive Components 372 11.2.1 Effect of Postharvest Handling Methods and Shelf Life Determination 372 11.2.2 Effect of Processing 373 11.2.3 Effects of Storage 377 11.3 Methods for the Determination of Antioxidants 378 11.3.1 Measuring Antioxidants Activity 378 11.3.2 Radical–Scavenging Methods 378 11.3.3 Methods for Measuring the Oxidation of an Oil or Food Sample 380 11.3.4 Techniques Involving Bioactive Compound Determination 383 Reference 12 Recent Advances in Storage Technologies for Fresh Fruits 391 Sukhvinder P. Singh and Leon A. Terry 12.1 Introduction 392 12.2 1-Methylcyclopropene (1-MCP) Based Storage Technology 393 12.3 Palladium Based Ethylene Adsorbers 394 12.4 Ultra Low Oxygen (ULO) Storage Technology 397 12.5 Dynamic Controlled Atmosphere (DCA) Storage Technology 398 12.6 Microcontrolled Atmosphere (MCA) and Bulk Modified Atmosphere Packaging (MAP) Technologies 400 12.7 Nitric Oxide Based Technology 401 12.8 Biosensors 403 12.9 Conclusions 405 References 406 13 Ultrasound Applications in Food Technology: Equipment, Combined Processes and Effects on Safety and Quality Parameters 413 Rui M.S. Cruz, Igor Khmelinskii and Margarida C. Vieira 13.1 Introduction 414 13.2 Equipment Design 416 13.3 Ultrasound Application for Improving Processing Efficiency 420 13.4 Food Preservation Applications 424 13.4.1 Enzymes 424 13.4.2 Microorganisms 424 13.5 Ultrasound Effects on Food Quality Attributes 430 13.6 Conclusions 432 References 432 Index 445

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Book SynopsisWater pollution is topic of immense and common concern throughout the world. This book presents the results and data from research and adsorption experiments carried out on the removal of nickel and chromium (as well as other metals) from aqueous solutions using modified silica sand. .Table of ContentsPreface ix 1. Introduction 1 1.1 Environment 1 1.2 World Water Distribution 2 1.3 Environmental Pollution 5 1.4 Chromium 11 1.5 Nickel 16 1.6 Objectives 20 1.7 Literature Review 20 1.8 Adsorption 31 1.9 Adsorption Forces 35 1.10 Adsorption Theories 36 2. Material and Methods 39 2.1 Adsorbent Collection and Storage 39 2.2 Adsorbent Modification 39 2.3 Preparation of Adsorbate Cr (VI) and Ni (II) Solution 40 2.4 Instrumentation 40 2.5 Batch Adsorption Experiment 41 3. Results and Discussions 45 3.1 Characterization of Silica Sand 45 3.2 Effect of Contact Time and Initial Concentration of Cr (VI) and Ni (II) 52 3.3 Effect of pH on the Removal of Cr (VI) and Ni (II) 56 3.4 Effect of Temperature on the Removal of Cr (VI) and Ni (II) 60 3.5 Effect of Adsorbent Dosage on the Removal of Cr (VI) and Ni (II) 66 3.6 Adsorption Isotherm 73 3.7 Adsorption Kinetics 79 3.8 Thermodynamic Studies 86 4. Conclusions 91 References 94

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Book SynopsisThis book examines the current state of the art, new challenges, opportunities, and applications of IPNs. With contributions from experts across the globe, this survey is an outstanding resource reference for anyone involved in the field of polymer materials design for advanced technologies. Comprehensively summarizes many of the recent technical research accomplishments in the area of micro and nanostructured Interpenetrating Polymer NetworksDiscusses various aspects of synthesis, characterization, structure, morphology, modelling, properties, and applications of IPNsDescribes how nano-structured IPNs correlate their multiscale structure to their properties and morphologiesServes as a one-stop reference resource for important research accomplishments in the area of IPNs and nano-structured polymer systemsIncludes chapters from leading researchers in the IPN field from industry, academy, government and private research institutionsTable of ContentsList of Contributors xiii 1 Micro‐ and Nano-structured Interpenetrating Polymer Networks: State of the Art, New Challenges, and Opportunities 1 Jose James, George V. Thomas, Akhina H. and Sabu Thomas 1.1 Introduction 1 1.2 Types of Interpenetrating Polymer Networks 2 1.3 Synthesis of Interpenetrating Polymer Networks 5 1.4 Characterization of Interpenetrating Polymer Networks 8 1.5 Applications of Interpenetrating Polymer Networks 23 1.6 Future Trends 23 Acknowledgement 25 References 25 2 Miscibility, Morphology, and Phase Behavior of IPNs 29 Xuemei Wu, Gaohong He, Xiaoming Yan, Xiangcun Li, Wu Xiao and Xiaobin Jiang 2.1 Introduction 29 2.2 Miscibility of Interpenetrating Polymer Networks 30 2.3 Phase Diagram 35 2.4 Morphology of Interpenetrating Polymer Networks 43 Acknowledgments 62 References 62 3 Synthetic Rubber‐Based IPNs 69 Qihua Wang, Shoubing Chen and Tingmei Wang 3.1 Introduction 69 3.2 Synthetic Rubber‐Based IPNs 71 3.3 Summary and Conclusions 101 Acknowledgments 102 References 102 4 Micro‐ and Nanostructured IPNs Based on Thermosetting Resins 109 Sanja Marinović, Ivanka Popović and Branko Dunjić 4.1 Introduction 109 4.2 Experimental Details 110 4.3 Influence of HBP(A) Contents in IPNs on IPN Mechanical Properties 115 4.4 Influence of Reactive Diluent in Interpenetrating Polymer Networks on their Properties 119 4.5 Conclusions 124 Acknowledgment 125 References 125 5 Macro‐, Meso‐, and Nanoporous Systems Designed from IPNs 127 Daniel Grande 5.1 Introduction 127 5.2 Porous Systems Derived from Semi‐Interpenetrating Polymer Networks 130 5.3 (Nano)Porous Systems Derived from Interpenetrating Polymer Networks 135 5.4 Conclusions 139 Acknowledgments 140 References 140 6 Natural Rubber‐Based Micro‐ and Nanostructured IPNs 145 Sa‐Ad Riyajan 6.1 Introduction 145 6.2 Natural Rubber 146 6.3 Synthesis of Polymer IPN 148 6.4 Properties of IPN Made from NR and Plastics 155 6.5 Conclusions 174 Acknowledgments 174 References 174 7 The Synthesis and the Applications of IPNs Based on Smart Polymers 179 Guillermina Burillo, Emilio Bucio and Lorena Garcia‐Uriostegui 7.1 Introduction 179 7.2 Stimuli‐Responsive Polymers 180 7.3 Interpenetrating Polymer Networks and Semi‐Interpenetrating Networks 181 7.4 The Synthesis and the Applications of Semi‐Interpenetrating Networks and Interpenetrating Networks 181 7.5 Interpenetrating Polymer Networks 184 7.6 Interpenetrating Polymer Networks and Semi‐Interpenetrating Networks Synthesized by Ionizing Radiation 186 7.7 Semi‐Interpenetrating Networks and Interpenetrating Networks in the Heavy Ions Immobilization 188 7.8 The Novel Architectures of IPNs Developed by Ionizing Radiation Polymerization 189 7.9 Conclusions 192 Acknowledgments 192 References 193 8 Microscopy of IPNs 199 Rameshwar Adhikari 8.1 Introduction and Overview 199 8.2 Sample Preparation Techniques for Microscopic Analysis 200 8.3 Microscopy of Interpenetrating Polymer Networks: An Overview 202 8.4 Morphological Characterization of Polymer Networks 206 8.5 Concluding Notes 220 Acknowledgments 220 References 220 9 Viscoelastic Properties of Interpenetrating Polymer Networks 229 Sudipta Goswami 9.1 Introduction 229 9.2 Viscoelastic Properties of Simultaneous IPNs 234 9.3 Viscoelastic Properties of Sequential IPNs 241 9.4 Overall Summary and Future Scope 252 9.5 Conclusion 255 References 256 10 Interpenetrating and Semi‐Interpenetrating Polymer Networks of Polyurethane 259 Chepuri R.K. Rao, Ramanuj Narayan and K.V.S.N. Raju 10.1 Introduction 259 References 278 11 Solid‐State NMR and ESR Studies of IPNs 283 Srećko Valić, Mladen Andreis and Damir Klepac 11.1 Introduction 283 11.2 Theoretical Background 284 11.3 Nuclear Magnetic Resonance of Interpenetrating Polymer Networks and Semi‐Interpenetrating Polymer Networks 290 11.4 Electron Spin Resonance Studies of Interpenetrating Polymer Networks and Semi‐Interpenetrating Polymer Networks 302 11.5 Conclusion 313 References 313 12 Diffusion, Transport, and Barrier Properties of IPNs 319 Runcy Wilson, S. Anil Kumar, Miran Mozetič, Uroš Cvelbar and Sabu Thomas 12.1 Introduction 319 12.2 Background of Interpenetrating Polymer Networks 320 12.3 Transport Properties: Theoretical and Practical Aspects 321 12.4 Transport Mechanism 324 12.5 Sorption and Diffusion of Solvents 326 12.6 Gas Barrier Properties of Interpenetrating Polymer Networks 331 12.7 Pervaporation Characteristics of Interpenetrating Polymer Networks 332 12.8 Principles of Pervaporation 333 12.9 Vapor Sorption 334 12.10 Conclusion 335 12.11 Applications, Challenges, Difficulties, and Future Directions 335 References 336 13 Aging of Interpenetrating Polymer Networks 341 Selvin P. Thomas and Mohammed N. Alghamdi 13.1 Introduction 341 13.2 Aging of Interpenetrating Polymer Networks 342 13.3 Conclusion 361 References 362 14 Theoretical Modeling and Simulation of IPNs 365 Prathab Baskar 14.1 Introduction 365 14.2 Theoretical Simulations 366 14.3 Molecular Dynamics Methods and Theory 368 14.4 Molecular Dynamic Study of Surface/Interface Properties of Thermoplastic Apparent Interpenetrating Polymer Networks and Organic–Inorganic Composite Interpenetrating Polymer Networks 375 14.5 Conclusions 380 References 380 15 Applications of Interpenetrating Polymer Networks 383 Radhika Raveendran and Chandra P. Sharma 15.1 Introduction 383 15.2 What are Interpenetrating Polymer Networks? 384 15.3 Properties of Interpenetrating Polymer Networks 385 15.4 Applications of Interpenetrating Polymer Networks 385 15.5 Conclusion 393 References 394 Index 399

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Book SynopsisOver the last decade, the area of homogeneous catalysis with transition metal has grown in great scientific interest and technological promise, with research in this area earning three Nobel Prizes and filing thousands of patents relating to metallocene and non-metallocene single site catalysts, asymmetric catalysis, carbon-carbon bond forming metathesis and cross coupling reactions. This text explains these new developments in a unified, cogent, and comprehensible manner while also detailing earlier discoveries and the fundamentals of homogeneous catalysis. Serving as a self-study guide for students and all chemists seeking to gain entry into this field, it can also be used by experienced researchers from both academia and industry for referring to leading state of the art review articles and patents, and also as a quick self-study manual in an area that is outside their immediate expertise. The book features: Topics including renewable feed stocks (biofuel, glycerol), carTable of Contents1. Chemical Industry and Homogeneous Catalysis1.1 Feed Stocks, Fuels and Catalysts1.2 Crude Oil to Gasoline and Basic Building Blocks by Heterogeneous catalysts1.3 Basic Building Blocks to Downstream Products by Homogeneous Catalysis1.4 Comparison among Different Types of Catalysis1.5 Catalyst Recovery1.6 Environmental IssuesProblemsBibliography2. Basic Chemical Concepts2.1 Ligands2.2 Metals2.3 Important Reaction TypesProblemsBibliography3. Methods of Investigation3.1 Catalytic cycle and intermediates3.2 Spectroscopic Studies3.3 Kinetic Studies3.4 Model Compounds3.5 Computational Techniques (Theoretical Calculation)3.6 Asymmetric CatalysisProblemsBibliography4. Carbonylation and Related Reactions4.1 Introduction4.2 Carbonylation and Manufacture of Acetic Acid4.3 Carbonylation of Other Alcohols4.4 Carbonylation of Methyl Acetate4.5 Carbonylation of Alkynes4.6 Other carbonylation and hydrocarboxylation reactions4.7 C1-Chemistry4.8 Engineering AspectsProblemsBibliography5. Hydrogenation and Other Hydrogen Based Catalytic Reactions5.1 Hydrogenation5.2 Hydroformylation5.3 Other Hydroformylation reactions5.4 Asymmetric Hydroformylation5.5 Hydrosilylation5.6 Hydrocyanation5.7 HydroaminationProblemsBibliography6. Polymerization and Selective Oligomerization of Alkenes6.1 Introduction6.2 Early Catalysts for Polyethylene and Polypropylene6.3 Modern Ziegler-Natta Catalyst6.4 Mechanistic Studies6.5 Single Site Catalysts6.6 Ethylene Polymerization with Polar comonomers6.7 Polymers of Other Alkenes6.8 Oligomerization of Ethylene6.9 Engineering AspectsProblemsBibliography7. Selective C-C Bond Forming Reactions With Alkenes7.1 Introduction7.2 Di-, Tri-, Tetramerization and Codimerization reactions7.3 Metathesis Reactions7.4 Pd-Catalyzed Cross Coupling Reactions7.5 Metal catalyzed Cyclopropanation and CycloadditionProblemsBibliography8. Oxidation8.1 Introduction8.2 Wacker Oxidation8.3 Metal-Catalyzed Liquid-Phase Autoxidation8.4 Polymers from Autoxidation Products8.5 Selective Oxidations8.6 Engineering and Safety ConsiderationsProblemsBibliography

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Book SynopsisThe potential use of hydrogen as a clean and renewable fuel resource has generated significant attention in recent years, especially given the rapidly increasing demand for energy sources and the dwindling availability of fossil fuels. Hydrogen is an ideal fuel in several ways.Table of ContentsPreface ix Acknowledgments xiii 1 Introduction to Basic Properties of Hydrogen 1 1.1 Basics about the Hydrogen Element 1 1.2 Basics about the Hydrogen Molecule 3 1.3 Other Fundamental Aspects of Hydrogen 4 1.4 Safety and Precautions about Hydrogen 5 References 5 2 Hydrocarbons for Hydrogen Generation 7 2.1 Basics about Hydrocarbons 7 2.2 Steam Methane Reforming 8 2.3 Partial Oxidation 10 2.4 Methanol and Ethanol Steam Reforming 12 2.5 Glycerol Reforming 15 2.5.1 Glycerol Reforming Processes 15 2.5.2 Mechanistic Aspects of Glycerol Reforming Reactions 17 2.5.3 Catalytic Reforming of Glycerol 17 2.6 Cracking of Ammonia and Methane 18 2.6.1 Ammonia Cracking 18 2.6.2 Methane Cracking 22 2.6.3 Other Decomposition Methods 23 2.7 Summary 24 References 25 3 Solar Hydrogen Generation: Photocatalytic and Photoelectrochemical Methods 27 3.1 Basics about Solar Water Splitting 27 3.2 Photocatalyic Methods 28 3.2.1 Background 28 3.2.2 Metal Oxides 29 3.2.3 Metal Oxynitrides/Metal Nitrides/Metal Phosphides 31 3.2.4 Metal Chalcogenides 32 3.2.5 Conclusion 35 3.3 Photoelectrochemical Methods 36 3.3.1 Background 36 3.3.2 Photocathode for Water Reduction 36 3.3.3 Photoanode for Water Oxidation 40 3.3.4 Conclusion 45 3.4 Summary 45 References 46 4 Biohydrogen Generation and Other Methods 51 4.1 Basics about Biohydrogen 51 4.2 Pathways of Biohydrogen Production from Biomass 52 4.3 Thermochemical Conversion of Biomass to Hydrogen 55 4.3.1 Hydrogen from Biomass via Pyrolysis 55 4.3.2 Hydrogen from Biomass via Gasifi cation 58 4.3.3 Hydrogen from Biomass via Supercritical Water (Fluid–Gas) Extraction 60 4.3.4 Comparison of Thermochemical Processes 61 4.4 Biological Process for Hydrogen Production 62 4.4.1 Biophotolysis of Water Using Microalgae 64 4.4.2 Photofermentation 66 4.4.3 Dark Fermentation 66 4.4.4 Two-Stage Process: Integration of Dark and Photofermentation 67 4.5 Summary 69 References 69 5 Established Methods Based on Compression and Cryogenics 75 5.1 Basic Issues about Hydrogen Storage 75 5.2 High Pressure Compression 78 5.3 Liquid Hydrogen 84 5.4 Summary 89 References 90 6 Chemical Storage Based on Metal Hydrides and Hydrocarbons 91 6.1 Basics on Hydrogen Storage of Metal Hydrides 91 6.2 Hydrogen Storage Characteristics of Metal Hydrides 92 6.2.1 Storage Capacities 93 6.2.2 Thermodynamics and Reversible Storage Capacity 93 6.2.3 Hydrogenation and Dehydrogenation Kinetics 95 6.2.4 Cycling Stability 99 6.2.5 Activation 99 6.3 Different Metal Hydrides 100 6.3.1 Binary Metal Hydrides 100 6.3.2 Metal Alloy Hydrides 100 6.3.3 Complex Metal Hydrides 101 6.3.4 Improving Metal Hydride Performance 102 6.4 Hydrocarbons for Hydrogen Storage 108 6.4.1 Reaction between Carbon Atom and Hydrogen 109 6.4.2 Reaction between Solid Carbon and Hydrogen 110 6.4.3 Reaction between Carbon Dioxide and Hydrogen 111 6.5 Summary 115 References 116 7 Physical Storage Using Nanostructured and Porous Materials 121 7.1 Physical Storage Using Nanostructures 121 7.1.1 Carbon Nanostructures 121 7.1.2 Other Nanostructures and Microstructures 129 7.2 Physical Storage Using Metal-Organic Frameworks 130 7.3 Clathrate Hydrates 132 7.4 Summary 135 References 135 8 Hydrogen Utilization: Combustion 139 8.1 Basics about Combustion 139 8.2 Mechanism of Combustion 140 8.3 Major Factors Affecting Combustion 143 8.4 Catalytic Combustion 146 8.5 Summary 149 References 150 9 Hydrogen Utilization: Fuel Cells 153 9.1 Basics of Fuel Cells 153 9.1.1 The Rational Development of Fuel Cells 153 9.1.2 Work Principles of Fuel Cells 154 9.1.3 Operation of Fuel Cells 155 9.2 Types of Fuel Cells 157 9.2.1 Alkaline Fuel Cell (AFC) 157 9.2.2 Proton Exchange Membrane Fuel Cell (PEMFC) 157 9.2.3 Phosphoric Acid Fuel Cell (PAFC) 160 9.2.4 Molten Carbonate Fuel Cell (MCFC) 162 9.2.5 Solid Oxide Fuel Cell (SOFC) 163 9.3 Catalysts for Oxygen Reduction Reaction of Fuel Cells 163 9.3.1 Pt-Based Catalysts 164 9.3.2 Nonnoble Metal Catalysts 164 9.4 Fuel Processing 168 9.5 Applications of Fuel Cells 169 9.6 Summary 171 References 172 10 Hydrogen Utilization in Chemical Processes 177 10.1 Background 177 10.2 Hydrogen Utilization in Petroleum Industry 177 10.2.1 Hydrocracking 177 10.2.2 Hydroprocessing 180 10.3 Hydrogen Utilization in Chemical Industry 181 10.3.1 Ammonia Production: The Haber Process 181 10.3.2 Hydrogenation of Unsaturated Hydrocarbons 182 10.4 Hydrogen Utilization in Metallurgical Industry 182 10.4.1 Ore Reduction 182 10.5 Hydrogen Utilization in Manufacturing Processes 184 10.5.1 Welding Gas: Oxy-Hydrogen Welding 184 10.5.2 Coolant 185 10.6 Hydrogen Utilization in Physics 187 10.6.1 Lifting Gas 187 10.6.2 Superconductor Industry 187 10.6.3 Semiconductor Industry 187 10.7 Summary 188 References 188 Index 191

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Book SynopsisFrank discussions of opportunities and challenges point the way to new, more effective drug delivery systems Interest in nanomedicine has grown tremendously, fueled by the expectation that continued research will lead to the safe, efficient, and cost-effective delivery of drugs or imaging agents to human tissues and organs. The field, however, has faced several challenges attempting to translate novel ideas into clinical benefits. With contributions from an international team of leading nanomedicine researchers, this book provides a practical assessment of the possibilities and the challenges of modern nanomedicine that will enable the development of clinically effective nanoparticulate drug delivery products and systems. Nanoparticulate Drug Delivery Systems focuses on the rationales and preclinical evaluation of new nanoparticulate drug carriers that have yet to be thoroughly reviewed in the literature. The first chapter sets the stage with a genTable of ContentsPreface vii Contributors ix 1 Tumor-Targeted Nanoparticles: State-of-the-Art and Remaining Challenges 1 Gaurav Bajaj and Yoon Yeo 2 Applications of Ligand-Engineered Nanomedicines 21 Gayong Shim, Joo Yeon Park, Lee Dong Roh, Yu-Kyoung Oh, and Sangbin Lee 3 Lipid Nanoparticles for the Delivery of Nucleic Acids 51 Yuhua Wang and Leaf Huang 4 Photosensitive Liposomes as Potential Targeted Therapeutic Agents 81 David H. Thompson, Pochi Shum, Oleg V. Gerasimov, and Marquita Qualls 5 Multifunctional Dendritic Nanocarriers: The Architecture and Applications in Targeted Drug Delivery 101 Ryan M. Pearson, Jin Woo Bae, and Seungpyo Hong 6 Chitosan-Based Nanoparticles for Biomedical Applications 129 Heebeom Koo, Kuiwon Choi, Ick Chan Kwon, and Kwangmeyung Kim 7 Polymer–Drug Nanoconjugates 151 Rong Tong, Li Tang, Nathan P. Gabrielson, Qian Yin, and Jianjun Cheng 8 Nanocrystals Production, Characterization, and Application for Cancer Therapy 183 Christin P. Hollis and Tonglei Li 9 Clearance of Nanoparticles During Circulation 209 Seung-Young Lee and Ji-Xin Cheng 10 Drug Delivery Strategies for Combating Multiple Drug Resistance 241 Joseph W. Nichols and You Han Bae 11 Intracellular Trafficking of Nanoparticles: Implications for Therapeutic Efficacy of the Encapsulated Drug 261 Lin Niu and Jayanth Panyam 12 Toxicological Assessment of Nanomedicine 281 Hayley Nehoff, Sebastien Taurin, and Khaled Greish Index 307

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Book SynopsisTested and proven solutions to the challenges of biological drug product development Biological drug products play a central role in combating human diseases; however, developing new successful biological drugs presents many challenges, including labor intensive production processes, tighter regulatory controls, and increased market competition. This book reviews the current state of the science, offering readers a single resource that sets forth the fundamentals as well as tested and proven development strategies for biological drugs. Moreover, the book prepares readers for the challenges that typically arise during drug development, offering straightforward solutions to improve their ability to pass through all the regulatory hurdles and deliver new drug products to the market. Biological Drug Products begins with general considerations for the development of any biological drug product and then explores the strategies and challenges involved in the devTrade Review“Thus, it will be a valuable resource for both novice and expert alike.” (ChemMedChem, 1 October 2014)Table of ContentsDedication Preface Part 1. General Aspects 1 Chapter 1. An Overview of Discovery and Development Process For Biologics 3 Heather H. Shih, Paula Miller and Douglas C. Harnish Chapter 2. Nonclinical Safety Assessment of Biologics, Including Vaccines 31 Liangbiao George Hu, David W. Clarke Chapter 3 Clinical Assessment of Biologics Agents 57 Lesley Ann Saketkoo, Shikha Mittoo and Luis R. Espinoza Chapter 4. Key Regulatory Guidelines for Development of Biologics In The U.S. And Europe 75 Richard Kingham, Gabriela Klasa and Krista Hessler Carver Chapter 5. Landscape and Consideration of Intellectual Property for Development Of Biosimilars 111 Srikumaran Melethil Chapter 6. Scientific Aspects of Sterility Assurance, Sterility, Asepsis, and Sterilization 133 James E. Akers and James P. Agalloco Part 2. Proteins/Peptides 163 Chapter 7. Cell Cell Culture Processes in Monoclonal Antibody Production 165 Feng Li, Amy (Yijuan) Shen and Ashraf Amanullah Chapter 8. Protein/Peptide Purification and Virus Reduction 203 Beckley K. Nfor, Esteban Freydell and Marcel Ottens Chapter 9. Chemical and Genetic Modification 233 M Farys, C Ginn, G Badescu, K Peciak, E Pawlisz, H Khalili and S Brocchini Chapter 10. Analytical Characterization of Proteins/Peptides 285 Yajun Jennifer Wang and Brian Hosken Chapter 11. Protein/Peptide Formulation Development 323 Satoshi Ohtake and Wei Wang Chapter 12. Regulatory Strategies and Lessons in the Development Of Biosimilars 367 Umang S. Shah Part 3. Vaccines 409 Chapter 13. Vaccine Development – History, Current Status and Future Trends 411 Leo Van Der Pol and Jean-Pierre Amorij Chapter 14. Role and Application of Adjuvants and Delivery Systems in Vaccines 437 Rajesh K. Gupta Chapter 15. Methods for Characterizing Proteins in Aluminum Adjuvant Formulations 469 Martinus A.H. Capelle, Emilie Poirier and Tudor Arvinte Part 4. Novel Biologics 487 Chapter 16. The State Of The Art and Future of Gene Medicines 489 Frank Jacobs, Stephanie C. Gordts and Bart De Geest Chapter 17. Nucleic Acid Vaccines 531 Rachel Buglione-Corbett, John Suschak, Shixia Wang and Shan Lu Chapter 18. Multifunctional Polymeric Nano-Systems for Rna Interference Therapy 569 Arun Iyer, Shanthi Ganesh, Qiong L. Zhou and Mansoor Amiji Chapter 19. Advent and Maturation of Regenerative Medicine 601 Abner M. Mhashilkar and Anthony Atala Part 5. Product Administration/Delivery 629 Chapter 20. Conventional and Novel Container Closure/Delivery Systems 631 Joseph Wong and Mahesh V. Chaubal Chapter 21. Controlled-Release Systems for Biologics 655 Mayura Oak, Rhishikesh Mandke, Buddhadev Layek, Gitanjali Sharma and Jagdish Singh Chapter 22. Routes of Delivery for Biological Drug Products 677 Darrell J. Irvine, Xingfang Su and Brandon Kwong INDEX 725

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Book SynopsisProviding a handy reference to synthetic methods and practical techniques, Heterocyclic Chemistry in Drug Discovery fuses heterocyclic chemistry and drug discovery, two areas that have gone hand-in-hand in the practice of medicinal chemistry, but have not yet come together for training novice medicinal chemists and students.Trade Review“The book can also serve as a textbook for undergraduates and graduates, which is highlighted by the inclusion of interesting problem sets.” (Angew. Chem. Int. Ed, 1 February 2014) “In summary, both students and experts in the field would find useful information in this book.” (ChemMedChem, 1 January 2014) “[Li] has assembled a team of 20 contributing authors from academia and the industry to write this book, which … comes across as a successful fusion of heterocyclic chemistry and drug discovery, from which intending medicinal chemists will derive much benefit, or as Li puts it, a ‘jump-start’ on the competition!.” (Chemistry in Australia, 1 July 2013) Table of ContentsChapter 1 Introduction 1 1.1 Nomenclature of Heterocycles 1 1.2 Aromatic Heterocycles 4 1.3 Importance of Heterocycles in Life 5 1.4 Importance of Heterocycles in Drug Discovery 8 PART I FIVE-MEMBERED HETEROCYCLES WITH ONE HETEROATOM 17 Chapter 2 Pyrroles 18 2.1 Introduction 18 2.2 Reactivity 22 2.3 Construction of the Pyrrole Rings 34 2.4 Palladium Chemistry of Pyrroles 44 2.5 Possible Liabilities of Pyrrole-Containing Drugs 46 2.6 Problems 49 2.7 References 51 Chapter 3 Indoles 54 3.1 Introduction 54 3.2 Reactivity of the Indole Ring 58 3.3 Construction of the Indole Rings 64 3.4 Oxindole-Containing Drug Synthesis 88 3.5 Cross-coupling Reactions for Indoles 91 3.6 Azaindole 104 3.7 Possible Liabilities of Drugs Containing 3-Methylindole 109 3.8 Problems 111 3.9 References 113 Chapter 4 Furans, Benzofurans, Thiophenes, and Benzothiophenes 119 4.1 Introduction 119 4.2 Furans and Benzofuran 126 4.3 Thiophenes and Benzothiophenes 158 4.4 Possible Liabilities of Furan and Thiophene-Containing Drugs 185 4.5 Problems 187 4.6 References 191 PART II FIVE-MEMBERED HETEROCYCLES WITH TWO OR MORE HETEROATOMS 197 Chapter 5 Pyrazoles, Pyrazolones, and Indazoles 198 5.1 Introduction 198 viii 5.2 Reactivity of the Pyrazoles and Indazoles 202 5.3 Construction of the Pyrazole and Indazole Rings 206 5.4 Pyrazolone-containing Drugs 217 5.5 Indazole-containing Drugs 220 5.6 Problems 223 5.7 References 226 Chapter 6 Oxazoles, Benzoxazoles, and Isoxazoles 231 6.1 Introduction 231 6.2 Construction of the Heterocyclic Ring 235 6.3 Reactivity 244 6.4 Cross-Coupling Reactions 250 6.5 Selected Reactions of Isoxazoles 269 6.6 Possible Liabilities of Oxazole-Containing Drugs 270 6.6 Problems 271 6.7 References 278 Chapter 7 Thiazoles and Benzothiazoles 283 7.1 Introduction 283 7.2 Reactions of the Thiazole Ring 290 ix 7.3 Palladium Chemistry Undergone by Thiazoles and Benzothiazoles 300 7.4 Construction of the Thiazole Ring 307 7.5 Construction of the Benzothiazole Ring 315 7.6 Possible Liabilities of Drugs Containing Thiazoles and Benzothiazoles 321 7.7 Thiazoles and Benzothiazoles as Bioisosteres 323 7.8 Problems 325 7.9 References 328 Chapter 8 Imidazoles and Benzimidazoles 333 8.1 Introduction to Imidazole 333 8.2 Reactivity of the Imidazole Ring 335 8.3 Construction of the Imidazole Ring 341 8.3.1 Debus 342 8.4 Conversion of Imidazolines to Imidazoles 353 8.5 Possible Liabilities of Imidazole-Containing Drugs 353 8.6 Introduction to Benzimidazole 354 8.7 Synthesis of Benzimidazoles: Classical Approaches 357 8.8 Construction of the Benzimidazole Core Using Transition Metal- Mediated Approaches 361 8.9 Alternative Cyclization Approach toward Benzimidazoles: Process Route toward BYK405879 367 8.10 Problems 368 8.11 References 370 Chapter 9 Triazoles and Tetrazoles 373 9.1 Introduction 373 9.2 Reactivity of the Triazole and Tetrazole Ring 375 9.3 Construction of the Triazole Ring 384 9.4 Possible Liabilities of Triazole-Containing Drugs 392 9.5 Problems 393 9.6 References 394 PART III SIX-MEMBERED HETEROCYCLES WITH ONE HETEROATOM 397 Chapter 10 Pyridines 398 10.1 Introduction 398 10.2 Reactivity of the Pyridine Ring 404 10.3 Construction of the Pyridine Ring 425 10.4. Problems 457 10.5 References 459 Chapter 11 Quinolines and Isoquinolines 471 11.1 Introduction 471 11.2 Reactivity of the Quinoline and Isoquinoline Ring 474 11.3 Construction of Quinoline Core 492 11.4 Construction of Isoquinoline Core 513 11.5 Possible Liabilities of Drugs Containing Quinoline and Isoquinoline Ring 526 11.6 Problems 527 11.7 References 528 PART IV SIX-MEMBERED HETEROCYCLES WITH TWO HETEROATOMS 535 Chapter 12 Pyrazines and Quinoxalines 536 12.1 Introduction 536 12.2 Formation of Diazines 539 12.3 Reactivity of the Molecules 545 12.4 Coupling Reactions 553 12.5 Problems 562 12.6 References 565 Chapter 13 Pyrimidines 569 13.1 Introduction 569 13.2 Construction of the Pyrimidine Ring 573 13.3 Synthesis of Pyrimidine-Containing Drugs 590 13.4 Problems 608 13.5 References 611 Chapter 14 Quinazolines and Quinazolones 615 14.1 Introduction 615 14.2 Reactions of Quinazolines and Quinazolinones 618 14.3 Quinazoline and Quinazolinone Synthesis 625 14.4 Synthesis of Quinazoline- and Quinazolinone-Containing Drugs 636 14.5 Problems 641 14.6 References 644 Subject Index 647

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Book SynopsisThe tools for detecting false positives, false negatives, and interference in interactions when testing and monitoring therapeutic drug use For physicians monitoring a patient''s progress, efficacy of treatment is often linked to a patient''s response to medication. Determining whether a patient is taking the prescribed amount, the drug or dosage is effective, or the prescribed medication is interacting with other drugs can be determined through drug testing. Written as a guide for toxicologists, chemists, and health professionals involved in patient care, Resolving Erroneous Reports in Toxicology and Therapeutic Drug Monitoring provides an up-to-date introduction to the tests and methodologies used in a toxicology lab as well as the sources of testing error that can lead to false positives, false negatives, and unreliable conclusions of drug abuse or under use. Covering a host of common therapeutic drugs as well as specific types of interference in immunTable of ContentsPreface vii Chapter 1 An Introduction to Tests Performed in Toxicology Laboratories 1 Chapter 2 Challenges in Drugs of Abuse Testing 31 Chapter 3 False-Positive Results Using Immunoassays for Drugs of Abuse Testing 53 Chapter 4 True-Positive Drugs of Abuse Test Results Due to Use of Prescriptions and Nonprescription Drugs 67 Chapter 5 When Toxicology Report Is Negative in a Suspected Overdosed Patient: The World of Designer Drugs 85 Chapter 6 Abuse of Magic Mushrooms, Peyote Cactus, Khat, and Solvents: No Readily Available Laboratory Tests 101 Chapter 7 Limitations of Blood Alcohol Measurements Using Automated Analyzers and Breath Analyzers 121 Chapter 8 Role of the Laboratory in Detecting Other Poisoning, Including Pesticides, Ethylene Glycol, and Methanol 139 Chapter 9 Poisoning with Warfarin and Superwarfarin: What Can Laboratory Testing Do? 161 Chapter 10 Plant Poisoning and the Clinical Laboratory 185 Chapter 11 Sources of Erroneous Results in Therapeutic Drug Monitoring Due to Preanalytical Errors, High Bilirubin, Hemolysis, and Lipids 213 Chapter 12 Challenges in Therapeutic Drug Monitoring of Digoxin Using Immunoassays 237 Chapter 13 Interference in Immunoassays Used for Monitoring Anticonvulsants and the Usefulness of Monitoring Free Anticonvulsants 265 Chapter 14 Interference in Immunoassays Used to Monitor Tricyclic Antidepressants 293 Chapter 15 Therapeutic Drug Monitoring of Immunosuppressants: Limitations of Immunoassays and the Need for Chromatographic Methods 323 Chapter 16 Effect of Drug–Herb Interactions on Therapeutic Drug Monitoring 355 Chapter 17 Pharmacogenomics and the Toxicology Laboratory 385 Chapter 18 Approaches for Eliminating Interference/Discordant Specimens in Therapeutic Drug Monitoring and Drugs of Abuse Testing 411 Index 429

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Book SynopsisWith a focus on methods and practices for how to engineer functionality into organic molecules, Organic Synthesis and Molecular Engineering takes a synthesis-oriented approach to organic materials chemistry.Table of ContentsAcknowledgements vii Contributors ix 1 Introduction 1 Mogens Brøndsted Nielsen 2 Organic Building Blocks for Molecular Engineering 4 Kasper Lincke and Mogens Brøndsted Nielsen 3 Design and Synthesis of Organic Molecules for Molecular Electronics 46 Karsten Jennum and Mogens Brøndsted Nielsen 4 Carbon Nanotubes and Graphene 76 Helena Grennberg 5 H-Bond Based Nanostructuration of Supramolecular Organic Materials 128 Tomas Marangoni and Davide Bonifazi 6 Molecular Systems for Solar Thermal Energy Storage and Conversion 179 Kasper Moth-Poulsen 7 Strategies to Switch Fluorescence with Photochromic Oxazines 197 Erhan Deniz, Janet Cusido, Massimiliano Tomasulo, Mutlu Battal, Ibrahim Yildiz, Marco Petriella, Mariano L. Bossi, Salvatore Sortino, and Françisco M. Raymo 8 Supramolecular Redox Transduction: Macrocyclic Receptors for Organic Guests 213 Sébastien Goeb, David Canevet, and Marc Sallé 9 Detection of Nitroaromatic Explosives Using TTF-Calix[4]pyrroles 257 Karina R. Larsen, Kent A. Nielsen, Jonathan L. Sessler, and Jan O. Jeppesen 10 Recognition of Carbohydrates 284 Martina Cacciarini 11 Cyclodextrin Based Artificial Enzymes: Synthesis and Function 305 Christian Marcus Pedersen and Mikael Bols 12 Organozymes: Molecular Engineering and Combinatorial Selection of Peptidic Organo and Transition Metal Catalysts 333 Morten Meldal 13 Dendrimers in Biology and Nanomedicine 361 Jørn Bolstad Christensen 14 Dynamic Combinatorial Chemistry 393 Brian Rasmussen, Anne Sørensen, Sophie R. Beeren, and Michael Pittelkow Index 437

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Book SynopsisDemonstrating how and why to measure physicochemical and biomimetic properties in early stages of drug discovery for lead optimization, Physicochemical and Biomimetic Properties in Drug Discovery encourages readers to discover relationships between various measurements and develop a sense of interdisciplinary thinking that will add to new research in drug discovery. This practical guide includes detailed descriptions of state-of-the-art chromatographic techniques and uses real-life examples and models to help medicinal chemists and scientists and advanced graduate students apply measurement data for optimal drug discovery.Trade Review“This is one of those books that will not gather dust on the shelf (barring an epochal revolution in the field) because it will be a constant point of reference for established scientists participating in multidisciplinary pharmaceutical research teams or those who wish to establish themselves in this area.” (Doody’s, 16 January 2015)Table of ContentsPreface xi 1 The Drug Discovery Process 1 Summary 7 Question for Review 7 References 7 2 Drug-Likeness and Physicochemical Property Space of Known Drugs 9 Summary 12 Questions for Review 13 References 13 3 Basic Pharmacokinetic Properties 15 Absorption 17 Plasma Protein Binding 20 Distribution 22 Volume of Distribution 23 Unbound Volume of Distribution 29 Half-Life 30 Metabolism and Clearance 30 Free Drug Hypothesis 31 Summary 31 Questions for Review 32 References 33 4 Principles and Methods of Chromatography for the Application of Property Measurements 34 Theoretical Background of Chromatography 35 Retention Factor and Its Relation to the Distribution Constant Between the Mobile and the Stationary Phases 37 Measure of Separation Efficiency 40 Resolution and Separation Time 42 Gradient Elution 44 Applicability of Chromatography for Measurements of Molecular Properties 47 Summary 49 Questions for Review 50 References 50 5 Molecular Physicochemical Properties that Influence Absorption and Distribution—Lipophilicity 52 Partition Coefficient 52 Lipophilicity Measurements by Reversed Phase Chromatography with Isocratic Elution 58 Lipophilicity Measurements by Reversed Phase Chromatography with Gradient Elution 68 Lipophilicity of Charged Molecules—pH Dependence of Lipophilicity 72 Biomimetic Lipophilicity Measurements by Chromatography 78 Comparing Various Lipophilicity Measures by the Solvation Equation Model 90 Summary 102 Questions for Review 105 References 105 6 Molecular Physicochemical Properties that Influence Absorption and Distribution—Solubility 112 Definition of Solubility 112 Molecular Interactions with Water 116 Various Solubility Measurements that can be Applied During the Drug Discovery Process 119 Conditions that Affect Solubility 121 Solubility–pH Profile 132 Solubility and Dissolution in Biorelevant Media 134 Composition of Fasted State Simulated Intestinal Fluid (FaSSIF) 136 Preparation of FaSSIF Solution 136 Composition of Fed State Simulated Intestinal Fluid (FeSSIF) 136 Preparation of FeSSIF solution 136 Summary 143 Questions for Review 146 References 146 7 Molecular Physicochemical Properties that Influence Absorption and Distribution—Permeability 150 Biological Membranes 150 Artificial Membranes 153 Physicochemical Principles of Permeability 155 Experimental Methods to Measure Artificial Membrane Permeability 159 Relationships Between Permeability, Lipophilicity, and Solubility 166 Chromatography as a Potential Tool for Measuring the Rate of Permeation 171 Summary 175 Questions for Review 178 References 178 8 Molecular Physicochemical Properties that Influence Absorption and Distribution—Acid Dissociation Constant—pKa 182 Definition of pKa 182 Methods for Determining pKa 188 Spectrophotometric Determination of pKa 192 Determination of pKa by Capillary Electrophoresis 195 Chromatographic Approaches for the Determination of pKa 197 Summary 207 Questions for Review 209 References 209 9 Models with Measured Physicochemical and Biomimetic Chromatographic Descriptors—Absorption 213 Lipinski Rule of Five 214 Absorption Models with Lipophilicity and Size 217 Biopharmaceutics Classification System (BCS) 221 Absorption Potential—Maximum Absorbable Dose 227 Abraham Solvation Equations for Modeling Absorption 232 Effect of Active Transport and Metabolizing Enzymes on Oral Absorption and Bioavailability 235 Summary 236 Questions for Review 238 References 238 10 Models with Measured Physicochemical and Biomimetic Chromatographic Descriptors—Distribution 242 Models for Volume of Distribution 249 Plasma Protein Binding 276 Blood/Brain Distributions 288 Tissue Distribution 294 Summary 296 Questions for Review 298 References 298 11 Models with Measured Physicochemical and Biomimetic Chromatographic Descriptors—Drug Efficiency 303 Drug Efficiency 303 Summary 327 Questions for Review 327 References 328 12 Applications and Examples in Drug Discovery 330 Structure–Lipophilicity Relationships 330 Structure–Solubility Relationships 346 Structure–Permeability Relationships 354 Structure–Charge State Relationships 362 Structure–Protein Binding Relationships 366 Structure–Phospholipid Binding Relationships 371 Summary 376 Questions for Review 379 References 379 Appendix A Answers to the Questions for Review 387 Appendix B List of Abbreviations and Symbols 427 Index 433

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Book SynopsisHumans are exposed to harmful persistent organic pollutants (POPs) every day.Table of ContentsContributors vii 1. Introduction: Why Should We Care about Organic Chemicals and Human Health? 1 David O. Carpenter 2. Sources of Human Exposure 8 Martí Nadal and José L. Domingo 3. The Burden of Cancer from Organic Chemicals 26 Molly M. Jacobs, Rachel I. Massey, and Richard W. Clapp 4. Carcinogenicity and Mechanisms of Persistent Organic Pollutants 57 Gabriele Ludewig, Larry W. Robertson, and Howard P. Glauert 5. Diabetes and the Metabolic Syndrome 101 Duk-Hee Lee and David R. Jacobs, Jr. 6. Mechanistic Basis for Elevation in Risk of Diabetes Caused by Persistent Organic Pollutants 130 Jérôme Ruzzin 7. Cardiovascular Disease and Hypertension 143 Marian Pavuk and Nina Dutton 8. Obesity 174 Eveline Dirinck, Adrian Covaci, Luc Van Gaal, and Stijn Verhulst 9. Effects and Predicted Consequences of Persistent and Bioactive Organic Pollutants on Thyroid Function 203 Stefanie Giera and R. Thomas Zoeller 10. An Overview of the Effects of Organic Compounds on Women’s Reproductive Health and Birth Outcomes 237 Susan R. Reutman and Juliana W. Meadows 11. Effects of Organic Chemicals on the Male Reproductive System 315 Lars Rylander and Anna Rignell-Hydbom 12. Effects of Endocrine-Disrupting Substances on Bone and Joint 332 Chi-Hsien Chen and Yueliang Leon Guo 13. Organic Chemicals and the Immune System 362 David O. Carpenter 14. Exposures to Organic Pollutants and Respiratory Illnesses in Adults and Children 384 Krassi Rumchev, Jeff Spickett, and Janelle Graham 15. Cognitive Function 400 Lizbeth López-Carrillo and Mariano E. Cebrián 16. Intellectual Developmental Disability Syndromes and Organic Chemicals 421 David O. Carpenter 17. Mechanisms of the Neurotoxic Actions of Organic Chemicals 448 David O. Carpenter 18. Parkinson’s Disease 471 Samuel M. Goldman 19. Psychiatric Effects of Organic Chemical Exposure 514 James S. Brown, Jr. 20. Growth and Development 532 Lawrence M. Schell, Mia V. Gallo, and Kristopher K. Burnitz 21. How Much Human Disease Is Caused by Exposure to Organic Chemicals? 557 David O. Carpenter Index 570

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Book SynopsisThis new volume in the venerable Organic Reactions series comprises two chapters written in part by the inventors of the unique and important name reactions discussed in these chapters. The first chapter describes a truly remarkable transformation of carboxylic acid derivatives into heteroatom-substituted cyclopropanes, now known as Kulinkovich Cyclopropanation. The second chapter represents an homage to one of the giants of organic chemistry, Sir Derek H. R. Barton. This chapter covers the radical deoxygenation of secondary alcohols that has become known as the Barton-McCombie Reaction.Table of Contents1. The Kulinkovich Cyclopropanation of Carboxylic Acid Derivatives 1Jin Kun Cha and Oleg G. Kulinkovich 2. The Barton-Mccombie Reaction 161Stuart W. McCombie, William B. Motherwell, and Matthew J. Tozer Cumulative Chapter Titles By Volume 593 Author Index, Volumes 1–77 609 Chapter and Topic Index, Volumes 1–77 615

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Book SynopsisThe Advances in Chemical Physics seriesthe cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Kinetics and thermodynamics of fluctuation-induced transitions in multistable systems (G. Nicolis and C. Nicolis) Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems (Titus S. van Erp) Confocal depolarized dynamic light scattering (M. PoTable of Contents Kinetics and Thermodynamics of Fluctuation-Induced Transitions in Multistable Systems 1 By Gregoire Nicolis and Catherine Nicolis Dynamical Rare Event Simulation Techniques for Equilibrium and Nonequilibrium Systems 27 By Titus S. Van Erp Confocal Depolarized Dynamic Light Scattering 61 By M. Potenza, T. Sanvito, V. Degiorgio, and M. Giglio The Two-Step Mechanism and The Solution-Crystal Spinodal for Nucleation of Crystals in Solution 79 By Peter G. Vekilov Experimental Studies of Two-Step Nucleation During Two-Dimensional Crystallization of Colloidal Particles with Short-Range Attraction 111 By John R. Savage, Liquan Pei, and Anthony D. Dinsmore On the Role of Metastable Intermediate States in the Homogeneous Nucleation of Solids from Solution 137 By James F. Lutsko Effects of Protein Size on the High-Concentration/Low-Concentration Phase Transition 173 By Patrick Grosfils Geometric Constraints in the Self-Assembly of Mineral Dendrites and Platelets 193 By John J. Kozak What can Mesoscopic Level IN SITU Observations Teach us About Kinetics and Thermodynamics of Protein Crystallization? 223 By Mike Sleutel, Dominique Maes, and Alexander Van Driessche The Ability of Silica to Induce Biomimetic Crystallization of Calcium Carbonate 277 By Matthias Kellermeier, Emilio Melero-García, Werner Kunz, and Juan Manuel García-Ruiz Author Index 309 Subject Index 325

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Table of ContentsMultidimensional Incoherent Time-Resolved Spectroscopy and Complex Kinetics 1 By Mark A. Berg Complex Multiconfigurational Self-Consistent Field-Based Methods to Investigate Electron-Atom/Molecule Scattering Resonances 103 By Kousik Samanta and Danny L. Yeager Determination of Molecular Orientational Correlations in Disordered Systems from Diffraction Data 143 By Szilvia Pothoczki, László Temleitner, and László Pusztai Recent Advances in Studying Mechanical Properties of DNA 169 By Reza Vafabakhsh, Kyung Suk Lee, and Taekjip Ha Viscoelastic Subdiffusion: Generalized Langevin Equation Approach 187 By Igor Goychuk Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics 255 By Xiongwu Wu, Ana Damjanovic, and Bernard R. Brooks Author Index 327 Subject Index 345

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Book SynopsisThe one-stop reference to the essentials of color science and technologynow fully updated and revised The fully updated Third Edition of Color: An Introduction to Practice and Principles continues to provide a truly comprehensive, non-mathematical introduction to color science, complete with historical, philosophical, and art-related topics. Geared to non-specialists and experts alike, Color clearly explains key technical concepts concerning light, human vision, and color perception phenomena. It covers color order systems in depth, examines color reproduction technologies, and reviews the history of color science as well as its relationship to art and color harmony. Revised throughout to reflect the latest developments in the field, the Third Edition: Features many new color illustrations, now fully incorporated into the text Offers new perspectives on what color is all about, diverging from conventional thinking InTrade Review“There is a tremendous appearance change to the third edition, color has spread throughout the 12 chapters of the new edition of Rolf Kuehni’s Color: An Introduction to Practice and Principles , rather than being relegated to a four-sheet insert as it was in the 2nd edition. . . All in all, if you have a choice, do not settle for an earlier edition, get the new one.” (Color Research and Application, 21 May 2013) Table of ContentsPreface ix 1. Sources of Color 1 2. What Is Color and How Did We Come to Experience It? 23 3. From Light to Color 37 4. Color Perception Phenomena 51 5. Orderly Arrangements of Color 79 6. Defining the Color Stimulus 113 7. Calculating Color 131 8. Colorants and Their Mixture 151 9. Color Reproduction 167 10. The Web of Color 187 11. Color (Theory) in Art 219 12. Harmony of Colors 243 Appendix: Timetable of Color in Science and Art 257 Glossary 261 Credits 273 Index 275

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Book SynopsisThe current volume continues the tradition of the Organic Synthesis series, providing carefully checked and edited experimental procedures that describe important synthetic methods, transformations, reagents, and synthetic building blocks or intermediates with demonstrated utility in organic synthesis. These significant and interesting procedures should prove worthwhile to many synthetic chemists working in increasingly diverse areas. A trusted guide for professionals in organic and medicinal chemistry in academia, government, and industries, including phar-maceuticals, fine chemicals, agrochemicals, and biotech.Table of ContentsEditorial: Organic Syntheses: The “Gold Standard” for Experimental Synthetic Organic Chemistry 1 Rick L. Danheiser α-Arylation of Esters Catalyzed by the Pd(I) Dimer [P(t-Bu)3Pd(µ-Br)] 4 David S. Huang, Ryan J. DeLuca, and John F. Hartwig The Preparation of Amides by Copper-medicated Oxidative Coupling of Aldehydes and Amine Hydrochloride Salts 14 Maxime Giguère-Bisson, Woo-Jin Yoo, and Chao-Jun Li Synthesis of 2-Aryl Pyridines by Palladium-Catalyzed Direct Arylation of Pyridine N-Oxides 22 Louis-Charles Campeau and Keith Fagnou The Preparation of Indazoles via Metal Free Intramolecular Electrophilic Animation of 2-Aminophenyl Ketoximes 33 Carla M. Councellar, Chad C. Eichman, Brenda C. Wray, Eric R. Welin, and James P. Stambuli The Preparation of (2R,5S)-2-t-Butyl-3,5-Dimethylimidazolidin-4-One 42 Thomas H. Graham, Benjamin D. Horning, and David W. C. MacMillan Synthesis of Et2SB•SbCl5Br and Its Use in Biomimetic Brominative Polyene Cyclizations 54 Scott A. Snyder and Daniel S. Treitler Discussion Addendum for: Asymmetric Synthesis of (M)-2- Hydroxymethyl-1-(2-Hydroxy-3,6-Dimethylphenyl)Naphthalene via a Configurationally Unstable Biaryl Lactone 70 G. Bringmann, T. A. M. Gulder, and T. Gulder Synthesis of Lithium 2-Pyridyltriolborate and Its Cross-Coupling Reaction with Aryl Halides 79 Yasunori Yamamoto, Juugaku Sigai, Miho Takizawa, and Norio Miyaura Synthesis of (+)-B-Allyldiisopinocampheylborane and It Reaction with Aldehydes 87 Huikai Sun and William R. Roush Discussion Addendum for: Palladium-Catalyzed Cross-Coupling of (Z)-1-Heptenyldimethylsilanol with 4-Iodoanisole: (Z)-(1-Heptenyl)-4-Methoxybenzene 102 Scott E. Denmark and Jack Hung-Chang Liu The Preparation of Cyclohept-4-Enones by Rhodium-Catalyzed Intermolecular [5+2] Cycloaddition 109 Paul A. Wender, Adam B. Lesser, and Lauren E. Sirois Organocatalytic Enantioselective Synthesis of Bicyclic ß-Lactones from Aldehyde Acids via Nucleophile-Catalyzed Aldol-Lactonization (NCAL) 121 Henry Nguyen, Seongho Oh, Huda Henry-Riyad, Diana Sepulveda, and Daniel Romo Phosphine-Catalyzed [3 + 2) Annulation: Synthesis of Ethyl 5-(tert-Butyl)-2-Phenyl-1-Tosyl-3-Pyrroline-3-Carboxylate 138 Ian P. Andrews and Ohyun Kwon Preparation of Horner-Wadsworth-Emmons Reagent: Methyl 2-Benzyloxycarbonylamino-2-(Dimethoxy-Phosphinyl)Acetate 152 Hiroki Azuma, Kentaro Okano, Tohru Fukuyama, and Hidetoshi Tokuyama Discussion Addendum for: 5-ENDO-TRIG Cyclization of 1,1-Difluoro-1-Alkenes: Synthesis of 3-Butyl-2-Fluoro-1-Tosylindole (1H-Indole, 3-Butyl-2-Fluoro-1-[(4-Methylphenyl)Sulfonyl-) 162 Junji Ichikawa Preparation of a Thrifluoromethyl Transfer Agent: 1-Trifloromethyl-1,3-Dihydro-3,3-Dimenthyl-1,2-Benziodoxole 168 Patrick Eisenberger, Iris Kieltsch, Raffael Koller, Kyrill Stanek, and Antonio Tongni Synthesis of (S,S)-Diisopropyl Tartrate (E)-Crothylboronate and Its Reaction with Aldehydes: (2R,3R,4R)-1,2-Dideoxy-2-Ethenyl-4,5,-O-(1-Methylethylidene)-Xylitol 181 Huikai Sun and William R. Roush Discussion Addendum for: 4-Methoxy-4’-Nitrophenyl. Recent Advances in the Stille Biaryl Coupling Reaction and Applications in Complex Natural Products Synthesis 197 Robert M. Williams Discussion Addendum for: Palladium-Catalyzed Reaction of 1-Alkenylboronates with Vinylic Halides: (1Z,3E)-1-Phenyl-1,3-Octadiene 202 Norio Miyaura Discussion Addendum for: Palladium (0)-Catalyzed Reaction of 9-Alkyl-9-Borabicyclo[3.3.1]Nonane with 1-Bromo-1-Phenylthioethene: 4-(3-Cyclohexenyl )-2-Phenylthio-1-1-Butene 207 Norio Miyaura Preparation of Isopropyl 2-Diazoacetyl(Phenyl)Carbamate 212 Hubert Muchalski, Amanda B. Doody, Timothy L. Troyer, and Jeffrey N. Johnson Gram Scale Catalytic Asymmetric Aziridination: Preparation of (2R,3R)-Ethyl 1-Benzhydryl-3-(4-Bromopheneyl)Aziridine 2-Carboxylate 224 Aman A. Desai, Roberto Morán-Ramallal, and William D. Wulff Cu-Catalyzed Azide-Alkyne Cycloaddition: Preparation of Tris((1-Benzyl-1H-1,2,3-Triazolyl )Methyl)Amine 238 Jason E. Hein, Larissa B. Krasnova, Masayuki Iwasaki, and Valery V. Fokin Lithiated Primary Alkyl Carbamates for the Homologation of Boronic Esters Matthew P. Webster, Benjamin M. Partridge, and Varinder K. Aggarwal Discussion Addendum for: Palladium-Catalyzed Reduction of Vinyl Trifluoromethanesulfonates to Alkenes: Cholesta-3,5-Diene 260 Sandro Cacchi, Enrico Morera, and Giorgio Ortar Discussion Addendum for: Synthesis of Indoles by Palladium-Catalyzed Reductive N-Heteroannulation of 2-Nitrostyrenes: Methyl Indole-4-Carboxylate 291 Björn C. Söderberg An Economical Synthesis of 4-Trimethysilyl-2-Butyn-1-OL 296 Alexander N. Wein, Rongbiao Tong, and Frank E. McDonald Silver-Catalyzed Rearrangement of Propargylic Sulfinates: Synthesis of Allengic Sulfones 309 Michael Harmata, Zhengxin Cai and Chaofeng Huang (Sa,S)-N-[2’-(Methylphenylsulfonamido)-1-1’-Binaphthyl-2-YL]Pyrrolidine-2-Carboxamide: An Organocatalyst for the Direct Aldol Reaction 317 Santiago F. Viózquez, Gabriela Guillene, Carmen Nájera, Ben Bradshaw, Gorka Etxebarria-Jardi, and Josep Bonjoch Synthesis of (S)-8a-Methyl-3,4,8,8a-Tetrahydro-1,6-(2H,7H)-Naphthalenedione via N-Tosyl-(Sa)-Binam-L-Pholinamide Organocatalysis 330 Ben Bradshaw, Gorka Etxebarria-Jardi, Josep Bonjoch, Santiago F. Viózquez, Gabriela Guillena, and Carmen Nájera Stereoselective Nickel-Catalyzed 1,4-Hydroboration of 1,3-Dienes 342 Robert J. Ely and James P. Morken Tandem Nucleophilic Addition/Fragmentation of Vinylogous Acyl Triflates: 2-Methyl-2-(1-Oxo-5-Heptynyl)-1-3-Dithiane 353 Marilda P. Lisboa, Tunf T. Hoang, and Gregory B. Dudley Synthesis and Diasteroselective Aldol Reactions of a Thiazolidinethione Chiral Auxiliary 364 Michael T. Crimmins, Hamish S. Christie, and Colin O. Hughes Synthesis of 2,3-Disubstituted Indoles via Palladium-Catalyzed Annulation of Internal Alkynes: 3-Methyl-2-(Trimethylsilyl)Indole 377 Yu Chen, Nataliya A. Markina, Tuanli Yao, and Richard C. Larock An Intramolecular Amination of Aryyl Halides with a Combination of Copper (I) and Cesium Acetate: Preparation of 5,6-Dimethoxyindole-1,2-Dicarboxylic Acid 1-Benzyl Ester 2-Methyl Ester 388 Toshiharu Noji, Kentaro Okano, Tohru Fukuyama, and Hidetoshi Tokuyama Ligand-Free Copper(II) Oxide Nanoparticles-Catalyzed Synthesis of Substituted Benzoxazoles 398 Prasenjit Saha, Md Ashif Ali, and Tharmalingam Punniyamurthy (R)-3,3’-Bis(9-Phenanthyryl)-1,1’-Binaphthalene-2,2’-Diyl Hydrogen Phosphate 406 Wenhao Hu, Jing Zhou, Xinfang Xu, Weijun Liu, and Liuzhu Gong Enantioselective Three-Component Reaction for the Preparation of ß-Amino-a-Hydroxy Esters 418 Jing Zhou, Xinfang Xu, and Wenhao Hu Mild Conversion of Tertiary Amides to Aldehydes Using Cp2Zr(H)Cl (Schwartz’s Reagent) 427 Matthew W. Leighty, Jared T. Spletstoser, and Gunda I. Georg

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Book SynopsisThis book provides the vision of a successful biorefinery the lignocelluloic biomass needs to be efficiently converted to its constituent monomers, comprising mainly of sugars such as glucose, xylose, mannose and arabinose.Table of ContentsPREFACE xv CONTRIBUTORS xix PART I ENABLING PROCESSING TECHNOLOGIES 1 Biorefineries—Concepts for Sustainability 3 Michael Sauer, Matthias Steiger, Diethard Mattanovich, and Hans Marx 1.1 Introduction 4 1.2 Three Levels for Biomass Use 5 1.3 The Sustainable Removal of Biomass from the Field is Crucial for a Successful Biorefinery 7 1.4 Making Order: Classification of Biorefineries 8 1.5 Quantities of Sustainably Available Biomass 10 1.6 Quantification of Sustainability 11 1.7 Starch- and Sugar-Based Biorefinery 12 1.7.1 Sugar Crop Raffination 14 1.7.2 Starch Crop Raffination 14 1.8 Oilseed Crops 14 1.9 Lignocellulosic Feedstock 16 1.9.1 Biochemical Biorefinery (Fractionation Biorefinery) 16 1.9.2 Syngas Biorefinery (Gasification Biorefinery) 18 1.10 Green Biorefinery 19 1.11 Microalgae 20 1.12 Future Prospects—Aiming for Higher Value from Biomass 21 References 24 2 Biomass Logistics 29 Kevin L. Kenney, J. Richard Hess, Nathan A. Stevens, William A. Smith, Ian J. Bonner, and David J. Muth 2.1 Introduction 30 2.2 Method of Assessing Uncertainty, Sensitivity, and Influence of Feedstock Logistic System Parameters 31 2.2.1 Analysis Step 1—Defining the Model System 31 2.2.2 Analysis Step 2—Defining Input Parameter Probability Distributions 31 2.2.3 Analysis Step 3—Perform Deterministic Computations 32 2.2.4 Analysis Step 4—Deciphering the Results 34 2.3 Understanding Uncertainty in the Context of Feedstock Logistics 36 2.3.1 Increasing Biomass Collection Efficiency by Responding to In-Field Variability 36 2.3.2 Minimizing Storage Losses by Addressing Moisture Variability 38 2.4 Future Prospects 40 2.5 Financial Disclosure/Acknowledgments 40 References 41 3 Pretreatment of Lignocellulosic Materials 43 Karthik Rajendran and Mohammad J. Taherzadeh 3.1 Introduction 44 3.2 Complexity of Lignocelluloses 45 3.2.1 Anatomy of Lignocellulosic Biomass 45 3.2.2 Proteins Present in the Plant Cell Wall 46 3.2.3 Presence of Lignin in the Cell Wall of Plants 47 3.2.4 Polymeric Interaction in the Plant Cell Wall 48 3.2.5 Lignocellulosic Biomass Recalcitrance 49 3.3 Challenges in Pretreatment of Lignocelluloses 52 3.4 Pretreatment Methods and Mechanisms 53 3.4.1 Physical Pretreatment Methods 53 3.4.2 Chemical and Physicochemical Methods 56 3.4.3 Biological Methods 61 3.5 Economic Outlook 64 3.6 Future Prospects 67 References 68 4 Enzymatic Hydrolysis of Lignocellulosic Biomass 77 Jonathan J. Stickel, Roman Brunecky, Richard T. Elander, and James D. McMillan 4.1 Introduction 78 4.2 Cellulase, Hemicellulase, and Accessory Enzyme Systems and Their Synergistic Action on Lignocellulosic Biomass 79 4.2.1 Biomass Recalcitrance 79 4.2.2 Cellulases 80 4.2.3 Hemicellulases 81 4.2.4 Accessory Enzymes 81 4.2.5 Synergy with Xylan Removal and Cellulases 82 4.3 Enzymatic Hydrolysis at High Concentrations of Biomass Solids 83 4.3.1 Conversion Yield Calculations 84 4.3.2 Product Inhibition of Enzymes 85 4.3.3 Slurry Transport and Mixing 86 4.3.4 Heat and Mass Transport 87 4.4 Mechanistic Process Modeling and Simulation 88 4.5 Considerations for Process Integration and Economic Viability 91 4.5.1 Feedstock 91 4.5.2 Pretreatment 92 4.5.3 Downstream Conversion 94 4.6 Economic Outlook 95 4.7 Future Prospects 96 Acknowledgments 97 References 97 5 Production of Cellulolytic Enzymes 105 Ranjita Biswas, Abhishek Persad, and Virendra S. Bisaria 5.1 Introduction 106 5.2 Hydrolytic Enzymes for Digestion of Lignocelluloses 107 5.2.1 Cellulases 107 5.2.2 Xylanases 108 5.3 Desirable Attributes of Cellulase for Hydrolysis of Cellulose 109 5.4 Strategies Used for Enhanced Enzyme Production 110 5.4.1 Genetic Methods 110 5.4.2 Process Methods 114 5.5 Economic Outlook 123 5.6 Future Prospects 123 References 124 6 Bioprocessing Technologies 133 Gopal Chotani, Caroline Peres, Alexandra Schuler, and Peyman Moslemy 6.1 Introduction 134 6.2 Cell Factory Platform 136 6.2.1 Properties of a Biocatalyst 137 6.2.2 Recent Trends in Cell Factory Construction for Bioprocessing 140 6.3 Fermentation Process 142 6.4 Recovery Process 147 6.4.1 Active Dry Yeast 148 6.4.2 Unclarified Enzyme Product 149 6.4.3 Clarified Enzyme Product 150 6.4.4 BioisopreneTM 151 6.5 Formulation Process 153 6.5.1 Solid Forms 154 6.5.2 Slurry or Paste Forms 159 6.5.3 Liquid Forms 160 6.6 Final Product Blends 161 6.7 Economic Outlook and Future Prospects 162 Acknowledgment 163 Nomenclature 163 References 163 PART II SPECIFIC COMMODITY BIOPRODUCTS 7 Ethanol from Bacteria 169 Hideshi Yanase 7.1 Introduction 170 7.2 Heteroethanologenic Bacteria 172 7.2.1 Escherichia coli 173 7.2.2 Klebsiella oxytoca 177 7.2.3 Erwinia spp. and Enterobacter asburiae 178 7.2.4 Corynebacterium glutamicum 179 7.2.5 Thermophilic Bacteria 180 7.3 Homoethanologenic Bacteria 183 7.3.1 Zymomonas mobilis 184 7.3.2 Zymobacter palmae 189 7.4 Economic Outlook 191 7.5 Future Prospects 192 References 193 8 Ethanol Production from Yeasts 201 Tomohisa Hasunuma, Ryosuke Yamada, and Akihiko Kondo 8.1 Introduction 202 8.2 Ethanol Production from Starchy Biomass 205 8.2.1 Starch Utilization Process 205 8.2.2 Yeast Cell–Surface Engineering System for Biomass Utilization 205 8.2.3 Ethanol Production from Starchy Biomass Using Amylase-Expressing Yeast 206 8.3 Ethanol Production from Lignocellulosic Biomass 208 8.3.1 Lignocellulose Utilization Process 208 8.3.2 Fermentation of Cellulosic Materials 209 8.3.3 Fermentation of Hemicellulosic Materials 215 8.3.4 Ethanol Production in the Presence of Fermentation Inhibitors 217 8.4 Economic Outlook 218 8.5 Future Prospects 220 References 220 9 Fermentative Biobutanol Production: An Old Topic with Remarkable Recent Advances 227 Yi Wang, Holger Janssen and Hans P. Blaschek 9.1 Introduction 228 9.2 Butanol as a Fuel and Chemical Feedstock 229 9.3 History of ABE Fermentation 230 9.4 Physiology of Clostridial ABE Fermentation 232 9.4.1 The Clostridial Cell Cycle 232 9.4.2 Physiology and Enzymes of the Central Metabolic Pathway 233 9.5 Abe Fermentation Processes, Butanol Toxicity, and Product Recovery 236 9.5.1 ABE Fermentation Processes 236 9.5.2 Butanol Toxicity and Butanol-Tolerant Strains 237 9.5.3 Fermentation Products Recovery 238 9.6 Metabolic Engineering and “Omics”—Analyses of Solventogenic Clostridia 239 9.6.1 Development and Application of Metabolic Engineering Techniques 239 9.6.2 Butanol Production by Engineered Microbes 242 9.6.3 Global Insights into Solventogenic Metabolism Based on “Transcriptomics” and “Proteomics” 245 9.7 Economic Outlook 246 9.8 Current Status and Future Prospects 247 References 251 10 Bio-based Butanediols Production: The Contributions of Catalysis, Metabolic Engineering, and Synthetic Biology 261 Xiao-Jun Ji and He Huang 10.1 Introduction 262 10.2 Bio-Based 2,3-Butanediol 264 10.2.1 Via Catalytic Hydrogenolysis 264 10.2.2 Via Sugar Fermentation 265 10.3 Bio-Based 1,4-Butanediol 276 10.3.1 Via Catalytic Hydrogenation 276 10.3.2 Via Sugar Fermentation 277 10.4 Economic Outlook 279 10.5 Future Prospects 280 Acknowledgments 280 References 280 11 1,3-Propanediol 289 Yaqin Sun, Chengwei Ma, Hongxin Fu, Ying Mu, and Zhilong Xiu 11.1 Introduction 290 11.2 Bioconversion of Glucose into 1,3-Propanediol 291 11.3 Bioconversion of Glycerol into 1,3-Propanediol 292 11.3.1 Strains 292 11.3.2 Fermentation 293 11.3.3 Bioprocess Optimization and Control 301 11.4 Metabolic Engineering 302 11.4.1 Stoichiometric Analysis/MFA 302 11.4.2 Pathway Engineering 304 11.5 Down-Processing of 1,3-Propanediol 308 11.6 Integrated Processes 311 11.6.1 Biodiesel and 1,3-Propanediol 311 11.6.2 Glycerol and 1,3-Propanediol 313 11.6.3 1,3-Propanediol and Biogas 314 11.7 Economic Outlook 314 11.8 Future Prospects 315 Acknowledgments 316 A List of Abbreviations 316 References 317 12 Isobutanol 327 Bernhard J. Eikmanns and Bastian Blombach 12.1 Introduction 328 12.2 The Access Code for the Microbial Production of Branched-Chain Alcohols: 2-Ketoacid Decarboxylase and an Alcohol Dehydrogenase 329 12.3 Metabolic Engineering Strategies for Directed Production of Isobutanol 331 12.3.1 Isobutanol Production with Escherichia coli 331 12.3.2 Isobutanol Production with Corynebacterium glutamicum 335 12.3.3 Isobutanol Production with Bacillus subtilis 337 12.3.4 Isobutanol Production with Clostridium cellulolyticum 339 12.3.5 Isobutanol Production with Ralstonia eutropha 339 12.3.6 Isobutanol Production with Synechococcus elongatus 340 12.3.7 Isobutanol Production with Saccharomyces cerevisiae 341 12.4 Overcoming Isobutanol Cytotoxicity 341 12.5 Process Development for the Production of Isobutanol 343 12.6 Economic Outlook 345 12.7 Future Prospects 346 Abbreviations 347 Nomenclature 347 References 349 13 Lactic Acid 353 Kenji Okano, Tsutomu Tanaka, and Akihiko Kondo 13.1 History of Lactic Acid 354 13.2 Applications of Lactic Acid 354 13.3 Poly Lactic Acid 354 13.4 Conventional Lactic Acid Production 356 13.5 Lactic Acid Production From Renewable Resources 357 13.5.1 Lactic Acid Bacteria 359 13.5.2 Escherichia coli 364 13.5.3 Corynebacterium glutamicum 368 13.5.4 Yeasts 370 13.6 Economic Outlook 373 13.7 Future Prospects 374 Nomenclature 374 References 375 14 Microbial Production of 3-Hydroxypropionic Acid From Renewable Sources: A Green Approach as an Alternative to Conventional Chemistry 381 Vinod Kumar, Somasundar Ashok, and Sunghoon Park 14.1 Introduction 382 14.2 Natural Microbial Production of 3-HP 383 14.3 Production of 3-HP from Glucose by Recombinant Microorganisms 385 14.4 Production of 3-HP from Glycerol by Recombinant Microorganisms 388 14.4.1 Glycerol Metabolism for the Production of 3-HP and Cell Growth 389 14.4.2 Synthesis of 3-HP from Glycerol Through the CoA-Dependent Pathway 390 14.4.3 Synthesis of 3-HP From Glycerol Through the CoA-Independent Pathway 392 14.4.4 Coproduction of 3-HP and PDO From Glycerol 394 14.5 Major Challenges for Microbial Production of 3-HP 396 14.5.1 Toxicity and Tolerance 396 14.5.2 Redox Balance and By-products Formation 399 14.5.3 Vitamin B12 Supply 400 14.6 Economic Outlook 400 14.7 Future Prospects 401 Acknowledgment 401 List of Abbreviations 402 References 402 15 Fumaric Acid Biosynthesis and Accumulation 409 Israel Goldberg and J. Stefan Rokem 15.1 Introduction 410 15.1.1 Uses 410 15.1.2 Production 411 15.2 Microbial Synthesis of Fumaric Acid 412 15.2.1 Producer Organisms 412 15.2.2 Carbon Sources 414 15.2.3 Solid-State Fermentations 414 15.2.4 Submerged Fermentation Conditions 415 15.2.5 Transport of Fumaric Acid 416 15.2.6 Production Processes 416 15.3 A Plausible Biochemical Mechanism for Fumaric Acid Biosynthesis and Accumulation in Rhizopus 417 15.3.1 How Can the High Molar Yield of Fumaric Acid be Explained? 417 15.3.2 Where in the Cell is the Localization of the Reductive Reactions of the TCA Cycle? 418 15.3.3 What is the Role of Cytosolic Fumarase in Fumaric Acid Accumulation in Rhizopus Strain? 419 15.4 Toward Engineering Rhizopus for Fumaric Acid Production 422 15.5 Economic Outlook 424 15.6 Future Perspectives 427 15.6.1 Biorefinery 427 15.6.2 Platform Microorganisms 427 Acknowledgment 429 References 430 16 Succinic Acid 435 Boris Litsanov, Melanie Brocker, Marco Oldiges, and Michael Bott 16.1 Succinate as an Important Platform Chemical for a Sustainable Bio-Based Chemistry 436 16.2 Microorganisms for Bio-Succinate Production—Physiology, Metabolic Routes, and Strain Development 437 16.2.1 Anaerobiospirillum succiniciproducens 443 16.2.2 Family Pasteurellaceae 444 16.2.3 Escherichia coli 448 16.2.4 Corynebacterium glutamicum 451 16.2.5 Yeast-Based Producers 454 16.3 Neutral Versus Acidic Conditions for Product Formation 455 16.4 Downstream Processing 456 16.5 Companies Involved in Bio-Succinic Acid Manufacturing 458 16.5.1 Bioamber Inc. 459 16.5.2 Myriant Technologies LLC 459 16.5.3 Reverdia 462 16.5.4 Succinity GmbH 462 16.6 Future Prospects and Economic Outlook 462 References 463 17 Glutamic Acid 473 Takashi Hirasawa and Hiroshi Shimizu 17.1 Introduction 474 17.2 Glutamic Acid Production by Corynebacterium Glutamicum 475 17.2.1 Glutamic Acid Production by Corynebacterium Glutamicum and Its Molecular Mechanism 475 17.2.2 Metabolic Engineering of Glutamic Acid Production by Corynebacterium Glutamicum 478 17.3 Glutamic Acid as a Building Block 481 17.3.1 Production of Chemicals from Glutamic Acid Using Microorganisms 481 17.3.2 Production of Other Chemicals from Glutamic Acid 487 17.4 Economic Outlook 487 17.5 Future Prospects 489 List of Abbreviations 489 References 489 18 Recent Advances for Microbial Production of Xylitol 497 Yong-Cheol Park, Sun-Ki Kim, and Jin-Ho Seo 18.1 Introduction 498 18.2 General Principles for Biological Production of Xylitol 498 18.3 Microbial Production of Xylitol 501 18.3.1 Carbon Sources 501 18.3.2 Aeration 501 18.3.3 Optimization of Fermentation Strategies 503 18.4 Xylitol Production by Genetically Engineered Microorganisms 508 18.4.1 Construction of Xylitol-Producing Recombinant Saccharomyces cerevisiae 508 18.4.2 Cofactor Engineering for Xylitol Production in Recombinant Saccharomyces cerevisiae 510 18.4.3 Other Recombinant Microorganisms for Xylitol Production 512 18.5 Economic Outlook 514 18.6 Future Prospects 515 Acknowledgments 515 Nomenclature 515 References 516 19 First and Second Generation Production of Bio-Adipic Acid 519 Jozef Bernhard Johann Henry van Duuren and Christoph Wittmann 19.1 Introduction 520 19.2 Production of Bio-Adipic Acid 523 19.2.1 Natural Formation by Microorganisms 523 19.2.2 First Generation Bio-Adipic Acid 524 19.2.3 Second Generation Bio-Adipic Acid 528 19.3 Ecological Footprint of Bio-Adipic Acid 530 19.4 Economic Outlook 535 19.5 Future Prospects 536 References 538 INDEX 541

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Book SynopsisFluorescent Analogs of Biomolecular Building Blocks focuses on the design of fluorescent probes for the four major families of macromolecular building blocks. Compiling the expertise of multiple authors, this book moves from introductory chapters to an exploration of the design, synthesis, and implementation of new fluorescent analogues of biomolecular building blocks, including examples of small-molecule fluorophores and sensors that are part of biomolecular assemblies.Trade Review"This book provides a thorough overview on the design and application of fluorescent analogs of biomolecular building blocks...The way the book is written makes reading enjoyable and relatively easy for readers who already have some knowledge on the subject as well as for beginners...Overall, the book is very well achieved, and I strongly recommend reading." (Angewandte Chemie International Edition May 2017)Table of ContentsList of Contributors xv Preface xix 1 Fluorescence Spectroscopy 1 Renatus W. Sinkeldam, L. Marcus Wilhelmsson, and Yitzhak Tor 1.1 Fundamentals of Fluorescence Spectroscopy 1 1.2 Common Fluorescence Spectroscopy Techniques 3 1.2.1 Steady-State Fluorescence Spectroscopy 3 1.2.2 Time-Resolved Fluorescence Spectroscopy 5 1.2.3 Fluorescence Anisotropy 6 1.2.4 Resonance Energy Transfer and Quenching 7 1.2.5 Fluorescence Microscopy and Single Molecule Spectroscopy 8 1.2.6 Fluorescence-Based in vivo Imaging 9 1.3 Summary and Perspective 10 References 10 2 Naturally Occurring and Synthetic Fluorescent Biomolecular Building Blocks 15 Renatus W. Sinkeldam and Yitzhak Tor 2.1 Introduction 15 2.2 Naturally Occurring Emissive Biomolecular Building Blocks 16 2.3 Synthetic Fluorescent Analogs of Biomolecular Building Blocks 18 2.3.1 Synthetic Emissive Analogs of Membranes Constituents 19 2.3.2 Synthetic Emissive Analogs of Amino Acids 22 2.3.3 Synthetic Emissive Analogs of Nucleosides 24 2.4 Summary and Perspective 31 References 32 3 Polarized Spectroscopy with Fluorescent Biomolecular Building Blocks 40 Bo Albinsson and Bengt Nordén 3.1 Transition Moments 40 3.2 Linear Dichroism 41 3.3 Magnetic Circular Dichroism 45 3.4 F̈orster Resonance Energy Transfer (FRET) 46 3.5 Fluorescence Anisotropy 47 3.6 Fluorescent Nucleobases 47 3.7 Fluorescent Peptide Chromophores 48 3.8 Site-Specific Linear Dichroism (SSLD) 50 3.9 Single-Molecule Fluorescence Resonance Energy Transfer (smFRET) 50 3.10 Single-Molecule Fluorescence-Detected Linear Dichroism (smFLD) 51 References 53 4 Fluorescent Proteins: The Show Must go on! 55 Gregor Jung 4.1 Introduction 55 4.2 Historical Survey 55 4.3 Photophysical Properties 57 4.3.1 Absorption Properties and Color Hue Modification 57 4.3.2 Chromophore Formation 61 4.3.3 Fluorescence Color and Dynamics 64 4.3.4 Directional Properties along with Optical Transitions 68 4.3.5 Energy Transfer and Energy Migration 69 4.4 Photochemical Reactions 71 4.4.1 Excited-state Proton Transfer (ESPT) 71 4.4.2 Isomerization Reactions: Reversible Photoswitching 73 4.4.3 Photoconversion: Irreversible Bond Rupture 74 4.4.4 Other Photochemical Reactions 75 4.5 Ion Sensitivity 75 4.5.1 Ground-State Equilibria of Protonation States 75 4.5.2 Quenching by Small Ions 76 4.6 Relation Microscopy–Spectroscopy for Fluorescent Proteins 77 4.6.1 Brightness Alteration from Cuvette to Microscopic Experiments 77 4.6.2 Lessons from Microspectrometry 78 4.6.3 Tools for Advanced Microscopic Techniques 79 4.7 Prospects and Outlook 82 Acknowledgments 82 References 82 5 Design and Application of Autofluorescent Proteins by Biological Incorporation of Intrinsically Fluorescent Noncanonical Amino Acids 91 Patrick M. Durkin and Nediljko Budisa 5.1 Introduction 91 5.2 Design and Synthesis of Fluorescent Building Blocks in Proteins 97 5.2.1 Extrinsic Fluorescent Labels 97 5.2.2 Intrinsic Fluorescent Labels 98 5.2.3 Extrinsic Labels Chemically Ligated using Cycloaddition Chemistry 108 5.2.4 Modification of the Genetic Code to Incorporate ncAAs 109 5.3 Application of Fluorescent Building Blocks in Proteins 111 5.3.1 Azatryptophans 111 5.3.2 FlAsH-EDT2 Extrinsic Labeling System 112 5.3.3 Huisgen Dipolar Cycloaddition System 114 5.4 Conclusions 117 5.5 Prospects and Outlook 118 5.5.1 Heteroatom-Containing Trp Analogs 119 5.5.2 Expanded Genetic Code – Orthogonal Pairs 119 Acknowledgments 120 References 120 6 Fluoromodules: Fluorescent Dye–Protein Complexes for Genetically Encodable Labels 124 Bruce A. Armitage 6.1 Introduction 124 6.2 Fluoromodule Development and Characterization 126 6.2.1 Fluorogenic Dyes 128 6.2.2 Fluorogen-Activating Protein (FAP) Optimization 131 6.2.3 Fluoromodule Recycling 132 6.3 Implementation 132 6.3.1 Fusion Constructs for Protein Tagging 132 6.3.2 Protein Tagging and pH Sensing 133 6.3.3 Super-Resolution Imaging 133 6.3.4 Protease Biosensors 133 6.4 Conclusions 134 6.5 Prospects and Outlook 134 Acknowledgments 134 References 134 7 Design of Environmentally Sensitive Fluorescent Nucleosides and their Applications 137 Subhendu Sekhar Bag and Isao Saito 7.1 Introduction 137 7.1.1 Solvatochromic Fluorophores 138 7.1.2 Origin of Solvatochromism 139 7.2 Solvatochromic Fluorescent Nucleoside Analogs 140 7.2.1 Designing Criteria for Solvatochromic Fluorescent Nucleosides 140 7.3 Fluorescently Labeled Nucleosides and Oligonucleotide Probes: Covalent Attachment of Solvatochromic Fluorophores Onto the Natural Bases 141 7.3.1 Base-Discriminating Fluorescent Nucleosides (BDF) 142 7.4 Nucleosides with Dual Fluorescence for Monitoring DNA Hybridization 153 7.5 Approach for Developing Environmentally Sensitive Fluorescent (ESF) Nucleosides 154 7.5.1 Concept for Designing ESF Nucleosides 154 7.5.2 Examples and Photophysical Properties of ESF Nucleosides 156 7.6 Base-Selective Fluorescent ESF Probe 163 7.6.1 Cytosine Selective ESF Probe 163 7.6.2 Thymine Selective Fluorescent ESF Probe 163 7.6.3 Specific Detection of Adenine by Exciplex Formation with Donor-Substituted ESF Guanosine 165 7.7 Molecular Beacon (MB) and ESF Nucleosides 167 7.7.1 Ends-Free and Self-Quenched MB 167 7.7.2 Single-Stranded Molecular Beacon Using ESF Nucleoside in a Bulge Structure 168 7.8 Summary and Future Outlook 169 Acknowledgments 170 References 170 8 Expanding The Nucleic Acid Chemist’s Toolbox: Fluorescent Cytidine Analogs 174 Kirby Chicas and Robert H.E. Hudson 8.1 Introduction 174 8.2 Design and Characterization of Fluorescent C Analogs 176 8.2.1 1,3-Diaza-2-Oxophenothiazine (tC) 177 8.2.2 1,3-Diaza-2-Oxophenoxazine (tCO) 178 8.2.3 7-Nitro-1,3-Diaza-2-Oxophenothiazine (tCnitro) 179 8.2.4 G-Clamp and 8-oxoG-Clamp 179 8.2.5 Ç and Çf 181 8.2.6 Benzopyridopyrimidine (BPP) 182 8.2.7 Napthopyridopyrimidine (NPP) 183 8.2.8 dChpp 183 8.2.9 dChpd, dCmpp, dCtpp, dCppp 184 8.2.10 dCPPI 184 8.2.11 dxC 185 8.2.12 rxC 186 8.2.13 Methylpyrrolo-dC (MepdC) 186 8.2.14 5-(Fur-2-yl)-2′-Deoxycytidine (CFU) 187 8.2.15 Thiophen-2-yl pC 187 8.2.16 Thiophene Fused pC 188 8.2.17 Thieno[3,4-d]-Cytidine (thC) 189 8.2.18 Triazole Appended 190 8.3 Implementation 190 8.3.1 PNA 192 8.3.2 DNA 196 8.3.3 RNA 200 8.4 Conclusions 202 8.5 Prospects and Outlook 202 Acknowledgments 203 References 203 9 Synthesis and Fluorescence Properties of Nucleosides with Pyrimidopyrimidine-Type Base Moieties 208 Kohji Seio, Takashi Kanamori, Akihiro Ohkubo, and Mitsuo Sekine 9.1 Introduction 209 9.2 Discovery, Design, and Synthesis of Pyrimidopyrimidine Nucleosides 209 9.2.1 Synthesis and Fluorescence Properties of dChpp 209 9.2.2 Design, Synthesis, and Fluorescence Properties of dCPPP, dCPPI, and dCPPI Derivatives 212 9.2.3 Fluorescence Properties of the Oligonucleotides Containing dCPPI 213 9.3 Implementation 215 9.3.1 Application to a DNA Triplex System 215 9.3.2 Double Labeling of an Oligonucleotide with dCPPI and 2-Aminopurine 219 9.4 Conclusions 220 9.5 Prospects and Outlook 221 References 221 10 Förster Resonance Energy Transfer (FRET) Between Nucleobase Analogues – a Tool for Detailed Structure and Dynamics Investigations 224 L. Marcus Wilhelmsson 10.1 Introduction 224 10.2 The Tricyclic Cytosine Family 226 10.2.1 Structural Aspects, Dynamics, and Ability to Serve as Cytosine Analogs 228 10.2.2 Photophysical Properties 231 10.3 Development of the First Nucleic Acid Base Analog FRET Pair 234 10.3.1 The Donor–Acceptor Pair tCO –tCnitro 235 10.3.2 Applications of Tricyclic Cytosines in FRET Measurements 237 10.4 Conclusions 238 10.5 Prospects and Outlook 238 Acknowledgments 239 References 239 11 Fluorescent Purine Analogs that Shed Light on DNA Structure and Function 242 Anaëlle Dumas, Guillaume Mata, and Nathan W. Luedtke 11.1 Introduction 242 11.2 Design, Photophysical Properties, and Applications of Purine Mimics 244 11.2.1 Early Examples of Fluorescent Purine Mimics 245 11.2.2 Chromophore-Conjugated Purine Analogs 246 11.2.3 Pteridines 250 11.2.4 Isomorphic Purine Analogs 251 11.2.5 Fused-Ring Purine Analogs 252 11.2.6 Substituted Purine Derivatives 253 11.3 Implementation 258 11.3.1 Probing G-Quadruplex Structures with 2PyG 259 11.3.2 Energy Transfer Quantification 261 11.3.3 Metal-Ion Localization to N7 264 11.4 Conclusions 265 11.5 Prospects and Outlook 265 Appendix 268 References 268 12 Design and Photophysics of Environmentally Sensitive Isomorphic Fluorescent Nucleosides 276 Renatus W. Sinkeldam and Yitzhak Tor 12.1 Introduction 276 12.2 Designing Environmentally Sensitive Emissive Nucleosides 279 12.2.1 Structural and Electronic Elements that Impart Environmental Sensitivity 279 12.2.2 Sensitivity to Polarity 279 12.2.3 Sensitivity to Viscosity 281 12.2.4 Sensitivity to pH 282 12.3 Two Isomorphic Environmentally Sensitive Designs 282 12.4 Probing Environmental Sensitivity 283 12.4.1 Probing Sensitivity to Polarity 283 12.4.2 Probing Sensitivity to Viscosity 286 12.4.3 Probing Sensitivity to pH 288 12.5 Recent Advancements in Isomorphic Fluorescent Nucleoside Analogs 291 12.6 Summary 293 12.7 Prospects and Outlook 294 Acknowledgments 294 References 294 13 Site-Specific Fluorescent Labeling of Nucleic Acids by Genetic Alphabet Expansion Using Unnatural Base Pair Systems 297 Michiko Kimoto, Rie Yamashige, and Ichiro Hirao 13.1 Introduction 297 13.2 Development of Unnatural Base Pair Systems and Their Applications 299 13.2.1 Site-Specific Fluorescent Labeling of DNA by Unnatural Base Pair Replication Systems 301 13.2.2 Site-Specific Fluorescent Labeling of RNA by Unnatural Base Pair Transcription Systems 307 13.3 Implementation 310 13.3.1 Fluorescence Sensor System Using an RNA Aptamer by Fluorophore-Linked y Labeling 310 13.3.2 Local Structure Analyses of Functional RNA Molecules by s Labeling 313 13.4 Conclusions 315 13.5 Prospects and Outlook 316 Acknowledgments 317 References 317 14 Fluorescent C-Nucleosides and their Oligomeric Assemblies 320 Pete Crisalli and Eric T. Kool 14.1 Introduction 320 14.2 Design, Synthesis, Characterization, and Properties of Fluorescent C-Glycoside Monomers 322 14.2.1 Design of Fluorescent C-Glycoside Monomers 322 14.2.2 Synthesis of Fluorescent C-Glycoside Monomers 323 14.2.3 Characterization and Properties of Fluorescent C-glycoside Monomers 325 14.3 Implementation of Fluorescent C-Glycoside Monomers 327 14.3.1 Environmentally Sensitive Fluorophores 327 14.3.2 Pyrene Nucleoside in DNA Applications 330 14.4 Oligomers of Fluorescent C-Glycosides: Design, Synthesis, and Properties 335 14.4.1 Design of Fluorescent C-Glycoside Oligomers 335 14.4.2 Synthesis of Fluorescent C-Glycoside Oligomers 336 14.4.3 Characterization and Properties of Fluorescent C-Glycoside Oligomers 337 14.5 Implementation of Fluorescent C-Glycoside Oligomers 342 14.5.1 ODFs as Chemosensors in the Solution State 342 14.5.2 ODFs as Sensors in the Solid State 347 14.5.3 Alternative Designs of Oligomeric Fluorescent Glycosides 351 14.5.4 General Conclusions: Oligomers of Fluorescent C-glycosides 352 14.6 Conclusions 353 14.7 Prospects and Outlook 353 Acknowledgments 354 References 354 15 Membrane Fluorescent Probes: Insights and Perspectives 356 Amitabha Chattopadhyay, Sandeep Shrivastava, and Arunima Chaudhuri Abbreviations 356 15.1 Introduction 357 15.2 NBD-Labeled Lipids: Monitoring Slow Solvent Relaxation in Membranes 358 15.3 n-AS Membrane Probes: Depth-Dependent Solvent Relaxation as Membrane Dipstick 359 15.4 Pyrene: a Multiparameter Membrane Probe 362 15.5 Conclusion and Future Perspectives 362 Acknowledgments 364 References 364 16 Lipophilic Fluorescent Probes: Guides to the Complexity of Lipid Membranes 367 Marek Cebecauer and Radek Šachl 16.1 Introduction 367 16.2 Lipids, Lipid Bilayers, and Biomembranes 368 16.3 Lipid Phases, Phase Separation, and Lipid Ordering 370 16.4 Fluorescent Probes for Membrane Studies 370 16.4.1 Fluorescently Labeled Lipids 371 16.4.2 Environment-Sensitive Membrane Probes 373 16.4.3 Specialized Techniques Using Fluorescent Probes to Investigate Membrane Properties 380 16.5 Conclusions 386 16.6 Prospects and Outlook 386 Acknowledgments 386 References 387 17 Fluorescent Neurotransmitter Analogs 393 James N. Wilson 17.1 Introduction 393 17.1.1 Structure of Neurotransmitters 393 17.1.2 Regulation of Neurotransmitters 394 17.1.3 Native Fluorescence of Neurotransmitters 395 17.1.4 Fluorescent Histochemical Techniques 396 17.2 Design and Optical Properties of Fluorescent Neurotransmitters 397 17.2.1 Early Examples 397 17.2.2 Recent Examples 398 17.3 Applications of Fluorescent Neurotransmitters 400 17.3.1 Probing Binding Pockets with Fluorescent Neurotransmitters 400 17.3.2 Imaging Transport and Release of Fluorescent Neurotransmitters 401 17.3.3 Enzyme Substrates 403 17.4 Conclusions 404 17.5 Prospects and Outlook 405 Acknowledgments 405 References 406 Index 409

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Book SynopsisWith chapters contributed by the foremost social work scholars, this edited text highlights key social policy issues from both a domestic and international perspective. Its opening chapters introduce social welfare policy and its history, laying a framework for the more specialized chapters that follow.Table of ContentsPreface vii About the Editors x Contributors xi Chapter 1 Social Welfare Policy as a Form of Social Justice 1 Ira Colby Introduction 1 Social Welfare Policy Defined 5 The Relationship Between Justice Theory and Social Welfare Policy 6 Social Work Values and Policy 8 The Traditional Conceptual Framework of Social Welfare 9 Crafting Justice-Based Policy 12 Conclusion 15 Key Terms 16 Review Questions for Critical Thinking 16 Online Resources 17 References 17 Chapter 2 Reconceptualizing the Evolution of the American Welfare State 21 Bruce Jansson Introduction 21 Some Daunting Challenges Facing Historians of the American Welfare State 21 Nine Eras 28 Topics for Further Research 56 Where Next? 60 Key Terms 61 Review Questions for Critical Thinking 62 Online Resources 62 References 62 Chapter 3 Human Security and the Welfare of Societies 65 Jody Williams Introduction 65 The Need to Redefine Security for the 21st Century 68 Human Security: Its Fundamentals and Its Roots 70 Is There a Future for a Human Security Framework? 75 Conclusion 77 Key Terms 78 Review Questions for Critical Thinking 78 Online Resources 79 References 79 Chapter 4 Social Policy From a Global Perspective 81 Robin Sakina Mama Introduction 81 Globalization 82 Globalization as It Relates to Policy 86 Globalization and Ethics 87 Globalization, Policy, and Social Work Practice 88 Key Terms 89 Review Questions for Critical Thinking 89 Online Resources 89 References 90 Chapter 5 Social Justice for Marginalized and Disadvantaged Groups: Issues and Challenges for Social Policies in Asia 93 Joseph Kwok Introduction 93 Social Justice: An Asian Perspective 95 Social Justice and Social Harmony 96 Social Policy 98 An Asian Context on Social Policy and Social Justice 99 An Asian Perspective on Social Policy Development 101 Social Enterprise and Social Capital 107 Conclusion 112 Key Terms 113 Review Questions for Critical Thinking 113 Online Resources 113 References 114 Chapter 6 Welfare Reform: The Need for Social Empathy 117 Elizabeth A. Segal Introduction 117 A Brief History of Welfare Reform 119 Temporary Assistance for Needy Families 120 The Success of Welfare Reform 121 Who Receives Welfare? 122 Why Welfare Reform Has Failed 123 Inherent Contradictions in Welfare Reform 125 Values Conflicts 125 The Gap in Experiencing and Understanding Poverty 127 Social Empathy 128 Where Do We Go From Here? The Future of Welfare in America 130 Key Terms 131 Review Questions for Critical Thinking 131 Online Resources 131 References 131 Chapter 7 Not by the Numbers Alone: The Effects of Economic and Demographic Changes on Social Policy 135 Michael Reisch Introduction 135 Economic Globalization 136 Poverty, Inequality, and Unemployment 139 Demographic Changes: Racism and Immigration 145 Implications for Social Policy 150 Welfare Reform as a Policy Illustration 151 Conclusion 153 Key Terms 154 Review Questions for Critical Thinking 154 Online Resources 154 References 154 Chapter 8 The U.S. Patriot Act: Implications for the Social Work Profession 165 Stan Stojkovic Introduction 165 The U.S. Patriot Act: Significant Activities and a New System of Justice 167 The U.S. Patriot Act and the Social Work Profession 173 Conclusion 177 Key Terms 178 Review Questions for Critical Thinking 178 Online Resources 178 References 179 Chapter 9 Social Justice in a World of Anywhere Access? 181 Paul R. Raffoul Introduction 181 Globalization 183 Societal Acceptance and Utilization of Technology 184 Use of Social Media 184 Information Access and Authenticity 186 Ensuring Diversity and Cultural Differences 187 Influencing the Development of Social Policy 187 Unintended Consequences of Technology and Social Policy 188 A Look Ahead to the Year 2022 189 Key Terms 191 Review Questions for Critical Thinking 191 Online Resources 191 References 191 Author Index 193 Subject Index 197

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Book SynopsisWith their use in everyday electronics and their increased use in industry applications, lithium ion batteries are an important source of power. Covering the most cutting-edge advances and technology in lithium ion batteries, Lithium Batteries teaches readers how to develop the most efficient advanced rechargeable batteries.Table of ContentsCONTRIBUTORS vii PREFACE ix CHAPTER 1 ELECTROCHEMICAL CELLS: BASICS 1 Hubert Gasteiger, Katharina Krischer, and Bruno Scrosati CHAPTER 2 LITHIUM BATTERIES: FROM EARLY STAGES TO THE FUTURE 21 Bruno Scrosati CHAPTER 3 ADDITIVES IN ORGANIC ELECTROLYTES FOR LITHIUM BATTERIES 39 Susanne Wilken, Patrik Johansson, and Per Jacobsson CHAPTER 4 ELECTROLYTES FOR LITHIUM-ION BATTERIES WITH HIGH-VOLTAGE CATHODES 71 Mengqing Xu, Swapnil Dalavi, and Brett L. Lucht CHAPTER 5 CORE–SHELL STRUCTURE CATHODE MATERIALS FOR RECHARGEABLE LITHIUM BATTERIES 89 Seung-Taek Myung, Amine Khalil, and Yang-Kook Sun CHAPTER 6 PROBLEMS AND EXPECTANCY IN LITHIUM BATTERY TECHNOLOGIES 107 K. Kanamura CHAPTER 7 FLUORINE-BASED POLYANIONIC COMPOUNDS FOR HIGH-VOLTAGE ELECTRODE MATERIALS 127 P. Barpanda and J.-M. Tarascon CHAPTER 8 LITHIUM–AIR AND OTHER BATTERIES BEYOND LITHIUM-ION BATTERIES 161 K. M. Abraham CHAPTER 9 AQUEOUS LITHIUM–AIR SYSTEMS 191 Owen Crowther and Mark Salomon CHAPTER 10 POLYMER ELECTROLYTES FOR LITHIUM–AIR BATTERIES 217 Nobuyuki Imanishi and Osamu Yamamoto CHAPTER 11 KINETICS OF THE OXYGEN ELECTRODE IN LITHIUM–AIR CELLS 233 Michele Piana, Nikolaos Tsiouvaras, and Juan Herranz CHAPTER 12 LITHIUM-ION BATTERIES AND SUPERCAPACITORS FOR USE IN HYBRID ELECTRIC VEHICLES 265 Catia Arbizzani, Libero Damen, Mariachiara Lazzari, Francesca Soavi, and Marina Mastragostino CHAPTER 13 Li4Ti5O12 FOR HIGH-POWER, LONG-LIFE, AND SAFE LITHIUM-ION BATTERIES 277 Zonghai Chen, I. Belharouak, Yang-Kook Sun, and Khalil Amine CHAPTER 14 SAFE LITHIIUM RECHARGEABLE BATTERIES BASED ON IONIC LIQUIDS 291 A. Guerfi, A. Vijh, and K. Zaghib CHAPTER 15 ELECTROLYTIC SOLUTIONS FOR RECHARGEABLE MAGNESIUM BATTERIES 327 Y. Gofer, N. Pour, and D. Aurbach CHAPTER 16 RECHARGEABLE SODIUM AND SODIUM-ION BATTERIES 349 K. M. Abraham INDEX 369

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Book SynopsisServing as a user''s manual for synthetic organic and catalytic chemists, this book guides chemists in the design and choice of ligands to catalyze organic reactions and apply the results for more efficient, green, and practical synthesis. Focuses on the role of ligands in metal complexes that catalyze green organic transformations: a hot topic in the area of organic synthesis and green chemistry Offers a comprehensive resource to help readers design and choose ligands and understand selectivity/reactivity characteristics Addresses a gap by taking novel ligand approaches and including up-to-date discussion on hydrogen transfers and reactions Presents important industrial perspective and provides rational explanations of ligand effects, impacts, and noveltyTable of ContentsPreface ix Abbreviation xi Part I N-Heterocyclic Carbene Ligands in Transition Metal Catalyzed Hydrogen Transfer and Dehydrogenative Reactions 1 1 Oxidation and Hydrogenation Reactions Catalyzed by Transition Metal Complexes Bearing N-Heterocyclic Carbene Ligands 3 1.1 Introduction, 3 1.2 Oxidation of Alcohols Based on Hydrogen Transfer, 3 1.3 Oxidation of Alcohols Based on Dehydrogenation, 10 1.4 Hydrogenation and Transfer Hydrogenation of Carbon–Heteroatom Unsaturated Bonds, 12 1.5 Other Related Hydrogenative Reactions, 21 References, 25 2 Bond-Forming Reactions Catalyzed by Transition Metal Complexes Bearing N-Heterocyclic Carbene Ligands 27 2.1 Introduction, 27 2.2 Carbon–Carbon Bond Formation Based on Hydrogen Transfer, 27 2.3 Carbon–Nitrogen Bond Formation Based on Hydrogen Transfer and Dehydrogenation, 37 2.4 Carbon–Oxygen Bond Formation Based on Hydrogen Transfer and Dehydrogenation, 46 References, 52 Part ii η4-Cyclopentadienone/η5-Hydroxycyclopentadienyl and Related Ligands in Transition Metal Catalyzed Hydrogen Transfer and Dehydrogenative Reactions 55 3 Oxidation and Hydrogenation Catalyzed by Transition Metal Complexes Bearing η4-Cyclopentadienone/η5-Hydroxycyclopentadienyl and Related Ligands 57 3.1 Introduction, 57 3.2 Oxidation of Alcohol Based on Hydrogen Transfer and Dehydrogenation, 59 3.3 Oxidation of Amine Based on Hydrogen Transfer, 68 3.4 Hydrogenation and Transfer Hydrogenation of Carbonyl Compounds, 71 3.5 Hydrogenation and Transfer Hydrogenation of Imines and Related Compounds, 79 References, 84 4 Bond-Forming Reactions Catalyzed by Transition Metal Complexes Bearing η4-Cyclopentadienone/η5-Hydroxycyclopentadienyl and Related Ligands 87 4.1 Introduction, 87 4.2 Carbon–Nitrogen Bond-Forming Reactions Based on Hydrogen Transfer and Dehydrogenation, 88 4.3 Carbon–Oxygen Bond-Forming Reactions Based on Hydrogen Transfer and Dehydrogenation, 97 4.4 Carbon–Carbon Bond-Forming Reactions Based on Hydrogen Transfer and Dehydrogenation, 102 References, 105 Part iii Pincer Ligands in Transition Metal Catalyzed Hydrogen Transfer and Dehydrogenative Reactions 107 5 Dehydrogenation of Alkanes Catalyzed by Transition Metal Complexes Bearing Pincer Ligands 109 5.1 Introduction, 109 5.2 Conversion of Alkanes into Alkenes Based on Hydrogen Transfer, 109 5.3 Dehydroaromatization of Alkanes Based on Hydrogen Transfer, 115 5.4 Alkane Metathesis by Tandem Alkane Dehydrogenation and Alkene Metathesis, 118 5.5 Conversion of Alkanes into Alkenes Based on Dehydrogenation, 121 References, 126 6 Oxidation and Hydrogenation Reactions Catalyzed by Transition Metal Complexes Bearing Pincer Ligands 128 6.1 Introduction, 128 6.2 Oxidation of Alcohols Based on Hydrogen Transfer and Dehydrogenation, 128 6.3 Dehydrogenation of Amines, 137 6.4 Hydrogenation and Transfer Hydrogenation of Carbon–Heteroatom Unsaturated Bonds, 141 References, 157 7 Bond-Forming Reactions Catalyzed by Transition Metal Complexes Bearing Pincer Ligands 159 7.1 Introduction, 159 7.2 Carbon–Carbon Bond Formation Based on Hydrogen Transfer, 159 7.3 Carbon–Nitrogen Bond Formation Based on Hydrogen Transfer and Dehydrogenation, 161 7.4 Carbon–Oxygen Bond Formation Based on Hydrogen Transfer and Dehydrogenation, 173 References, 182 Part iv Bidentate and Miscellaneous Ligands in Transition Metal Catalyzed Hydrogen Transfer and Dehydrogenative Reactions 183 8 Oxidation and Dehydrogenation of Alcohols and Amines Catalyzed by Well-Defined Transition Metal Complexes Bearing Bidentate and Miscellaneous Ligands 185 8.1 Introduction, 185 8.2 Oxidation of Alcohols Based on Hydrogen Transfer with Oxidant, 185 8.3 Dehydrogenative Oxidation of Alcohols without Oxidant, 209 8.4 Oxidation of Amines Based on Hydrogen Transfer and Dehydrogenation, 220 References, 224 9 Hydrogenation and Transfer Hydrogenation of Carbon–Heteroatom Unsaturated Bonds Catalyzed by Well-Defined Transition Metal Complexes Bearing Bidentate and Miscellaneous Ligands 228 9.1 Introduction, 228 9.2 Hydrogenation and Transfer Hydrogenation of Carbonyl and Related Compounds, 229 9.3 Hydrogenation and Transfer Hydrogenation of Imines and Related Compounds, 263 References, 274 10 Bond-Forming Reactions Based on Hydrogen Transfer Catalyzed by Well-Defined Transition Metal Complexes Bearing Bidentate and Miscellaneous Ligands 278 10.1 Introduction, 278 10.2 Carbon–Carbon Bond-Forming Reactions Based on Hydrogen Transfer, 279 10.3 Carbon–Nitrogen Bond-Forming Reactions Based on Hydrogen Transfer, 296 10.4 Carbon–Oxygen Bond-Forming Reactions Based on Hydrogen Transfer, 321 References, 330 Index 335

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Book SynopsisThis book provides a comprehensive overview of oil spill remediation from the perspectives of policy makers, scientists, and engineers, generally focusing on colloid chemistry phenomena and solutions involved in oil spills and their cleanup. First book to address oil spill remediation from the perspective of physicochemical and colloidal science Discusses current and emerging detergents used in clean-ups Includes chapters from leading scientists, researchers, engineers, and policy makers Presents new insights into the possible impact of oil spills on ecosystems as well as preventive measuresTable of ContentsForeword vii Preface ix Contributors xi 1 Science-Based Decision Making on the Use of Dispersants in the Deepwater Horizon Oil Spill 1 Albert D. Venosa, Paul T. Anastas, Mace G. Barron, Robyn N. Conmy, Marc S. Greenberg, and Gregory J. Wilson 2 Understanding and Properly Interpreting the 2010 Deepwater Horizon Blowout 19 Sean S. Anderson, Charles H. Peterson, Gary Cherr, Richard Ambrose, Shelly Anghera, Steve Bay, Michael J. Blum, Rob Condon, Thomas Dean, William (Monty) Graham, Michael Guzy, Stephanie Hampton, Samantha Joye, John Lambrinos, Bruce Mate, Douglas Meffert, Sean Powers, Ponisseril Somasundaran, Robert Spies, Caz Taylor, and Ronald Tjeerdema by Nceas Gulf Oil Spill Ecotox Working Group 3 Remediation and Restoration of Northern Gulf of Mexico Coastal Ecosystems Following the Deepwater Horizon Event 59 Michael J. Blum, Brittany M. Bernik, Thomas Azwell, and Eric M.V. Hoek 4 Challenges in and Approaches to Modeling the Complexities of Deepwater Oil and Gas Release 89 Rupesh K. Reddy, A. Rao, Z. Yu, C. Wu, K. Nandakumar, L. Thibodeaux, and Kalliat T. Valsaraj 5 Oil Films: Some Basic Concepts 127 Johan Sjöblom and Sébastien Simon 6 Remediating Oilfield Waste and Spills 161 Raymond S. Farinato 7 Multipronged Approach for Oil Spill Remediation 175 Partha Patra and Ponisseril Somasundaran 8 Packed-Bed Capillary Microscopy on BP-Oil-Spill Oil in Porous Media 189 Peixi Zhu, Qing Wang, Yuly A. Jaimes-Lizcano, and Kyriakos Papadopoulos 9 Jameson Cell Technology for Organics Recovery 221 Graeme J. Jameson 10 Development of Gelling Agent for Spilled Oils 231 Kazutami Sakamoto 11 Microstructures of Capped Ethylene Oxide Oligomers in Water and n-Hexane 247 Mangesh I. Chaudhari and Lawrence R. Pratt 12 Some Colloidal Fundamentals in Oil Spill Remediation: The Water/Surfactant/Hydrocarbon Combination 259 S. E. Friberg, H. Hasinovic, and Pi Belobrov 13 Physicochemical Properties of Heavy Oil–Water Interface in the Context of Oil Removal from Seawater by Froth Flotation 279 Louxiang Wang, Meghan Curran, Meijiao Deng, Qingxia Liu, Zhenghe Xu, and Jacob Masliyah 14 Measurement of Interfacial Tension in Hydrocarbon/Water/Dispersant Systems at Deepwater Conditions 295 Mohamed A. Abdelrahim and Dandina N. Rao 15 Surfactant Technologies for Remediation of Oil Spills 317 Edgar J. Acosta and Suniya Quraishi 16 Role of Structural Forces in Cleaning Soiled Surfaces 359 Darsh Wasan, Alex Nikolov, and Gopi Sethumadhavan Index 371

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