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Book SynopsisHuman exposure to aerosols, through inhalation or in working or ambient environments, may lead to a wide range of adverse health effects, including lung disease and other conditions resulting from toxic materials in the body.Trade Review"…this book may help in the rapid access to data and references. It is therefore complementary to the great books and reviews…" (International Journal of Environmental and Analytical Chemistry, October 2007)"Wer sich mit Aerosolen in Forschung und Praxis beschaftigt, sollte dieses hervorragende Buch nicht unbeachtet lassen." Gefahrstoffe Reinhaltung der Luft April 2008Table of ContentsPreface xvii A SCIENTIFIC FRAMEWORK FOR AEROSOL SAMPLING 1 1 Introduction 3 1.1 Aerosols 3 1.2 Particle size 4 1.3 Elementary particle size statistics 5 1.4 Aerosol measurement 8 1.5 Sampler performance characteristics 9 References 12 2 Fluid and aerosol mechanical background 13 2.1 Fluid mechanical background 13 2.2 Aerosol mechanics 22 References 33 3 Experimental methods in aerosol sampler studies 35 3.1 Introduction 35 3.2 Methodology for assessing sampler performance 35 3.3 Scaling relationships for aerosol samplers 38 3.4 Test facilities 39 3.5 Test aerosol generation 50 3.6 Reference methods 60 3.7 Assessment of collected aerosol 60 3.8 Aerosol sampler test protocols and procedures 61 References 68 4 The nature of air flow near aerosol samplers 71 4.1 Introduction 71 4.2 Line and point sink samplers 71 4.3 Thin-walled slot and tube entries 73 4.4 Thick-walled tubes 75 4.5 Simple blunt samplers facing the wind 76 4.6 Blunt samplers with orientations other than facing the wind 82 4.7 More complex sampling systems 89 4.8 Effects of freestream turbulence 90 References 90 5 Aerosol aspiration in moving air 93 5.1 Introduction 93 5.2 Thin-walled tube samplers 94 5.3 Blunt samplers 116 References 127 6 Aspiration in calm and slowly moving air 131 6.1 Introduction 131 6.2 Sampling in perfectly calm air 131 6.3 Slowly moving air 149 References 155 7 Interferences to aerosol sampling 157 7.1 Introduction 157 7.2 Interferences during aspiration 157 7.3 Interferences after aspiration 173 References 188 8 Options for aerosol particle size selection after aspiration 193 8.1 Introduction 193 8.2 Elutriation 194 8.3 Filtration by porous foam media 197 8.4 Centrifugation 201 8.5 Impaction 205 8.6 Diffusion 211 8.7 Other particle size-selective mechanisms 213 References 215 B STANDARDS FOR AEROSOLS 219 9 Framework for aerosol sampling in working, living and ambient environments 221 9.1 Introduction 221 9.2 Exposure to aerosols 222 9.3 Framework for health-related aerosol sampling 227 9.4 Non-health-related aerosol standards 233 References 235 10 Particle size-selective criteria for coarse aerosol fractions 237 10.1 Introduction 237 10.2 Experimental studies of inhalability 237 10.3 Particle size-selective criteria for the inhalable fraction 247 10.4 Overview 252 References 253 11 Particle size-selective criteria for fine aerosol fractions 255 11.1 Introduction 255 11.2 Studies of regional deposition of inhaled aerosols 255 11.3 Criteria for fine aerosol fractions 268 11.4 Overview 282 References 285 12 Health effects and Limit values 289 12.1 Introduction 289 12.2 Aerosol-related health effects 289 12.3 The processes of standards setting 292 12.4 Occupational exposure limits (OELs) 292 12.5 Ambient atmospheric aerosol limits 297 12.6 Special cases 301 References 305 C AEROSOL SAMPLING INSTRUMENTATION 309 13 Historical milestones in practical aerosol sampling 311 13.1 Introduction 311 13.2 Occupational aerosol sampling 312 13.3 Ambient atmospheric aerosol sampling 319 References 323 14 Sampling for coarse aerosols in workplaces 327 14.1 Introduction 327 14.2 Static (or area) samplers for coarse aerosol fractions 327 14.3 Personal samplers for coarse aerosol fractions 333 14.4 Analysis of performance data for inhalable aerosol samplers 352 14.5 Passive aerosol samplers 354 References 356 15 Sampling for fine aerosol fractions in workplaces 359 15.1 Introduction 359 15.2 Samplers for the respirable fraction 359 15.3 Samplers for the thoracic fraction 385 15.4 Samplers for PM2.5 391 15.5 Thoracic particle size selection for fibrous aerosols 393 15.6 Sampling for very fine aerosols 394 15.7 Simultaneous sampling for more than one aerosol fraction 395 References 398 16 Sampling in stacks and ducts 403 16.1 Introduction 403 16.2 Basic considerations 403 16.3 Stack sampling methods 404 16.4 Sampling probes for stack sampling 410 16.5 Sampling for determining particle size distribution in stacks 414 16.6 Direct-reading stack-monitoring instruments 415 References 415 17 Sampling for aerosols in the ambient atmosphere 417 17.1 Introduction 417 17.2 Sampling for coarse ‘nuisance’ aerosols 417 17.3 Sampling for ‘black smoke’ 423 17.4 Sampling for total suspended particulate in the ambient atmosphere 425 17.5 Sampling for fine aerosol fractions in the ambient atmosphere 432 17.6 Meteorological sampling 440 References 442 18 Sampling for the determination of particle size distribution 447 18.1 Introduction 447 18.2 Rationale 447 18.3 Aerosol spectrometers 448 18.4 Cascade impactors 452 18.5 Other spectrometers 465 18.6 Particle size distribution analysis by microscopy 469 References 470 19 Sampling for bioaerosols 473 19.1 Introduction 473 19.2 Standards for bioaerosols 474 19.3 Technical issues for bioaerosol sampling 474 19.4 Early bioaerosol sampling 476 19.5 Criteria for bioaerosol sampling 477 19.6 Inertial samplers 477 19.7 Centrifugal samplers 485 19.8 ‘Total’ and inhalable bioaerosol 486 19.9 Other samplers 486 References 486 20 Direct-reading aerosol sampling instruments 489 20.1 Introduction 489 20.2 Optical aerosol-measuring instruments 490 20.3 Electrical particle measurement 503 20.4 Condensation nuclei/particle counters 504 20.5 Mechanical aerosol mass measurement 505 20.6 Nuclear mass detectors 509 20.7 Surface area monitoring 510 20.8 Analytical chemical methods 511 20.9 Bioaerosol monitoring 511 References 513 D AEROSOL SAMPLE APPLICATIONS AND FIELD STUDIES 517 21 Pumps and paraphernalia 519 21.1 Introduction 519 21.2 Air moving systems 519 21.3 Flow rate 524 21.4 Collection media 526 21.5 Analysis of collected samples 533 References 535 22 Field experience with aerosol samplers in workplaces 537 22.1 Introduction 537 22.2 Personal and static (or area) sampling 538 22.3 Relationship between ‘total’ and inhalable aerosol 539 22.4 Converting particle counts to particle mass 549 22.5 Field experience with samplers for respirable aerosol 558 22.6 Classification of workplace aerosols 562 22.7 Diesel particulate matter 568 22.8 The future of workplace aerosol measurement 569 References 570 23 Field experience with aerosol samplers in the ambient atmosphere 575 23.1 Introduction 575 23.2 ‘Nuisance’ dust 576 23.3 Total suspended particulate and black smoke 577 23.4 Black smoke and particle size fractions (PM10 and PM2.5) 580 23.5 Transition to particle size-selective sampling 582 23.6 PM10 585 23.7 PM2.5 589 23.8 Personal exposures to PM10 and PM2.5 589 23.9 Classification of ambient atmospheric aerosols 593 References 596 Index 599

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Book SynopsisThis book presents an overview of the chemistry, geology, toxicology and environmental impacts of arsenic, presenting information on relatively common arsenic minerals and their key properties. In addition, it includes discussions on the environmental impacts of the release of arsenic from mining and coal combustion. Although the environmental regulations of different nations vary and change over time, prominent International, North American, and European guidelines and regulations on arsenic will be reviewed. Includes information on recent environmental catastrophes (e.g. Bangladesh and China) A thorough discussion of the arsenic cycle, including the cosmological origin of arsenic Includes Appendices providing extensive glossary and measurement conversion tables Table of ContentsList of contributors xv Preface xvii 1. Introduction 1 Kevin R. Henke 1.1 Arsenic origin, chemistry, and use 1 1.2 Arsenic environmental impacts 2 1.3 Arsenic toxicity 3 1.4 Arsenic treatment and remediation 3 1.4.1 Introduction 3 1.4.2 Treatment and remediation of water 4 1.4.3 Treatment and remediation of solid wastes, soils, and sediments 4 1.4.4 Treatment of flue gases 5 References 5 2. Arsenic Chemistry 9 Kevin R. Henke and Aaron Hutchison 2.1 Introduction 9 2.2 Atomic structure and isotopes of arsenic 9 2.3 Arsenic valence state and bonding 10 2.4 Chemistry of arsenic solids 13 2.4.1 Elemental arsenic 13 2.4.2 Common arsenic minerals and other solid arsenic compounds 15 2.4.3 Arsine and other volatile arsenic compounds 24 2.4.4 Organoarsenicals 24 2.5 Introduction to arsenic oxidation and reduction 26 2.5.1 Arsenic oxidation 26 2.5.2 Arsenic reduction 27 2.6 Introduction to arsenic methylation and demethylation 28 2.7 Arsenic in water 30 2.7.1 Introduction 30 2.7.2 Aqueous solubility of arsenic compounds and thermodynamics 31 2.7.3 Dissolved arsenic species 40 2.7.4 Dissociation of arsenious and arsenic acids 42 2.7.5 Eh-pH diagrams, and their limitations 45 2.7.6 Sorption, ion exchange, precipitation, and coprecipitation of arsenic in water 46 2.8 Chemistry of gaseous arsenic emissions 57 References 59 3 Arsenic in Natural Environments 69 Kevin R. Henke 3.1 Introduction 69 3.2 Nucleosynthesis: the origin of arsenic 70 3.2.1 The Big Bang 70 3.2.2 Arsenic formation in stars 70 3.3 Arsenic in the universe as a whole 73 3.4 Arsenic chemistry of the solar system 73 3.4.1 Arsenic in the Sun, Moon, and planets 73 3.4.2 Arsenic in meteorites and tektites 74 3.5 Arsenic in the bulk Earth, crusts, and interior 77 3.5.1 Estimating arsenic concentrations of the bulk Earth and the Earth’s core and mantle 77 3.5.2 The core 78 3.5.3 The mantle 78 3.5.4 The Earth’s crusts 79 3.6 Arsenic in hydrothermal and geothermal fluids and their deposits 82 3.6.1 Introduction 82 3.6.2 Origins of hydrothermal fluids and their arsenic 83 3.6.3 Arsenic chemistry of hydrothermal fluids 85 3.6.4 Arsenic mineralogy of hydrothermal deposits 91 3.6.5 Surface and near-surface oxidation of hydrothermal arsenic 93 3.6.6 Arsenic chemistry in hot springs 94 3.6.7 Arsenic in geothermal power plant scales 95 3.6.8 Arsenic in volcanic gas emissions 96 3.6.9 Environmental impacts of arsenic in hydrothermal and geothermal fluids 96 3.7 Oxidation of arsenic-bearing sulfides in geologic materials and mining wastes 97 3.7.1 Oxidation of sulfide minerals 97 3.7.2 Factors influencing the oxidation of arsenic-bearing sulfide minerals 97 3.7.3 Environmental consequences of sulfide and arsenic oxidation 99 3.7.4 Oxidation chemistry of major arsenic-bearing sulfides 102 3.8 Interactions between arsenic and natural organic matter (NOM) 106 3.9 Sorption and coprecipitation of arsenic with iron and other (oxy)(hydr)oxides 106 3.9.1 Introduction 106 3.9.2 Iron, aluminum, and manganese (oxy)(hydr)oxides 107 3.9.3 Sulfate (oxy)(hydr)oxides and related compounds 108 3.10 Arsenate (inorganic As(V)) precipitation 110 3.11 Reductive dissolution of iron and manganese (oxy)(hydr)oxides 110 3.12 Arsenic and sulfide at < 50 ◦c 114 3.13 Arsenic and its chemistry in mined materials 115 3.13.1 Environmental issues with arsenic-bearing sulfide minerals in coal and ore deposits 115 3.13.2 Behavior of arsenic within mining wastes 115 3.13.3 Movement of arsenic from mining wastes and into the environment 116 3.14 Marine waters and sediments 117 3.14.1 Inorganic arsenic in seawater 117 3.14.2 Marine arsenic cycle 120 3.14.3 Arsenic methylation in marine environments 121 3.14.4 Arsenic in marine sediments 121 3.15 Estuaries 122 3.15.1 Arsenic in estuaries 122 3.15.2 Seasonal effects on arsenic in estuaries 125 3.15.3 Arsenic in pristine estuaries 125 3.15.4 Arsenic in contaminated estuaries 126 3.16 Rivers and other streams 127 3.17 Lakes 136 3.18 Wetlands 145 3.19 Groundwater 146 3.19.1 Subsurface water and groundwater 146 3.19.2 Impacts of arsenic contamination in shallow (< 1 km deep) groundwaters 148 3.19.3 ‘Dissolved’ and particulate arsenic in groundwater 148 3.19.4 Arsenic mobility in groundwater 148 3.19.5 Sources of arsenic contamination in groundwater 149 3.19.6 Arsenic chemistry in groundwater 161 3.20 Glacial ice and related sediments 162 3.21 Arsenic in air and wind-blown sediments 163 3.21.1 Arsenic emission sources 163 3.21.2 Arsenic atmospheric chemistry 165 3.21.3 Arsenic in precipitation 166 3.21.4 Arsenic in atmospheric dust 166 3.21.5 Arsenic in wind-blown sediment deposits (loess) 168 3.21.6 Arsenic in soil and sediment gases 168 3.22 Petroleum 168 3.23 Soils 169 3.23.1 Distinguishing between soils and sediments 169 3.23.2 Arsenic chemistry in soils 171 3.23.3 Soil porewater chemistry 178 3.24 Sedimentary rocks 178 3.24.1 Diagenesis and sedimentary rocks 178 3.24.2 Coal 180 3.24.3 Shales and oil shales 190 3.24.4 Other sedimentary rocks 195 3.25 Metamorphic rocks 196 References 198 Further reading 235 4 Toxicology and Epidemiology of Arsenic and its Compounds 237 Michael F. Hughes, David J. Thomas, and Elaina M. Kenyon 4.1 Introduction 237 4.2 Physical and chemical properties of arsenic 238 4.3 Exposure to arsenic 238 4.4 Arsenic disposition and biotransformation in mammals 240 4.4.1 Introduction 240 4.4.2 Respiratory deposition and absorption 240 4.4.3 Gastrointestinal absorption 241 4.4.4 Dermal absorption 242 4.5 Systemic clearance of arsenic and binding to blood components 243 4.6 Tissue distribution 244 4.7 Placental transfer and distribution in the fetus 246 4.8 Arsenic biotransformation 247 4.8.1 Introduction 247 4.8.2 Arsenic methylation in humans and other mammals 248 4.8.3 Significance of arsenic methylation 248 4.8.4 Molecular basis of the metabolism of inorganic arsenic 248 4.8.5 Reconciling experimental data and the Challenger scheme 251 4.9 Arsenic excretion 252 4.10 Effects of arsenic exposure 253 4.10.1 Acute exposure 253 4.10.2 Chronic exposure 254 4.11 Cardiovascular 254 4.11.1 Introduction 254 4.11.2 Peripheral vascular disease 255 4.11.3 Ischemic heart disease 255 4.11.4 Cerebrovascular disease 255 4.11.5 Atherosclerosis 255 4.11.6 Hypertension 256 4.12 Endocrine 256 4.13 Hepatic 257 4.14 Neurological 257 4.15 Skin 257 4.16 Developmental 258 4.17 Other organ systems 258 4.18 Cancer 259 4.18.1 Introduction 259 4.18.2 Skin 259 4.18.3 Lung 260 4.18.4 Bladder 260 4.19 Animal models for arsenic-induced cancer 260 4.20 Mechanism of action 261 4.20.1 Introduction 261 4.20.2 Replacement of phosphate 262 4.20.3 Enzyme inhibition 262 4.20.4 Oxidative stress 262 4.20.5 Genotoxicity 263 4.20.6 Alteration of DNA repair 263 4.20.7 Signal transduction 263 4.20.8 Gene transcription 263 4.20.9 DNA methylation 264 4.20.10 Growth factors 264 4.21 Regulation of arsenic 264 References 265 5 Arsenic in Human History and Modern Societies 277 Kevin R. Henke and David A. Atwood 5.1 Introduction 277 5.2 Early recognition and uses of arsenic by humans 278 5.3 Alchemy, development of methods to recover elemental arsenic, and the synthesis of arsenic compounds 279 5.4 Applications with arsenic 279 5.4.1 Medicinal applications: dangerous quackery and some important drugs 279 5.4.2 Pesticides and agricultural applications 280 5.4.3 Chemical weapons 282 5.4.4 Embalming fluids 282 5.4.5 Paints and dyes 283 5.4.6 Wood treatment 284 5.4.7 Semiconductors 286 5.5 Increasing health, safety, and environmental concerns 286 5.6 Arsenic in crime 287 5.7 Poisoning controversies: Napoleon Bonaparte 288 5.8 Arsenic in prospecting, mining, and markets 289 5.8.1 Arsenic as a pathfinder element in prospecting 289 5.8.2 Arsenic mining, production, and market trends 290 5.9 Arsenic in coal and oil shale utilization and their by-products 291 5.9.1 Coal cleaning and combustion 291 5.9.2 Arsenic behavior during combustion 291 5.9.3 Postcombustion flue gas treatment 295 5.9.4 Arsenic chemistry in coal combustion byproducts 295 5.9.5 Coal gasification 296 5.9.6 Oil shale utilization 296 References 297 6 Major Occurrences of Elevated Arsenic in Groundwater and Other Natural Waters 303 Abhijit Mukherjee, Alan E. Fryar, and Bethany M. O’Shea 6.1 Introduction 303 6.2 Arsenic speciation and mobility in natural waters 304 6.3 Immobilization of arsenic in hydrologic systems 304 6.3.1 Precipitation, coprecipitation, and association with sulfides 304 6.3.2 Arsenic sorption on metal (oxy)(hydr)oxides 305 6.3.3 Arsenic sorption on clay minerals 306 6.3.4 Carbonate interactions 306 6.4 Mobilization of arsenic in water 309 6.4.1 Competitive anion exchange 309 6.4.2 Effect of natural organic matter (NOM) 310 6.4.3 Effect of pH 310 6.4.4 Redox-dependent mobilization 311 6.4.5 Complex and colloid formation 311 6.5 Natural occurrences of elevated arsenic around the world 313 6.5.1 Introduction 313 6.5.2 Bengal basin, India and Bangladesh 317 6.5.3 Middle Ganges Plain, India 324 6.5.4 Donargarh rift belt, Chattisgarh, central India 326 6.5.5 Terai alluvial plain, Nepal 326 6.5.6 Indus alluvial system, Pakistan 327 6.5.7 Irrawaddy delta, Myanmar 328 6.5.8 Mekong plain and delta, Cambodia, Vietnam, and Laos 328 6.5.9 Red River delta, Vietnam 331 6.5.10 Yellow River plains, Inner Mongolia, China 332 6.5.11 Taiwan 333 6.5.12 Coastal aquifers of Australia 334 6.5.13 Sedimentary basins and basement complexes of West Africa 334 6.5.14 Western USA 335 6.5.15 New England, USA 336 6.5.16 Northern Chile 337 6.5.17 Chaco and Pampa plains of Argentina 338 References 339 7 Waste Treatment and Remediation Technologies for Arsenic 351 Kevin R. Henke 7.1 Introduction 351 7.2 Treatment technologies for arsenic in water 352 7.2.1 Introduction 352 7.2.2 Preoxidation of As(III) in water 353 7.2.3 Sorption and ion-exchange technologies 357 7.2.4 Precipitation/coprecipitation 390 7.2.5 Permeable reactive barriers 394 7.2.6 Filtration, membranes, and other separation technologies 395 7.2.7 Biological treatment and bioremediation 398 7.2.8 Natural remediation 401 7.3 Treatment technologies for arsenic in solids 401 7.3.1 Introduction 401 7.3.2 Review of various treatment technologies for arsenic in inorganic solids 402 7.3.3 Review of various treatment technologies for chromated copper arsenate (CCA)-treated wood 410 7.4 Treatment technologies for arsenic in gases 414 References 415 Appendices A Common Physical and Chemical Constants and Conversions for Units of Measure 431 B Glossary of Terms 437 B. 1 Introduction 437 B. 2 Glossary 437 References 472 C Arsenic Thermodynamic Data 475 C. 1 Introduction 475 C. 2 Modeling applications with thermodynamic data 493 C. 3 Thermodynamic data 493 References 493 D Locations of Significant Arsenic Contamination 495 References 524 E Regulation of Arsenic: A Brief Survey and Bibliography 545 E. 1 Introduction 545 E. 2 Regulation of arsenic in water 545 E.2. 1 Drinking water 546 E. 2 Arsenic standards of natural surface waters and groundwaters 549 E. 3 Regulation of arsenic in solid and liquid wastes 549 E.3. 1 Bangladesh 549 E.3. 2 European Union (EU) 550 E. 3 Japan 550 E.3. 4 Norway 550 E.3. 5 Taiwan 550 E.3. 6 United States of America 550 E. 4 Sediment and soil guidelines and standards for arsenic 553 E.4. 1 Introduction 553 E.4. 2 Australia 553 E.4. 3 Canada 553 E. 4 European Union 554 E.4. 5 Italy 554 E.4. 6 Japan 554 E.4. 7 Korea (South) 554 E.4. 8 Thailand 554 E.4. 9 United States of America 554 E. 5 Regulation of arsenic in food and drugs 555 E.5. 1 Australia and New Zealand 555 E.5. 2 Canada 555 E.5. 3 United States of America 555 E. 6 Regulation of arsenic in air 556 E.6. 1 European Union 556 E.6. 2 United States of America 556 References 556 Index 559

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Book SynopsisEasy to navigate and ideal as a first-point reference, Dictionary of Mass Spectrometry includes over 1,000 technical terms to help beginners and experienced scientists alike understand technical terms and instrument schematics. Illustrated with over 400 colors images, this reference book includes new and current names and abbreviations.Trade Review"In summary, a slim volume packed with readable, informative scientific insights into wide ranging technologies from masters of the subject - a real gem!" (Chemistry World, June 2010) "This slim and attractively produced volume contains explanations for more than 800 new and commonly used technical terms and acronyms in the field of mass spectrometry, which are accompanied by over 400 illustrations, diagrams, and photographs. It is aimed at both newcomers and experienced practitioners in the field and is extensively cross-referenced, where appropriate." (JACS, 2010) "In summary, a slim volume packed with readable, informative scientific insights into wide-ranging technologies from masters of the subject - a real gem!" (RSC, June 2010)Table of ContentsPreface vi Sponsors vii Acronyms 1 Dictionary Entries 5 Suggested Reading 170 Sponsor Information 172

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Book SynopsisPractical, not theoretical, Instrumentation Analysis: A Guide to Laboratory, Portable and Miniaturized Instruments covers the principles of analytical instrumentation used by today's chemists and biologists and presents important advances in instrumentation, such as the drive to miniaturize lab-on-a-chip devices.Trade Review“At the same time, I would like to note the uniqueness of the monograph for the coverage of the main directions of analytical instrument making and in the clear and intelligible presentation of the material. This text can useful for students, graduate students, and experts working in both the development of new methods of analysis and in applied analytics.” (Journal of Analytical Chemistry, 2011) "…the figures presented in the work offer a thorough insight into the instrumentation currently available, including the theoretical models, internal components, and full external instrument. The level of detail presented will be useful for students." (CHOICE, May 2008)Table of ContentsForeword. Preface. Acknowledgements. Acronyms and Abbreviations. 1. Introduction. 1.1 The Analytical Scientist. 1.2 The Analytical Process. 1.3 Analytical Instrumentation. 1.4 Choosing the Right Instrument. References. SECTION I. LABORATORY ANALYTICAL INSTRUMENTATION. 2. Spectrometric Instruments. 2.1 Molecular Spectrometry. 2.1.1 Ultraviolet, Visible and Near Infrared. 2.1.2 Infrared and Raman. 2.1.3 Luminescence. 2.1.4 Nuclear Magnetic Resonance. 2.1.5 Mass Spectrometry. 2.2 Atomic Spectrometry. 2.2.1 Atomic Absorption Spectrometry and Atomic Fluorescence Spectrometry. 2.2.2 Inductively Coupled Plasma–Optical Emission Spectrometry. 2.2.3 Inductively Coupled Plasma–Mass Spectrometry. References. 3. Separation Instruments. 3.1 Gas Chromatography. 3.2 High Performance Liquid Chromatography. 3.3 Ion Chromatography. 3.4 Capillary Electrophoresis. 3.5 Supercritical Fluid Chromatography. 3.6 Hyphenated (Hybrid) Instruments. 3.6.1 Hyphenated Gas Chromatography Techniques. 3.6.2 Hyphenated Liquid Chromatography Techniques. 3.6.3 Hyphenated Capillary Electrophoresis Techniques. References. 4. Imaging Instruments. 4.1 Optical Microscopy. 4.2 Confocal Microscopy. 4.3 Electron Microscopy. 4.3.1 Scanning Electron Microscopy. 4.3.2 Transmission Electron Microscopy. 4.4 Scanning Probe Microscopy. 4.4.1 Scanning Tunnelling Microscopy. 4.4.2 Atomic Force Microscopy. 4.5 Spectral Imaging. References. 5. Electrochemical Instruments. 5.1 Potentiometry. 5.2 Voltammetry. 5.3 Conductimetry. References. 6. Other Instruments. 6.1 Thermogravimetric Analysis. 6.2 Differential Scanning Calorimetry. 6.3 X-ray Diffraction. References. SECTION II. PORTABLE ANALYTICAL INSTRUMENTATION. The Drive for Portable Analytical Instruments. 7. Portable Instruments in the Laboratory. 7.1 Spectrometric Instruments. 7.2 Separation Instruments. 7.3 Imaging Instruments. 7.4 Electrochemical Instruments. References. 8. Portable Instruments in Various Applications. 8.1 Medical Applications. 8.1.1 Point-of-Care Technology. 8.1.2 Blood Glucose Testing. 8.1.3 Blood Coagulation Monitoring. 8.1.4 Other Point-of-Care Devices. 8.2 Environmental Applications. 8.2.1 Field Devices. 8.2.2 Water Quality Monitoring. 8.2.3 Soil and Sediment Testing. 8.2.4 Air Monitoring. 8.3 Security and Defence Applications. 8.4 Other Applications. References. SECTION III. PROCESS ANALYTICAL INSTRUMENTATION. The Drive for Process Analysis. References. 9. Process Analytical Instrumentation in Industry. 9.1 In-Process Sampling. 9.2 In-Process Analysis. 9.2.1 Flow Injection Analysis. 9.2.2 Spectroscopic Analysis. 9.2.3 Separation Analysis. 9.2.4 Imaging Analysis. 9.2.5 Electrochemical Analysis. 9.3 Laboratory Integrated Management Systems. References. SECTION IV. MINIATURISED ANALYTICAL INSTRUMENTATION. The Drive for Miniaturised Analytical Instrumentation. References. 10. Chip-based Instrumentation. 10.1 The Development of Chip-based Analytical Devices. 10.2 Challenges for Chip-based Analytical Devices. 10.2.1 Moving and Mixing Fluids on a Chip. 10.2.2 Fitting Components onto a Chip. 10.2.3 Sampling and Detection Strategies. 10.2.4 Understanding Processes on the Microscale. 10.3 Chip-based Analytical Instruments. 10.3.1 Lab-on-valve Flow Injection Analysis. 10.3.2 Spectroscopic Devices. 10.3.3 Separation Devices. 10.3.4 Imaging Devices. 10.3.5 Electrochemical Devices. 10.3.6 Other Chip-based Devices. References. Index.

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Book SynopsisOrganic Chemistry of Explosives is the first text to bring together the essential methods and routes used for the synthesis of organic explosives in a single volume. Assuming no prior knowledge, the book discusses everything from the simplest mixed acid nitration of toluene, to the complex synthesis of highly energetic caged nitro compounds.Trade Review"With about 1500 references and many citations leading to existing reviews and further reading, this high quality book is an indispensable reference that should find its place in every good scientific library." (SYNTHESIS, December 2007) "…fill[s] a void in the literature by authoring a reference text that provides detailed information on the synthetic routes to a wide variety of energetic materials." (Journal of Hazardous Metals, July 2007) Table of ContentsForeword page xiii Preface xv Abbreviations xvii Acknowledgements xxv Background xxvii 1 Synthetic Routes to Aliphatic C-Nitro Functionality 1 1.1 Introduction 1 1.2 Aliphatic C-nitro compounds as explosives 2 1.3 Direct nitration of alkanes 2 1.4 Addition of nitric acid, nitrogen oxides and related compounds to unsaturated bonds 3 1.4.1 Nitric acid and its mixtures 3 1.4.2 Nitrogen dioxide 4 1.4.3 Dinitrogen pentoxide 5 1.4.4 Nitrous oxide and dinitrogen trioxide 6 1.4.5 Other nitrating agents 6 1.5 Halide displacement 7 1.5.1 Victor Meyer reaction 7 1.5.2 Modified Victor Meyer reaction 9 1.5.3 Ter Meer reaction 10 1.5.4 Displacements using nitronate salts as nucleophiles 13 1.6 Oxidation and nitration of C–N bonds 14 1.6.1 Oxidation and nitration of oximes 14 1.6.2 Oxidation of amines 19 1.6.3 Nitration of nitronate salts 21 1.6.4 Oxidation of pseudonitroles 23 1.6.5 Oxidation of isocyanates 23 1.6.6 Oxidation of nitrosoalkanes 24 1.7 Kaplan–Shechter reaction 24 1.8 Nitration of compounds containing acidic hydrogen 27 1.8.1 Alkaline nitration 27 1.8.2 Acidic nitration 31 1.9 Oxidative dimerization 32 1.10 Addition and condensation reactions 33 1.10.1 1,2-Addition reactions 33 1.10.2 1,4-Addition reactions 35 1.10.3 Mannich reaction 43 1.10.4 Henry reaction 44 1.11 Derivatives of polynitroaliphatic alcohols 46 1.12 Miscellaneous 49 1.12.1 1,1-Diamino-2,2-dinitroethylenes 49 1.12.2 Other routes to aliphatic nitro compounds 50 1.12.3 Selective reductions 51 1.13 Chemical stability of polynitroaliphatic compounds 51 1.13.1 Reactions with mineral acids 52 1.13.2 Reactions with base and nucleophiles 52 References 55 2 Energetic Compounds 1: Polynitropolycycloalkanes 67 2.1 Caged structures as energetic materials 67 2.2 Cyclopropanes and spirocyclopropanes 68 2.3 Cyclobutanes and their derivatives 69 2.4 Cubanes 71 2.5 Homocubanes 74 2.6 Prismanes 78 2.7 Adamantanes 79 2.8 Polynitrobicycloalkanes 82 2.8.1 Norbornanes 82 2.8.2 Bicyclo[3.3.0]octane 84 2.8.3 Bicyclo[3.3.1]nonane 85 References 85 3 Synthetic Routes to Nitrate Esters 87 3.1 Nitrate esters as explosives 87 3.2 Nitration of the parent alcohol 90 3.2.1 O-Nitration with nitric acid and its mixtures 90 3.2.2 O-Nitration with dinitrogen tetroxide 93 3.2.3 O-Nitration with dinitrogen pentoxide 93 3.2.4 O-Nitration with nitronium salts 94 3.2.5 Transfer nitration 95 3.2.6 Other O-nitrating agents 96 3.3 Nucleophilic displacement with nitrate anion 97 3.3.1 Metathesis between alkyl halides and silver nitrate 97 3.3.2 Decomposition of nitratocarbonates 98 3.3.3 Displacement of sulfonate esters with nitrate anion 98 3.3.4 Displacement with mercury (I) nitrate 99 3.4 Nitrate esters from the ring-opening of strained oxygen heterocycles 99 3.4.1 Ring-opening nitration of epoxides 99 3.4.2 1,3-Dinitrate esters from the ring-opening nitration of oxetanes with dinitrogen pentoxide 102 3.4.3 Other oxygen heterocycles 103 3.5 Nitrodesilylation 103 3.6 Additions to alkenes 104 3.6.1 Nitric acid and its mixtures 104 3.6.2 Nitrogen oxides 105 3.6.3 Metal salts 106 3.6.4 Halonitroxylation 106 3.7 Deamination 106 3.8 Miscellaneous methods 107 3.9 Synthetic routes to some polyols and their nitrate ester derivatives 108 3.10 Energetic nitrate esters 112 References 117 4 Synthetic Routes to Aromatic C-Nitro Compounds 125 4.1 Introduction 125 4.2 Polynitroarylenes as explosives 126 4.3 Nitration 128 4.3.1 Nitration with mixed acid 129 4.3.2 Substrate derived reactivity 131 4.3.3 Effect of nitrating agent and reaction conditions on product selectivity 138 4.3.4 Other nitrating agents 139 4.3.5 Side-reactions and by-products from nitration 143 4.4 Nitrosation–oxidation 144 4.5 Nitramine rearrangement 145 4.6 Reaction of diazonium salts with nitrite anion 148 4.7 Oxidation of arylamines, arylhydroxylamines and other derivatives 149 4.7.1 Oxidation of arylamines and their derivatives 149 4.7.2 Oxidation of arylhydroxylamines and their derivatives 155 4.8 Nucleophilic aromatic substitution 157 4.8.1 Displacement of halide 158 4.8.2 Nitro group displacement and the reactivity of polynitroarylenes 167 4.8.3 Displacement of other groups 169 4.8.4 Synthesis of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) 172 4.9 The chemistry of 2,4,6-trinitrotoluene (TNT) 174 4.10 Conjugation and thermally insensitive explosives 176 References 180 5 Synthetic Routes to N-Nitro Functionality 191 5.1 Introduction 191 5.2 Nitramines, nitramides and nitrimines as explosives 192 5.3 Direct nitration of amines 195 5.3.1 Nitration under acidic conditions 195 5.3.2 Nitration with nonacidic reagents 202 5.4 Nitration of chloramines 207 5.4.1 Nitration of dialkylchloramines 207 5.4.2 Nitration of alkyldichloramines 207 5.5 N-Nitration of amides and related compounds 208 5.5.1 Nitration with acidic reagents 208 5.5.2 Nitration with nonacidic reagents 211 5.6 Nitrolysis 213 5.6.1 Nitrolysis of amides and their derivatives 213 5.6.2 Nitrolysis of N-alkyl bonds 217 5.6.3 Nitrolysis of nitrosamines 221 5.7 Nitrative cleavage of other nitrogen bonds 223 5.8 Ring-opening nitration of strained nitrogen heterocycles 225 5.8.1 Aziridines 226 5.8.2 Azetidines 227 5.9 Nitrosamine oxidation 228 5.10 Hydrolysis of nitramides and nitroureas 229 5.11 Dehydration of nitrate salts 232 5.12 Other methods 233 5.13 Primary nitramines as nucleophiles 234 5.13.1 1,4-Michael addition reactions 234 5.13.2 Mannich condensation reactions 235 5.13.3 Condensations with formaldehyde 239 5.13.4 Nucleophilic displacement reactions 240 5.14 Aromatic nitramines 240 5.15 The nitrolysis of hexamine 243 5.15.1 The synthesis of RDX 243 5.15.2 The synthesis of HMX 247 5.15.3 Effect of reaction conditions on the nitrolysis of hexamine 250 5.15.4 Other nitramine products from the nitrolysis of hexamine 252 References 255 6 Energetic Compounds 2: Nitramines and Their Derivatives 263 6.1 Cyclopropanes 263 6.2 Cyclobutanes 264 6.3 Azetidines – 1,3,3-trinitroazetidine (TNAZ) 265 6.4 Cubane–based nitramines 268 6.5 Diazocines 269 6.6 Bicycles 271 6.7 Caged heterocycles – isowurtzitanes 273 6.8 Heterocyclic nitramines derived from Mannich reactions 276 6.9 Nitroureas 277 6.10 Other energetic nitramines 282 6.11 Energetic groups 284 6.11.1 Dinitramide anion 284 6.11.2 Alkyl N,N-dinitramines 286 6.11.3 N-Nitroimides 287 References 288 7 Energetic Compounds 3: N-Heterocycles 293 7.1 Introduction 293 7.2 5-Membered rings – 1N – pyrroles 294 7.3 5-Membered rings – 2N 294 7.3.1 Pyrazoles 294 7.3.2 Imidazoles 296 7.3.3 1,3,4-Oxadiazoles 297 7.3.4 1,2,5-Oxadiazoles (furazans) 297 7.3.5 Benzofurazans 302 7.3.6 Furoxans 302 7.3.7 Benzofuroxans 303 7.4 5-Membered rings – 3N 307 7.4.1 Triazoles 307 7.4.2 Triazolones 312 7.4.3 Benzotriazoles 313 7.5 5-Membered rings – 4N 314 7.6 6-Membered rings – 1N – pyridines 317 7.7 6-Membered rings – 2N 318 7.8 6-Membered rings – 3N 320 7.9 6-Membered rings – 4N 321 7.10 Dibenzotetraazapentalenes 324 References 326 8 Miscellaneous Explosive Compounds 333 8.1 Organic azides 333 8.1.1 Alkyl azides 333 8.1.2 Aromatic azides 338 8.2 Peroxides 339 8.3 Diazophenols 340 8.3.1 Diazophenols from the diazotization of aminophenols 340 8.3.2 Diazophenols from the rearrangement of o-nitroarylnitramines 341 8.4 Nitrogen-rich compounds from guanidine and its derivatives 343 References 346 9 Dinitrogen Pentoxide – An Eco-Friendly Nitrating Agent 349 9.1 Introduction 349 9.2 Nitrations with dinitrogen pentoxide 350 9.3 The chemistry of dinitrogen pentoxide 351 9.4 Preparation of dinitrogen pentoxide 351 9.5 C-nitration 353 9.6 N-nitration 355 9.7 Nitrolysis 357 9.8 O-nitration 359 9.9 Ring cleavage nitration 360 9.10 Selective O-nitration 361 9.10.1 Glycidyl nitrate and NIMMO – batch reactor verses flow reactor 362 9.11 Synthesis of the high performance and eco-friendly oxidizer – ammonium dinitramide 363 References 364 Index 367

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Book SynopsisUncertain Judgments Eliciting Experts' Probabilities presents a range of tried and tested elicitation methods to enable statisticians to get make the most of expert opinion. An elicitation method forms a bridge between an expert's opinion and an expression of these points in a statistically useful form.Trade Review“This book, written by a group of expert statisticians and psychologists, provides an introduction to the subject and a detailed overview of the existing literature. The book guides the reader through the design of an elicitation method and details examples from a cross section of literature in the statistics, psychology, engineering and health sciences disciplines.” (Zentralblatt Math, 1 August 2013) "This is an interesting, well-written book that will be valuable to any decision maker who much rely on expert judgments, any statistician who uses Bayesian statistics, and any researcher who wishes to understand the field of elicitation." (Journal of the American Statistical Association, March 2009) "This book provides an excellent introduction and working reference to the subject of its title and should be an invaluable aid to producers and consumers of expert opinion." (Biometrics, September 2008) "I recommend 'Uncertain Judgements' as an excellent source for a wide variety of research." (Psychometrika, March 2008) “…will be of interest to those who are concerned with or interested primarily in the practicalities of modeling expert judgement and opinion.” (International Journal of Marketing, January 2007)Table of ContentsPreface xi 1 Fundamentals of Probability and Judgement 1 1.1 Introduction 1 1.2 Probability and elicitation 1 1.2.1 Probability 1 1.2.2 Random variables and probability distributions 3 1.2.3 Summaries of distributions 5 1.2.4 Joint distributions 7 1.2.5 Bayes’ Theorem 8 1.2.6 Elicitation 9 1.3 Uncertainty and the interpretation of probability 10 1.3.1 Aleatory and epistemic uncertainty 10 1.3.2 Frequency and personal probabilities 11 1.3.3 An extended example 12 1.3.4 Implications for elicitation 14 1.4 Elicitation and the psychology of judgement 14 1.4.1 Judgement – absolute or relative? 15 1.4.2 Beyond perception 18 1.4.3 Implications for elicitation 20 1.5 Of what use are such judgements? 20 1.5.1 Normative theories of probability 21 1.5.2 Coherence 21 1.5.3 Do elicited probabilities have the desired interpretation? 22 1.6 Conclusions 24 1.6.1 Elicitation practice 24 1.6.2 Research questions 24 2 The Elicitation Context 25 2.1 How and who? 25 2.1.1 Choice of format 25 2.1.2 What is an expert? 26 2.2 The elicitation process 27 2.2.1 Roles within the elicitation process 28 2.2.2 A model for the elicitation process 28 2.3 Conventions in Chapters 3 to 9 31 2.4 Conclusions 31 2.4.1 Elicitation practice 31 2.4.2 Research question 31 3 The Psychology of Judgement Under Uncertainty 33 3.1 Introduction 33 3.1.1 Why psychology? 33 3.1.2 Chapter overview 34 3.2 Understanding the task and the expert 35 3.2.1 Cognitive capabilities: the proper view of human information processing? 35 3.2.2 Constructive processes: the proper view of the process? 36 3.3 Understanding research on human judgement 37 3.3.1 Experts versus the rest: the proper focus of research? 37 3.3.2 Early research on subjective probability: ‘conservatism’ in Bayesian probability revision 38 3.4 The heuristics and biases research programme 38 3.4.1 Availability 39 3.4.2 Representativeness 41 3.4.3 Do frequency representations remove the biases attributed to availability and representativeness? 46 3.4.4 Anchoring-and-adjusting 47 3.4.5 Support theory 49 3.4.6 The affect heuristic 51 3.4.7 Critique of the heuristics and biases approach 52 3.5 Experts and expertise 52 3.5.1 The heuristics and biases approach 53 3.5.2 The cognitive science approach 53 3.5.3 ‘The middle way’ 54 3.6 Three meta-theories of judgement 55 3.6.1 The cognitive continuum 56 3.6.2 The inside versus the outside view 56 3.6.3 The naive intuitive statistician metaphor 58 3.7 Conclusions 58 3.7.1 Elicitation practice 58 3.7.2 Research questions 59 4 The Elicitation of Probabilities 61 4.1 Introduction 61 4.2 The calibration of subjective probabilities 62 4.2.1 Research methods in calibration research 67 4.2.2 Calibration research: general findings 68 4.2.3 Calibration research in applied settings 72 4.2.4 A case study in probability judgement: calibration research in medicine 74 4.3 The calibration of subjective probabilities: theories and explanations 77 4.3.1 Explanations of probability judgement in calibration tasks 77 4.3.2 Theories of the calibration of subjective probabilities 79 4.4 Representations and methods 82 4.4.1 Different modes for representing uncertainty 83 4.4.2 Different formats for eliciting responses 87 4.4.3 Key lessons 89 4.5 Debiasing 89 4.5.1 General principles for debiasing judgement 90 4.5.2 Managing noise 91 4.5.3 Redressing insufficient regressiveness in prediction 92 4.5.4 A caveat concerning post hoc corrections 94 4.6 Conclusions 95 4.6.1 Elicitation practice 95 4.6.2 Research questions 95 5 Eliciting Distributions – General 97 5.1 From probabilities to distributions 97 5.1.1 From a few to infinity 98 5.1.2 Summaries 99 5.1.3 Fitting 100 5.1.4 Overview 100 5.2 Eliciting univariate distributions 100 5.2.1 Summaries based on probabilities 100 5.2.2 Proportions 104 5.2.3 Other summaries 105 5.3 Eliciting multivariate distributions 107 5.3.1 Structuring 107 5.3.2 Eliciting association 108 5.3.3 Joint and conditional probabilities 111 5.3.4 Regression 112 5.3.5 Many variables 113 5.4 Uncertainty and imprecision 114 5.4.1 Quantifying elicitation error 114 5.4.2 Sensitivity analysis 115 5.4.3 Feedback and overfitting 116 5.5 Conclusions 118 5.5.1 Elicitation practice 118 5.5.2 Research questions 119 6 Eliciting and Fitting a Parametric Distribution 121 6.1 Introduction 121 6.2 Outline of this chapter 122 6.3 Eliciting opinion about a proportion 124 6.4 Eliciting opinion about a general scalar quantity 132 6.5 Eliciting opinion about a set of proportions 137 6.6 Eliciting opinion about the parameters of a multivariate normal distribution 139 6.7 Eliciting opinion about the parameters of a linear regression model 142 6.8 Eliciting opinion about the parameters of a generalised linear model 145 6.9 Elicitation methods for other problems 147 6.10 Deficiencies in existing research 149 6.11 Conclusions 150 6.11.1 Elicitation practice 150 6.11.2 Research questions 151 7 Eliciting Distributions – Uncertainty and Imprecision 153 7.1 Introduction 153 7.2 Imprecise probabilities 153 7.3 Incomplete information 156 7.4 Summary 160 7.5 Conclusions 160 7.5.1 Elicitation practice 160 7.5.2 Research questions 160 8 Evaluating Elicitation 161 8.1 Introduction 161 8.1.1 Good elicitation 161 8.1.2 Inaccurate knowledge 161 8.1.3 Automatic calibration 162 8.1.4 Lessons of the psychological literature 163 8.1.5 Outline of this chapter 163 8.2 Scoring rules 163 8.2.1 Scoring rules for discrete probability distributions 165 8.2.2 Scoring rules for continuous probability distributions 169 8.3 Coherence, feedback and overfitting 171 8.3.1 Coherence and calibration 171 8.3.2 Feedback and overfitting 173 8.4 Conclusions 176 8.4.1 Elicitation practice 176 8.4.2 Research questions 177 9 Multiple Experts 179 9.1 Introduction 179 9.2 Mathematical aggregation 180 9.2.1 Bayesian methods 180 9.2.2 Opinion pooling 181 9.2.3 Cooke’s method 184 9.2.4 Performance of mathematical aggregation 185 9.3 Behavioural aggregation 186 9.3.1 Group elicitation 186 9.3.2 Other methods of behavioural aggregation 188 9.3.3 Performance of behavioural methods 190 9.4 Discussion 190 9.5 Elicitation practice 191 9.6 Research questions 191 10 Published Examples of the Formal Elicitation of Expert Opinion 193 10.1 Some applications 193 10.2 An example of an elicitation interview – eliciting engine sales 193 10.3 Medicine 195 10.3.1 Diagnosis and treatment decisions 195 10.3.2 Clinical trials 199 10.3.3 Survival analysis 201 10.3.4 Clinical psychology 202 10.4 The nuclear industry 204 10.5 Veterinary science 206 10.6 Agriculture 207 10.7 Meteorology 208 10.8 Business studies, economics and finance 209 10.9 Other professions 212 10.10 Other examples of the elicitation of subjective probabilities 213 11 Guidance on Best Practice 217 12 Areas for Research 223 Glossary 227 Bibliography 267 Author Index 307 Index 313

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Book SynopsisThis unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features: A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy. Serves as a guide on how to use it to carry out applications with relevant problem solving. Depth and breadth of the subject is presented in a logical, complete and progressive fashion. Although intended as an introductory text, this book provides in depth coverage of this topic relevant to both students and professionals by taking the reader from basic theory through to practical and instrumental approaches.Trade Review“In any case, once practicing something like the VOA, one should read the manual. And I can hardly imagine a better one than the book of Laurence Nafie.“ (Chirality, 2012) Table of ContentsPreface xvii 1 Overview of Vibrational Optical Activity 1 1.1 Introduction to Vibrational Optical Activity 1 1.2 Origin and Discovery of Vibrational Optical Activity 9 1.3 VCD Instrumentation Development 14 1.4 ROA Instrumentation Development 16 1.5 Development of VCD Theory and Calculations 18 1.6 Development of ROA Theory and Calculations 22 1.7 Applications of Vibrational Optical Activity 25 1.8 Comparison of Infrared and Raman Vibrational Optical Activity 28 1.9 Conclusions 30 2 Vibrational Frequencies and Intensities 35 2.1 Separation of Electronic and Vibrational Motion 35 2.2 Normal Modes of Vibrational Motion 41 2.3 Infrared Vibrational Absorption Intensities 48 2.4 Vibrational Raman Scattering Intensities 56 3 Molecular Chirality and Optical Activity 71 3.1 Definition of Molecular Chirality 71 3.2 Fundamental Principles of Natural Optical Activity 76 3.3 Classical Forms of Optical Activity 83 3.4 Newer Forms of Optical Activity 88 4 Theory of Vibrational Circular Dichroism 95 4.1 General Theory of VCD 96 4.2 Formulations of VCD Theory 108 4.3 Atomic Orbital Level Formulations of VCD Intensity 114 4.4 Transition Current Density and VCD Intensities 124 5 Theory of Raman Optical Activity 131 5.1 Comparison of ROA to VCD Theory 131 5.2 Far-From Resonance Theory (FFR) of ROA 133 5.3 General Unrestricted (GU) Theory of ROA 137 5.4 Vibronic Theories of ROA 148 5.5 Resonance ROA Theory 159 6 Instrumentation for Vibrational Circular Dichroism 169 6.1 Polarization Modulation Circular Dichroism 169 6.2 Stokes–Mueller Optical Analysis 177 6.3 Fourier Transform VCD Measurement 187 6.4 Commercial Instrumentation for VCD Measurement 193 6.5 Advanced VCD Instrumentation 194 7 Instrumentation for Raman Optical Activity 205 7.1 Incident Circular Polarization ROA 205 7.2 Scattered Circular Polarization ROA 211 7.3 Dual Circular Polarization ROA 215 7.4 Commercial Instrumentation for ROA Measurement 222 7.5 Advanced ROA Instrumentation 225 8 Measurement of Vibrational Optical Activity 233 8.1 VOA Spectral Measurement 233 8.2 Measurement of IR and VCD Spectra 234 8.3 Measurement of Raman and ROA Spectra 251 9 Calculation of Vibrational Optical Activity 261 9.1 Quantum Chemistry Formulations of VOA 261 9.2 Fundamental Steps of VOA Calculations 274 9.3 Methods and Visualization of VOA Calculations 282 9.4 Calculation of Electronic Optical Activity 289 10 Applications of Vibrational Optical Activity 293 10.1 Classes of Chiral Molecules 293 10.2 Determination of Absolute Configuration 296 10.3 Determination of Enantiomeric Excess and Reaction Monitoring 302 10.4 Biological Applications of VOA 307 10.5 Future Applications of VOA 329 Appendices. A Models of VOA Intensity 335 A.1 Estimate of CD Intensity Relative to Absorption Intensity 335 A.2 Degenerate Coupled Oscillator Model of Circular Dichroism 336 A.3 Fixed Partial Charge Model of VCD 338 A.4 Localized Molecular Orbital Model of VCD 340 A.5 Ring Current Model and Other Vibrational Electronic Current Models 341 A.6 Two-Group and Related Models of ROA 342 B Derivation of Probability and Current Densities from Multi-Electron Wavefunctions for Electronic and Vibrational Transitions 345 B.1 Transition Probability Density 345 B.2 Transition Current Density 347 B.3 Conservation of Transition Probability and Current Density 348 B.4 Conservation Equation for Vibrational Transitions 349 C Theory of VCD for Molecules with Low-Lying Excited Electronic States 353 C.1 Background Theoretical Expressions 353 C.2 Lowest-Order Vibronic Theory Including Low-Lying Electronic States 355 C.3 Vibronic Energy Approximation 356 C.4 Low-Lying Magnetic-Dipole-Allowed Excited Electronic States 360 D Magnetic VCD in Molecules with Non-Degenerate States 363 D.1 General Theory 363 D.2 Combined Complete Adiabatic and Magnetic-Field Perturbation Formalism 364 D.3 Vibronic Coupling B-Term Derivation 365 D.4 MCD from Transition Metal Complexes with Low-Lying Electronic States 367 References 368 Index 369

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Book SynopsisThe latest edition of a highly successful textbook, Mass Spectrometry, Third Edition provides students with a complete overview of the principles, theories and key applications of modern mass spectrometry. All instrumental aspects of mass spectrometry are clearly and concisely described: sources, analyzers and detectors.Trade Review"An excellent source of qualitative information on MS for postgraduates and professionals in the fields of research … .A reasonably priced book and we would recommend it." (The Higher Education Academy Physical Sciences Centre, December 2008) "Featuring numerous examples, references, and a series of exercises of increasing difficulty, this updated edition now includes additional coverage." (Materials and Corrosion, November 2007) "Es ist eine Freude in diesem Buch nach apparativen oder Messprinzipien zu suchen. ... Man bekommt nur selten soviel Information auf knapp 500 Seiten geboten." Mitteilungsblatt GDChTable of ContentsPreface xi Introduction 1 Principles 1 Diagram of a Mass Spectrometer 4 History 5 Ion Free Path 10 1 Ion Sources 15 1.1 Electron Ionization 15 1.2 Chemical Ionization 17 1.3 Field Ionization 28 1.4 Fast Atom Bombardment and Liquid Secondary Ion Mass Spectrometry 29 1.5 Field Desorption 31 1.6 Plasma Desorption 32 1.7 Laser Desorption 33 1.8 Matrix-Assisted Laser Desorption Ionization 33 1.9 Thermospray 41 1.10 Atmospheric Pressure Ionization 42 1.11 Electrospray 43 1.12 Atmospheric Pressure Chemical Ionization 55 1.13 Atmospheric Pressure Photoionization 56 1.14 Atmospheric Pressure Secondary Ion Mass Spectrometry 61 1.15 Inorganic Ionization Sources 65 1.16 Gas-Phase Ion-Molecule Reactions 72 1.17 Formation and Fragmentation of Ions: Basic Rules 76 2 Mass Analysers 85 2.1 Quadrupole Analysers 88 2.2 Ion Trap Analysers 100 2.3 The Electrostatic Trap or ‘Orbitrap’ 122 2.4 Time-of-Flight Analysers 126 2.5 Magnetic and Electromagnetic Analysers 143 2.6 Ion Cyclotron Resonance and Fourier Transform Mass Spectrometry 157 2.7 Hybrid Instruments 164 3 Detectors and Computers 175 3.1 Detectors 175 3.2 Computers 182 4 Tandem Mass Spectrometry 189 4.1 Tandem Mass Spectrometry in Space or in Time 189 4.2 Tandem Mass Spectrometry Scan Modes 192 4.3 Collision-Activated Decomposition or Collision-Induced Dissociation 195 4.4 Other Methods of Ion Activation 199 4.5 Reactions Studied in MS/MS 202 4.6 Tandem Mass Spectrometry Applications 204 5 Mass Spectrometry/Chromatography Coupling 217 5.1 Elution Chromatography Coupling Techniques 218 5.2 Chromatography Data Acquisition Modes 228 5.3 Data Recording and Treatment 230 6 Analytical Information 243 6.1 Mass Spectrometry Spectral Collections 243 6.2 High Resolution 245 6.4 Low-mass Fragments and Lost Neutrals 257 6.5 Number of Rings or Unsaturations 258 6.6 Mass and Electron Parities, Closed-shell Ions and Open-shell Ions 259 6.7 Quantitative Data 260 7 Fragmentation Reactions 273 7.1 Electron Ionization and Fragmentation Rates 273 7.2 Quasi-Equilibrium and RRKM Theory 275 7.3 Ionization and Appearance Energies 279 7.4 Fragmentation Reactions of Positive Ions 280 7.5 Fragmentation Reactions of Negative Ions 291 7.6 Charge Remote Fragmentation 293 7.7 Spectrum Interpretation 294 8 Analysis of Biomolecules 305 8.1 Biomolecules and Mass Spectrometry 305 8.2 Proteins and Peptides 306 8.3 Oligonucleotides 342 8.4 Oligosaccharides 357 8.5 Lipids 371 8.6 Metabolomics 386 9 Exercises 403 Questions 403 Answers 415 Appendices 437 1 Nomenclature 437 2 Acronyms and abbreviations 442 3 Fundamental Physical Constants 446 5 Isotopic Abundances (in %) for Various Elemental Compositions CHON 457 6 Gas-Phase Ion Thermochemical Data of Molecules 467 7 Gas-Phase Ion Thermochemical Data of Radicals 469 8 Literature on Mass Spectrometry 470 9 Mass Spectrometry on Internet 476 Index 479

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Book SynopsisExploring the importance of Richard F. Heck's carbon coupling reaction, this book highlights the subject of the 2010 Nobel Prize in Chemistry for palladium-catalyzed cross couplings in organic synthesis, and includes a foreword from Nobel Prize winner Richard F. Heck.Trade Review"It is by far the most authoritative book in this area written to date and has employed many of the major contributors in the area over recent years to provide chapters, resulting in good...coverage of the literature." (Applied Organimetallic Chemistry , March 2010) “I am convinced that this book will rapidly become the most important reference text for research chemists in academia and industry who seek orientation in the rapidly growing and – for the layman – confusing field described as the “’Mizoroki–Heck reaction’.” (Synthesis, March 2010) "This book is a welcome addition to the subject and provides almost all the areas you would want to be covered." (Organic Process Research & Development Journal, 2010) "The selection and clear arrangement of the competently written chapters of this book is well done, giving a rapid general overview of current knowledge about various aspects of this important reaction." (Angewandte Chemie December 2009) Table of ContentsForeword by Professor Richard F. Heck 1 Mechanisms of the Mizoroki–Heck Reaction Anny Jutand 2 Focus on Catalyst Development and Ligand Design Irina P. Beletskaya and Andrei V. Cheprakov 3 Focus on Regioselectivity and Product Outcome in Organic Synthesis Peter Nilsson, Kristofer Olofsson and Mats Larhed 4 Waste-Minimized Mizoroki–Heck Reactions Lukas Gooßen and Käthe Gooßen 5 Formation of Carbocycles Axel B. Machotta and Martin Oestreich 6 Formation of Heterocycles Thierry Muller and Stefan Bräse 7 Chelation-Controlled Mizoroki–Heck Reactions Kenichiro Itami and Jun-ichi Yoshida 8 The Mizoroki–Heck Reaction in Domino Processes Lutz F. Tietze and Laura M. Levy 9 Oxidative Heck-Type Reactions (Fujiwara–Moritani Reactions) Eric M. Ferreira, Haiming Zhang and Brian M. Stoltz 10 Mizoroki–Heck Reactions with Metals Other than Palladium Lutz Ackermann and Robert Born 11 Ligand Design for Intermolecular Asymmetric Mizoroki–Heck Reactions Anthony G. Coyne, Martin O. Fitzpatrick and Patrick J. Guiry 12 Intramolecular Enantioselective Mizoroki–Heck Reactions James T. Link and Carol K. Wada 13 Desymmetrizing Heck Reactions Masakatsu Shibasaki and Takashi Ohshima 14 Combinatorial and Solid-Phase Syntheses Thierry Muller and Stefan Bräse 15 Mizoroki–Heck Reactions: Modern Solvent Systems and Reaction Techniques Werner Bonrath, Ulla L´etinois, Thomas Netscher and Jan Schütz 16 The Asymmetric Intramolecular Mizoroki–Heck Reaction in Natural Product Total Synthesis Amy B. Dounay and Larry E. Overman

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Book SynopsisBiomineralization is a hot topic in the area of materials, and this volume in the Metals Ions in Life Sciences series takes a systematic approach, dealing with all aspects from the fundamentals to applications. Key biological features of biomineralization, such as gene directed growth and the role of enzymes are covered, as are new areas, including copper/zinc in the jaws of invertebrates or magnetic biomaterials that help birds with navigationTrade Review"From ions to life-minerals: there is a bio-inspired growth pathway paved by enzymes! From Buchner’s discovery of cell-free fermentation and enzymology to modern day biochemistry – there are still many more paths to explore! This volume is an excellent training manual for such expeditions." (Coordination Chemistry Reviews, July 2009)Table of ContentsHISTORICAL DEVELOPMENT AND PERSPECTIVES OF THE SERIES. PREFACE TO VOLUME 4. CONTRIBUTORS TO VOLUME 4. TITLES OF VOLUMES 1–44 IN THE METAL IONS IN BIOLOGICAL SYSTEMS SERIES. CONTENTS OF VOLUMES IN THE METAL IONS IN LIFE SCIENCES SERIES. (1) Crystals and Life. An Introduction (Arthur Veis). Abstract. 1. Introduction. 2. Global Effects. 3. Minerals within Living Systems. 4. Concluding Remarks. Acknowledgments. Abbreviations. References. (2) What Genes and Genomes Tell Us about Calcium Carbonate Biomineralization (Fred H. Wilt and Christopher E. Killian). Abstract. 1. Introduction. 2. One Gene–One Protein Approaches. 3. Many Genes–One Structure Approaches. 4. General Conclusions. Acknowledgments. Abbreviations. References. (3) The Role of Enzymes in Biomineralization Processes (Ingrid M. Weiss and Frédéric Marin). Abstract. 1. Introduction. 2. From Ions to Minerals: A Pathway Paved by Enzymes. 3. The “Evolution” of Solids: A Complex Network of Regulation. 4. Mimicking Nature: How Far Can the Design of Biomineralization Enzymes Take Us? 5. Conclusions. Acknowledgments. Abbreviations. References. (4) Metal–Bacteria Interactions at Both the Planktonic Cell and Biofilm Levels (Ryan C. Hunter and Terry J. Beveridge). Abstract. 1. Introduction. 2. Planktonic Bacterial Cells. 3. Metal–Microbe Interactions. 4. Microbial Biofilm Communities. 5. Biofilm Microenvironments and Their Impact on Geochemical Interactions. 6. Concluding Remarks. Acknowledgments. Abbreviations and Definitions. References. (5) Biomineralization of Calcium Carbonate. The Interplay with Biosubstrates (Amir Berman). Abstract. 1. Introduction. 2. Control in Biological Mineralization. 3. Recent Perspectives on Mineralization Strategies. 4. CaCO3 Growth in Confinement. 5. Crystal Assembly. 6. In Vitro Studies of CaCO3 Mineralization. 7. Calcium Carbonate Nucleation and Growth on Artificial Substrates. 8. Summary and Outlook. Acknowledgments. Abbreviations. References. (6) Sulfate-Containing Biominerals (Fabienne Bosselmann and Matthias Epple). Abstract. 1. Sulfate-Containing Biominerals: An Overview. 2. Gypsum and Bassanite (Calcium Sulfates). 3. Celestite (Strontium Sulfate). 4. Barite (Barium Sulfate). 5. Jarosite (Potassium Iron Hydroxide Sulfate). 6. Concluding Remarks. Acknowledgments. References. 7 OXALATE BIOMINERALS. (7) Oxalate Biominerals (Enrique J. Baran and Paula V. Monje). Abstract. 1. Introduction. 2. Metallic Oxalates: Physico-Chemical and Structural Properties. 3. Calcium Oxalates in Plants. 4. Calcium Oxalates in Other Forms of Life. 5. Other Oxalate Biominerals. 6. Pathological Oxalates. 7. Oxalates in the Environment. 8. Oxalate Degrading Systems. 9. Conclusions and Perspectives. Acknowledgments. Abbreviations. References. 8 MOLECULAR PROC. (8) Molecular Processes of Biosilicification in Diatoms (Aubrey K. Davis and Mark Hildebrand). Abstract. 1. Introduction. 2. Silicon Transport. 3. Silica Structure Formation. 4. Regulation of Structure Formation. 5. Manipulation of Diatom Silica Structure. 6. Concluding Remarks and Future Directions. Acknowledgments. Abbreviations. References. (9) Heavy Metals in the Jaws of Invertebrates (Helga C. Lichtenegger, Henrik Birkedal, and J. Herbert Waite). Abstract. 1. Introduction. 2. Iron Biomineralization in Chitons and Limpets. 3. Copper and Zinc in Marine Worm Jaws. 4. Zinc and Manganese in Arthropods. 5. Heavy Metals and Jaw Mechanics. 6. General Conclusions. Acknowledgment. Abbreviations and Definitions. References. (10) Ferritin. Biomineralization of Iron (Elizabeth C. Theil, Xiaofeng S. Liu, and Manolis Matzapetakis). Abstract. 1. Introduction. 2. Protein Nanocage Structures. 3. Iron Entry: The Protein Ferroxidase Site. 4. Mineral Precursor Translocation, Nucleation, and Mineralization. 5. Ferritin Demineralization and the Nanocage Gated Pores. 6. Summary and Perspective. Acknowledgments. Abbreviations and Definitions. References. (11) Magnetism and Molecular Biology of Magnetic Iron Minerals in Bacteria (Richard B. Frankel, Sabrina Schübbe, and Dennis A. Bazylinski). Abstract. 1. Introduction. Magnetotactic Bacteria. 2. Molecular Biology of Magnetosome Chain Formation. 3. Magnetic Properties of Magnetosomes. 4. Conclusions. Acknowledgments. Abbreviations. References. (12) Biominerals. Recorders of the Past? (Danielle Fortin, Sean Langley, and Susan Glasauer). Abstract. 1. Introduction. 2. What Are Biominerals? 3. Biominerals as Biosignatures? 4. Tools to Study Biosignatures. 5. General Conclusions. Acknowledgments. Abbreviations. References. (13) Dynamics of Biomineralization and Biodemineralization (Lijun Wang and George H. Nancollas). Abstract. 1. Introduction. 2. Nucleation and Crystal Growth. 3. Dissolution. 4. Conclusion and Future Directions. Acknowledgments. Abbreviations and Definitions. List of Symbols. References. (14) Mechanism of Mineralization of Collagen-Based Connective Tissues (Adele L. Boskey). Abstract. 1. Introduction. 2. Function of Collagen in the Regulation of Vertebrate Biomineralization. 3. Comparative Composition of the Organic Components of Collagenous Mineralized Tissues. 4. Is there a Uniform Theory of Vertebrate Mineralization? Acknowledgments. Abbreviations. References. (15) Mammalian Enamel Formation (Janet Moradian-Oldak and Michael L. Paine). Abstract. 1. Introduction. 2. Delineation of the Extracellular Space. 3. Ion Composition and Transport. 4. The Organic Matrix Components. 5. Function of Organic Matrix in Enamel Formation. 6. Matrix Degradation. 7. Conclusions. Acknowledgments. Abbreviations. References. (16) Mechanical Design of Biomineralized Tissues. Bone and Other Hierarchical Materials (Peter Fratzl). Abstract. 1. Introduction. 2. Growth, Self-Repair, and Structural Hierarchies. 3. Hierarchical Structure of Bone. 4. Hierarchical Structure of a Silica Sponge Skeleton. 5. Some Structural Elements with Mechanical Function. 6. Conclusions. Acknowledgments. References. (17) Bioinspired Growth of Mineralized Tissue (Darilis Suárez-González and William L. Murphy). Abstract. 1. Introduction. 2. Natural Development of Bone. 3. Connective Tissue Progenitor Cells. 4. Inductive Soluble Factors. 5. Bone Structural Properties. 6. Scaffold Materials for Bioinspired Mineralized Tissue Fabrication. 7. Summary. Acknowledgments. Abbreviations and Definitions. References. (18) Polymer-Controlled Biomimetic Mineralization of Novel Inorganic Materials (Helmut Cölfen and Markus Antonietti). Abstract. 1. Introduction. 2. Different Crystallization Modes and Ways to Modify Crystallization. 3. Polymer-Controlled Crystallization. 4. Conclusion. 5. Current Trends and Outlook to the Future. Acknowledgments. Abbreviations. References. SUBJECT INDEX.

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Book SynopsisFerrocene-the prototypical metallocene-is a fascinating molecule. Even though it was first discovered over fifty years ago, research into ferrocene-containing compounds continues apace, largely stimulated by their successful applications in catalysis, materials science and bioorganometallic chemistry.Trade Review"Many may find it rewarding to sample a few chapters that are relevant to their main interests or just to get an idea of what can still be done with this 'classic' organometallic molecule." (Journal of the American Chemical Society, February 4, 2009) "It will be very useful as a reference source for everyone involved in research in the rapidly developing field of ferrocene chemistry." (Angewandte Chemie, September 22, 2008 )Table of ContentsPreface. Contributors. PART I: FERROCENE LIGANDS. 1 Monodentate Ferrocene Donor Ligands (Robert C.J. Atkinson and Nicholas J. Long). 2 The Coordination and Homogeneous Catalytic Chemistry of 1,1'-Bis(diphenylphosphino)ferrocene and its Chalcogenide Derivatives (Sheau W. Chien and T.S. Andy Hor). 3 Synthesis, Coordination Chemistry and Catalytic Use of dppf Analogs (Thomas J. Colacot and Sébastien Parisel). 4 Other Symmetric 1,1'-Bidentate Ferrocene Ligands (Ulrich Siemeling). 5 1-Functionalised Ferrocene Phosphines: Synthesis, Coordination Chemistry and Catalytic Applications (Petr Stepnicka). 6 Chiral 1,2-Disubstituted Ferrocene Diphosphines for Asymmetric Catalysis (Hans-Ulrich Blaser, Weiping Chen, Francesco Camponovo and Antonio Togni). 7 Synthesis and Catalytic Use of Planar Chiral and Polydentate Ferrocene Donors (Petr Stepnicka and Martin Lamac). PART II: MATERIALS, MOLECULAR DEVICES AND BIOMOLECULES. 8 Ferrocene Sensors (Simon R. Bayly, Paul D. Beer and George Z. Chen). 9 Ferrocene-Based Electro-Optical Materials (J¨urgen Heck and Markus Dede). 10 Ferrocene-Containing Polymers and Dendrimers (Nicholas J. Long and Konrad Kowalski). 11 Ferrocene-Containing Thermotropic Liquid Crystals (Robert Deschenaux). 12 Crystal Engineering with Ferrocene Compounds (Dario Braga, Marco Curzi, Stefano Luca Giaffreda, Fabrizia Grepioni, Lucia Maini, Anna Pettersen and Marco Polito). 13 The Bioorganometallic Chemistry of Ferrocene (Nils Metzler-Nolte and Mich`ele Salmain). Index.

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Book SynopsisHave you ever wished you could speed up your organic syntheses without losing control of the reaction? Flash Chemistry is a new concept which offers an integrated scheme for fast, controlled organic synthesis. It brings together the generation of highly reactive species and their reactions in Microsystems to enable highly controlled organic syntheses on a preparative scale in timescales of a few seconds or less. Flash Chemistry: Fast Organic Synthesis in microsystems is the first book to describe this exciting new technique, with chapters covering: an introduction to flash chemistry reaction dynamics: how fast is the act of chemical transformation, what is the rate of reaction, and what determines the selectivity of a reaction? examples of why flash chemistry is needed: the rapid construction of chemical libraries, rapid synthesis of radioactive PET probes, and on-demand rapid synthesis in industry the generation of highly reactive Trade Review?The book provides a nice, self-consistent overview of the motivation for flow chemistry, the basic principles of chemical reactions and organic synthesis, and an examination of the concepts of fluid flow, heat and mass transfer, and devices.? (JACS , August 2009) "I found the book very readable and would recommend it to anyone wishing to learn about the benefits of microreactor technology.... The author has structured the book well; the introductory chapters clearly establish the basic concepts of microreactor technology." (Chemistry World, March 2009) Table of ContentsPreface. 1. Introduction. 1.1 Flask Chemistry. 1.2 Flash Chemistry. 1.3 Flask Chemistry or Flash Chemistry. 2. The Background to Flash Chemistry. 2.1 How do Chemical Reactions Take Place? 3. What is Flash Chemistry? 4. Why is Flash Chemistry Needed? 4.1 Chemical Reaction, an Extremely Fast Process at Molecular Level. 4.2 Rapid Construction of Chemical Libraries. 4.3 Rapid Synthesis of Radioactive Position Emission Tomography Probes. 4.4 On-Demand Rapid Synthesis in Industry. 4.5 Conclusions. 5. Methods of Activating Molecules. 5.1 Thermal Activation of Organic Molecules. 5.2 Photochemical Activation. 5.3 Electrochemical Activation. 5.4 Chemical Activation. 5.5 Accumulation of Reactive Species. 5.6 Continuous Generation of Reactive Species in a Flow System. 5.7 Interconversion Between Reactive Species. 5.8 Conclusions. 6. Control of Extremely Fast Reactions. 6.1 Mixing. 6.2 Temperature Control. 6.3 Residence Time Control. 6.4 Conclusions. 7. Microfluidic Devices and Microflow Systems. 7.1 Brief History. 7.2 Characteristic Features of Microflow Systems. 7.3 Microstructured Fluidic Devices. 7.4 Conclusions. 8. Applications of Flash Chemistry in Organic Synthesis. 8.1 Highly Exothermic Reactions that are Difficult to Control in Macrobatch Reactors. 8.2 Reactions in Which a Reactive Intermediate Easily Decomposes in Macrobatch Reactors. 8.3 Reactions with Products of Which Easily Decompose in Macrobatch Reactors. 8.4 Reactions in Which Undesired By-products are Produced in the Subsequent Reactions In Macrobatch Reactors. 8.5 Reactions That Can Be Accelerated Using Microflow Systems. 8.6 Conclusions. 9. Polymer Synthesis Based on Flash Chemistry. 9.1 Introduction. 9.2 Chain-Growth Polymerization and Step-Growth Polymerization. 9.3 Molecular Weight and Molecular-Weight Distribution. 9.4 Cationic Polymerization. 9.5 Free-Radical Polymerization. 9.6 Conclusions. 10. Industrial Applications of Flash Chemistry. 10.1 Synthesis of Diarylethene as Photochromic Compound (Micrometer-Size Single-Channel Reactor). 10.2 Synthesis of Pharmaceutically Interesting Spiro Lactone Fragment Of Nueropeptide Y (Millimeter-Size Channel-Single Reactor). 10.3 Grignard Exchange Process (Internal numbering-up). 10.4 Radical Polymerization Process (Numbering-up). 10.5 Other examples of Industrial Applications of Flash Chemistry . 10.6 Flash Chemistry as a Powerful Means of Sustainable Chemical Synthesis. 10.7 Conclusions. 11. Outlook of Flash Chemistry. Index.

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Book SynopsisA consolidated and comprehensive reference on ligand-binding assays Ligand-binding assays (LBAs) stand as the cornerstone of support for definition of the pharmaco-kinetics and toxicokinetics of macromolecules, an area of burgeoning interest in the pharmaceutical industry. Yet, outside of the Crystal City Conference proceedings, little guidance has been available for LBA validation, particularly for assays used to support macromolecule drug development. Ligand-Binding Assays: Development, Validation, and Implementation in the Drug Development Arena answers that growing need, serving as a reference text discussing critical aspects of the development, validation, and implementation of ligand-binding assays in the drug development field. Ligand-Binding Assays covers essential topics related to ligand-binding assays, from pharmacokinetic studies, the development of LBAs, assay validation, statistical LBA aspects, and regulatory aspects, to software for LBAs Trade Review"Ligand-Binding Assays, written by recognized and respected industry experts, covers a wide range of topics that provide valuable information to someone who is new to the field." (News & Analysis, 2011) "Ligand-Binding Assays, edited by Masood Kahn and John Findlay offers a comprehensive, in depth description of all aspects of the subject. The editors are directly involved in the ligand-binding assay field and individual chapters are written by experts with a thorough understanding of the specific topics. The book is easy to read, clear and well illustrated. The emphasis is on biologicals rather than small molecules and this reflects the current application of many of the procedures covered. There is a good overview of assay validation, and this book is highly recommended for those with an interest in the topic." —Robin Thorpe, PhD FRCPath, National Institute for Biological Standards and Control "This book is a collection of valuable articles describing these assays in some detail, both from a historical perspective ..., but also regarding the new developments in the field, such as new technologies to support drug development ... and pharmacokinetic research." (ChemMedChem, July 2010)Table of ContentsPreface. Contributors. 1 Ligand-Binding Assays in Drug Development: Introduction and Historical Perspective (John W.A. Findlay and Masood N. Khan). 1.1 General. 1.2 Historical Review. 1.3 LBAs for Macromolecules. 1.4 Advantages and Limitations of LBAs. 1.5 Ligand-Binding Assay Bioanalytical Focus Group of AAPS. 1.6 Scope of the Present Volume. References. 2 Ligand-Binding Assays to Support Disposition Studies of Macromolecular Therapeutics (Marian M. Kelley, Marjorie A. Mohler, and John W.A. Findlay). 2.1 Introduction. 2.2 Differences Between Low Molecular Weight Molecules and Macromolecules. 2.3 LBA Assay Considerations Relative to Research and Development Stage. 2.4 Critical Future Challenges for Ligand-Binding Assays. 2.5 Conclusions. References. 3 Development of Ligand-Binding Assays for Drug Development Support (Masood N. Khan, Proveen D. Dass, John H. Leete, Richard F. Schuman, Michele Gunsior, and Chanchal Sadhu). 3.1 Introduction. 3.2 Inherent Complexities of Immunoassay Development. 3.3 Steps in the Development of a Validatable Immunoassay. 3.4 Development and Optimization of an Immunoassay. 3.5 Optimization of Commercial Kit-Based Assays. 3.6 Troubleshooting Immunoassays. 3.7. Conclusions. Acknowledgments. References. 4 Validation of Ligand-Binding Assays to Support Pharmacokinetic Assessments of Biotherapeutics (Binodh S. DeSilva and Ronald R. Bowsher). 4.1 Introduction. 4.2 Assay Development and Validation Paradigm. 4.3 Prestudy Validation Phase. 4.4 Analytical Performance Characteristics. 4.5 In-Study Validation Phase. 4.6 Partial Validations/Method Transfer/Cross-Validation. 4.7 Documentation. 4.8 Conclusions. References. 5 Statistical Considerations in the Validation of Ligand-Binding Assays (Bruno Boulanger, Viswanath Devanarayan, and Walthère Dewé). 5.1 Introduction. 5.2 Objectives of Assay Validation. 5.3 Validation Criteria. 5.4 Estimating Assay Performance Characteristics. 5.5 Decision Rules and Risk Assessment in Prestudy Validation. 5.6 Decision Rules During In-Study Phase and Associated Risks. 5.7 Reconciling Validation and Routine Decision Rules. 5.8 Conclusions. References. 6 Development and Validation of Ligand-Binding Assays for Biomarkers (Jean W. Lee, Yang Pan, Peter J. O’Brien, and Ren Xu). 6.1 Introduction. 6.2 Preanalytical Considerations and Method Feasibility. 6.3 Method Development and Method Qualification for Exploratory Applications. 6.4 Method Development and Method Validation for Advanced Applications. 6.5 Partial Validation for Change Control. 6.6 Documentation, Record Keeping, and Reporting. 6.7 Regulatory Issues. 6.8 In-study Validation. 6.9 Conclusions. Acknowledgments. References. 7 The Use of Commercial Assay Kits for PK/PD Analysis in Drug Development (John L. Allinson and John D. Chappell). 7.1 Introduction. 7.2 Validation Definitions That May be Interpreted Inconsistently. 7.3 Validation Experiments. 7.4 Stability. 7.5 Reoptimizing Reagent Concentrations. 7.6 The Use of Commercial Kits for PK and TK Assays. 7.7 Matrix Problems. 7.8 Changing Method Protocol. 7.9 Conclusions. References. 8 Development and Validation of Immunogenicity Assays for Preclinical and Clinical Studies (Thomas H. Parish, Deborah Finco, and Viswanath Devanarayan). 8.1 Introduction. 8.2 Immunogenicity Risk-Based Strategy. 8.3 Regulatory Guidance. 8.4 Assay Design. 8.5 Optimization and Validation: Total Binding Antibody Assays. 8.6 Optimization and Validation: Neutralizing Antibody Assays. 8.7 Assays and Risk Assessment. 8.8 Application and Interpretation of Data. 8.9 Conclusions. 8.10 Appendix 8.A Illustration of Screening Cut Point Evaluation. References. 9 Macromolecular Reference Standards for Biotherapeutic Pharmacokinetic Analysis (Marie T. Rock and Stephen Keller). 9.1 Introduction. 9.2 United States Pharmacopeia. 9.3 Characterization of Non-USP Reference Standards. 9.4 The PK Assay. 9.5 Conclusions. References. 10 Strategies for Successful Transfer of Ligand-Binding Assays for Successful Validation and Implementation in GXP Environment (Wolfgang Klump and Howard Hill). 10.1 Introduction. 10.2 Establishing Successful Working Relationships Between Laboratories. 10.3 Method Transfer. 10.4 Monitoring the Method Transfer Process. 10.5 Auditing CROs. 10.6 Method Troubleshooting. 10.7 Secrets of Successful Method Transfer. Acknowledgments. References. 11 Application of Automation in Ligand-Binding Assays (Chris Morrow). 11.1 Introduction. 11.2 Implementing Automated Systems. 11.3 Specific Ligand-Binding Assay Automation Systems. 11.4 Automated Sample Dilutors. 11.5 Assay Robots. 11.6 Integration: Tying It All Together. 11.7 Future Directions in Ligand-Binding Assay Automation. 11.8 Conclusion. Acknowledgments. References. 12 Documentation and Regulatory Compliance (CT. Viswanathan and Jacqueline A. O’Shaughnessy). 12.1 Regulatory Perspectives in the Documentation of Bioanalytical Data and Reports. 12.2 Recommendations for Development, Validation, Implementation, and Reporting Phases. 12.3 Conclusions. References. 13 Alternative and Emerging Methodologies in Ligand-Binding Assays (Huifen F. Wang and John W.A. Findlay). 13.1 Introduction. 13.2 Dissociation-Enhanced Lanthanide Fluoroimmunoassay. 13.3 Enzyme-Linked Immunospot Assay. 13.4 Immuno-Polymerase Chain Reaction. 13.5 Electrochemiluminescence-Based Ligand-Binding Assays. 13.6 Hybridization-Based Ligand-Binding Assays. 13.7 Molecularly Imprinted Polymers (Synthetic Antibodies). 13.8 Surface Plasmon Resonance Methods. 13.9 Chromatography–Ligand-Binding Assay Coupled Methods, Immunoaffinity Systems, and Online (Flow-Injection) Ligand-Binding Assay Methods. 13.10 Future Trends and Directions for LBATechnologies. 13.11 Conclusions. Acknowledgment. References. Index.

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Book SynopsisOrganic Reactions is a comprehensive series of volumes composed of chapters devoted to important synthetic reactions. For each volume, the chapter authors are world--renowned experts with extensive hands--on experience in the field.Table of Contents1. CATALYTIC ENANTIOSELECTIVE ALDOL ADDITION REACTIONS (Erick M. Carreira, Alec Fettes, and Christiane Marti). 2. BENZYLIC ACTIVATION AND STEREOCHEMICAL CONTROL IN REACTIONS OF TRICARBONYL(ARENE)CHROMIUM COMPLEXES (Motokazu Uemura). CUMULATIVE CHAPTER TITLES BY VOLUME. AUTHOR INDEX, VOLUMES 1–67. CHAPTER AND TOPIC INDEX, VOLUMES 1–67.

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Book SynopsisWith approximately 100 instructional screens including extensive links, graphics, videos, and supplemental slides; this CD serves both as a self-paced tutorial or an aid for lecture presentations. The CD shows how uncontrolled industrial chemical reactions can lead to serious harm and introduces key concepts for avoiding unintended reactions.

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Book SynopsisThis comprehensive reference consolidates current information on the antioxidant properties of wheat, their beneficial effects, the mechanisms involved, factors affecting availability/bioavailability, and the methods used to measure them.Trade Review"The book presents current information on antioxidant compounds of wheat." (Food Science and Technology Abstracts, September 2008)Table of ContentsContributors xi CHAPTER 1 OVERVIEW AND PROSPECTIVE 1 1.1 Introduction 1 1.2 Antioxidant Properties of Wheat Grain 2 1.3 Other Biological Activities of Wheat Antioxidants 3 1.4 Wheat Antioxidants: Opportunities and Challenges 5 CHAPTER 2 ANTIOXIDANT PROPERTIES OF WHEAT GRAIN AND ITS FRACTIONS 7 2.1 Sample Preparation 8 2.2 Total Phenolic Content (TPC) and Total Antioxidant Capacity (TAC) of Wheat Fractions 8 2.3 Iron(II)-Chelating Activity of Wheat Fractions 11 2.4 Oxygen Radical Absorbance Capacity (ORAC) of Wheat Fractions 13 2.5 Inhibition of Photochemiluminescence (PCL) by Wheat Fractions 14 2.6 Effect of Milling and Pearling of Wheat on Inhibition of Low-Density Lipoprotein (LDL) Oxidation 17 2.7 Influence of Milling and Pearling on Homediated Supercoiled DNA Scission by Wheat 19 2.8 Conclusions 20 CHAPTER 3 EFFECTS OF GENOTYPE, ENVIRONMENT AND GENOTYPE • ENVIRONMENT INTERACTION ON THE ANTIOXIDANT PROPERTIES OF WHEAT 24 3.1 Introduction 24 3.2 Genotype Effects 26 3.2.1 Total Phenolic Content 27 3.2.2 Phenolic Acid Composition 28 3.2.3 DPPH Scavenging Capacity 31 3.2.4 Superoxide Scavenging Capacities 31 3.2.5 Peroxyl Radical Scavenging Capacities 32 3.3 Environment Effects 32 3.4 Genotype by Environment Interaction Effects 33 3.5 Relative Contribution of G, E, and G • E Effects to Total Variation 35 3.6 Concluding Remarks 37 CHAPTER 4 CAROTENOID, TOCOPHEROL, LIGNAN, FLAVONOID, AND PHYTOSTEROL COMPOSITIONS OF WHEAT GRAIN AND ITS FRACTIONS 42 4.1 Introduction 42 4.2 Phytochemical Composition of Wheat 43 4.2.1 Polyphenols (Lignans, Flavonoids) 43 4.2.2 Carotenoids 46 4.2.3 Tocopherols and Tocotrienols 48 4.2.4 Phytosterols and Phytostanols 49 4.2.5 Antioxidant Activities and Health Benefits 49 4.3 Conclusion 52 CHAPTER 5 ANTIOXIDANT PROPERTIES OF WHEAT PHENOLIC ACIDS 54 5.1 Introduction 54 5.2 Phenolic Acid Contents in Wheat Grain and Fractions 54 5.3 Free Radical Scavenging Capacity of Wheat Phenolic Acids 59 5.4 Inhibitory Effect of Wheat Phenolic Acids on Lipid Peroxidation 64 5.5 Chelating Properties of Wheat Phenolic Acids 66 5.6 Other Antioxidant Activities of Wheat Phenolic Acids 66 5.7 Structure–Activity Relationship of Wheat Phenolic Acids 70 CHAPTER 6 EFFECTS OF POSTHARVEST TREATMENTS, FOOD FORMULATION, AND PROCESSING CONDITIONS ON WHEAT ANTIOXIDANT PROPERTIES 73 6.1 Introduction 73 6.2 Wheat Postharvest Treatments 74 6.2.1 Wheat Flour Milling 74 6.2.2 Pearling or Debranning 76 6.2.3 Storage of Wheat and Wheat Products 77 6.2.4 Other Postharvest Treatments 78 6.3 Food Formulations 79 6.4 Food Heat Processing 82 6.5 Summary 86 CHAPTER 7 ANTIOXIDANT PROPERTIES OF WHEAT-BASED BREAKFAST FOODS 88 7.1 Introduction 88 7.2 Whole Grains for Health & Wellness 88 7.3 Grains Classification and Consumption 89 7.4 Wheat Types, Morphology, and Composition 90 7.5 Role of Antioxidants in Wheat and Other Cereal Grains 90 7.6 Wheat Milling and Distribution of Antioxidants 91 7.7 Wheat-Based Breakfast Foods 92 7.8 Breakfast Meal Consumption and Demographics 92 7.9 Antioxidants in RTE Breakfast Cereals 93 7.10 Antioxidants and Bread Making 95 7.11 Conclusion 96 CHAPTER 8 EFFECTS OF EXTRACTION METHOD AND CONDITIONS ON WHEAT ANTIOXIDANT ACTIVITY ESTIMATION 100 8.1 Introduction 100 8.2 Extraction Methods and Conditions 101 8.2.1 Effects of Extraction Method 105 8.2.2 Effects of Extraction Conditions 106 8.3 General Considerations for Sample Preparation and Extraction 113 8.4 Extraction Condition Recommendations for Wheat Antioxidant Property Estimation 114 CHAPTER 9 METHODS FOR ANTIOXIDANT CAPACITY ESTIMATION OF WHEAT AND WHEAT-BASED FOOD PRODUCTS 118 9.1 Introduction 118 9.2 DPPH Radical Scavenging Capacity Assay 120 9.2.1 Principles and Background 120 9.2.2 Materials and Solutions Preparation 121 9.2.3 Discussion 124 9.3 ABTS Cation Radical (ABTS_+) Scavenging Capacity Assay 125 9.3.1 Principles and Background 125 9.3.2 Materials and Solutions Preparation 126 9.3.3 Measuring Procedure 127 9.3.4 Calculations 127 9.3.5 Discussion 128 9.4 Superoxide Anion Radical (O2__) Scavenging Capacity Assay 130 9.4.1 Principles and Background 130 9.4.2 Materials and Solutions Preparation 131 9.4.3 Procedure 131 9.4.4 Calculations 131 9.4.5 Discussion 132 9.5 Oxygen Radical Absorbing Capacity (ORAC) Assay 133 9.5.1 Principles and Background 133 9.5.2 Materials and Solutions Preparation 134 9.5.3 Calculations 135 9.5.4 Discussion 136 9.6 Hydroxyl Radical (_OH) Scavenging Capacity (HOSC) Assay for Hydrophilic Antioxidants 138 9.6.1 Principles and Background 138 9.6.2 Materials and Solutions Preparation 139 9.6.3 Calculations 140 9.6.4 Discussion 141 9.6.5 Other Reported Methods for Hydroxyl Radical Scavenging Capacity Estimation 142 9.7 Hydroxyl Radical Scavenging Capacity Assay for Lipophilic Antioxidants Using ESR 143 9.7.1 Principles and Background 143 9.7.2 Materials and Solutions Preparation 144 9.7.3 Procedure 144 9.7.4 ESR Parameters 144 9.7.5 Calculations 145 9.7.6 Discussion 146 9.8 Total Phenolic Contents Assay Using the Folin–Ciocalteu Reagent 147 9.8.1 Principles and Background 147 9.8.2 Procedure 148 9.8.3 Calculations 149 9.8.4 Discussion 149 9.9 Iron(II) Chelating Capacity Assay 150 9.9.1 Principles and Background 150 9.9.2 Procedure 153 9.9.3 Calculations 154 9.9.4 Discussion 154 9.10 Copper(II) Chelating Capacity Assay 155 9.10.1 Principles and Background 155 9.10.2 Materials and Solutions Preparation 156 9.10.3 Procedure 156 9.10.4 ESR Parameters 156 9.10.5 Discussion 158 9.11 Lipid Peroxidation Inhibition Assay (OSI) 158 9.11.1 Principles and Background 158 9.11.2 Results 160 9.11.3 Discussion 160 9.12 Low-Density Lipoprotein (LDL) Peroxidation Inhibition Assay 162 9.12.1 Principles and Background 162 9.12.2 Discussion 165 9.13 Conclusions 166 CHAPTER 10 APPLICATION OF ESR IN WHEAT ANTIOXIDANT DETERMINATION 173 10.1 Introduction 173 10.2 The Principles of ESR 174 10.3 The Application of ESR in Food Systems 176 10.4 ESR Determination of Wheat Antioxidants 179 10.4.1 Free Radical Scavenging Capacities of Wheat Antioxidants 179 10.4.2 Chelating Activity Against Cu2+ 184 10.4.3 Effects of Wheat Antioxidants on Lipid Peroxidation in Liposomes 185 CHAPTER 11 ANALYSIS OF TOCOPHEROLS AND CAROTENOIDS IN WHEAT MATERIALS USING LIQUID CHROMATOGRAPHY–MASS SPECTROMETRY TECHNOLOGY 190 11.1 Introduction 190 11.2 Terminology 193 11.3 Analysis of Tocopherols and Carotenoids by LC-MS Technology 193 11.3.1 Liquid–Liquid Extraction 194 11.3.2 Chromatographic Separation 197 11.3.3 LC–MS Interfaces and MS Detection 201 11.4 Summary 204 CHAPTER 12 QUANTIFICATION OF PHENOLIC ACIDS IN WHEAT AND WHEAT-BASED PRODUCTS 208 12.1 Introduction 208 12.2 Background 209 12.3 Chemicals and Equipments 209 12.4 Methods 210 12.4.1 Sample Preparation 1 210 12.4.2 Sample Preparation 2 According to the Protocol Reported by Kim et al. (Fig. 12.2) 211 12.4.3 HPLC Separation and Determination 213 12.5 Discussion 213 CHAPTER 13 EFFECTS OF WHEAT ON NORMAL INTESTINE 219 13.1 Introduction 219 13.2 Wheat Component Effects on Normal Intestinal Epithelial Cells in vitro 220 13.2.1 Background Information 220 13.2.2 Effects of Wheat Bran Extract on IEC-6 Cell Proliferation 222 13.2.3 Ferulic Acid and IEC-6 Cell Proliferation 224 13.3 Discussion 232 13.4 Conclusion 234 CHAPTER 14 WHEAT ANTIOXIDANTS AND CHOLESTEROL METABOLISM 236 14.1 Introduction 336 14.2 Wheat Antioxidants 236 14.2.1 Phenolic Acids 237 14.2.2 Carotenoids 237 14.2.3 Tocopherols 237 14.3 Wheat Antioxidant Properties 238 14.4 Cholesterol Homeostasis 239 14.5 Effects of Wheat Antioxidants on Cholesterol Metabolism 240 14.6 Summary 241 CHAPTER 15 WHEAT ANTIOXIDANT BIOAVAILABILITY 244 15.1 Introduction 244 15.2 Absorption Characteristics of Fluorescein In Vitro 245 15.3 Absorption Characteristics of Phenolic Acid In Vitro 247 15.3.1 FA and PCA 247 15.3.2 CA, CLA, GA, and RA 248 15.3.3 Artepillin C (AC) 249 15.4 Absorption Efficiency and Bioavailability of Phenolic Acid in Rats 251 15.5 Absorption Characteristics of Colonic Metabolites of Poorly Absorbed Polyphenols In Vitro 253 15.6 Current Knowledge and Status of the MCT-Mediated Transport System 256 15.6.1 Gastric Absorption 256 15.6.2 MCT Subtype Responsible for Transport of PAs and Microbial Metabolites of Polyphenols 256 15.6.3 Concept of Metabonutrients 257 15.7 Overview of Absorption and Bioavailability of Wheat Antioxidants: Future Studies 258 15.7.1 SRA, SPA, VA and PBA 258 15.7.2 Free, Soluble Conjugate, and Insoluble Bound PAs in Wheat 259 CHAPTER 16 WHEAT LIGNANS: PROMISING CANCER PREVENTIVE AGENTS 264 16.1 Introduction 264 16.2 Lignans and Cancer Prevention 266 16.2.1 Epidemiological and Clinical Studies 267 16.2.2 Experimental Animal Studies 267 16.3 Plausible Mechanisms of Lignans for Cancer Prevention 268 INDEX

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Book SynopsisQuantitative methods specifically tailored for the marine biologist While there are countless texts published on quantitative methods and many texts that cover quantitative terrestrial ecology, this text fills the need for the special quantitative problems confronting marine biologists and biological oceanographers. The author combines common quantitative techniques with recent advances in quantitative methodology and then demonstrates how these techniques can be used to study marine organisms, their behaviors, and their interactions with the environment. Readers learn how to better design experiments and sampling, employ sophisticated mathematical techniques, and accurately interpret and communicate the results. Most of this text is written at an introductory level, with a few topics that advance to more complex themes. Among the topics covered are plot/plotless sampling, biometrics, experimental design, game theory, optimization, time trends, modelingTrade Review"This book assists with this decision making process by providing an overview of a wide range of sampling and analytical methodologies used in marine biological studies, and indeed in other ecosystems". (The Geographical Journal, 1 March 2010) "The book is most appropriate for...students" (The Quarterly Review of Biology) Table of ContentsPreface xi Acknowledgments xiii Contributors xv 1. Biological Sampling Design and Related Topics 1 1.1 Profiling Methods and Underwater Techniques 1 1.1.1 Introduction 1 1.1.2 Profiling a Beach 1 1.1.3 Underwater Profiles 2 1.1.4 Underwater Techniques 3 1.2 Sampling Populations 5 1.2.1 Introduction 5 1.2.2 Sampling Design 8 1.2.3 Physical-Chemical Factors 9 1.2.4 Timing of Sampling 9 1.2.5 Size of the Sampling Area 9 1.2.6 Scale 9 1.2.7 Modus Operandi 10 1.2.8 Sample Size or Number of Sample Units Required 10 1.3 Quantitative Sampling Methods 14 1.3.1 Introduction 14 1.3.2 Table of Random Numbers 15 1.3.3 Quadrat Shape 16 1.3.4 Optimal Quadrat Size 17 1.3.5 Simple Random Sampling 19 1.3.6 Haphazard (Convenience, Accidental, Arbitrary) Sampling 19 1.3.7 Stratified Random Sampling 20 1.3.8 Systematic Sampling 21 1.3.9 Fixed Quadrats 23 1.3.10 Point Contact (Percentage Cover) 23 1.3.11 Line and Belt (Strip) Transects 24 1.3.12 Adaptive Sampling 25 1.3.13 Sequential Sampling 26 1.3.14 Rapid Sampling Methods 27 1.3.15 Introduction to Plotless Sampling 28 1.3.16 Best Guess or Estimation 28 1.3.17 Catch or Weight Per Unit Effort (CPUE) 28 1.3.18 Coordinate Lines 29 1.3.19 Cluster Sampling 29 1.3.20 Introduction to Distance Measurements 30 1.3.21 Nearest Neighbor and Point to Nearest Object 31 1.3.22 Point-Center Quarter or Point Quarter Method 33 1.3.23 Line Intercepts 36 1.3.24 Strong Method 38 1.3.25 Weinberg Method 39 1.3.26 Nishiyama Method 42 1.3.27 Mark (or Tag) and Recapture (Mark and Resight) Techniques 44 1.3.28 Visual Methods for Fishes 51 1.3.29 Narcotizing Agents and Poison Stations 52 1.4 Other Methods of Estimating the Abundance of Populations 52 1.4.1 Comparison of Estimated Populations with Other Methods 52 1.4.2 Removal Trapping or Collecting 52 1.4.3 Other Methods 53 1.4.4 Large Scale Sampling 56 2. Types of Data, Standardizations and Transformations, Introduction to Biometrics, Experimental Design 62 2.1 Introduction 62 2.2 Types of Data 63 2.3 Data Standardization or Normalization (Relativization) 64 2.4 Data Transformation 66 2.5 Statistical Distributions and Procedures 68 2.6 Descriptive Statistics (Sample Statistics) 75 2.7 Statistics with One or Two Variables 81 2.8 Experimental Design and Analysis 96 2.9 Power Analysis 100 2.10 Multiple Comparisons Tests 100 2.11 Nonparametric Tests, Covariance, Correlation, and Regression 102 2.12 Multivariate Statistics 109 2.13 Ranking Analysis (Nonparametric Correlation) 109 2.14 Randomization Methods 112 2.15 General Linear Programming 114 2.16 Maximum Likelihood 118 2.17 Bayesian Statistics 119 2.18 How to Lie with Statistics 122 3. Quantitative Methods in Field Ecology and Other Useful Techniques and Information 123 A. Introduction 123 3.1 Introduction 123 B. Population Patterns 123 3.2 Distributions (Dispersion) 123 3.3 Dispersal 127 3.4 Home Range 128 3.5 Random Walk 129 3.6 Feeding Ecology 131 C. Population Growth 132 3.7 Size-frequency Distribution 132 3.8 Growth of Individuals in a Population 133 3.9 Natality 133 3.10 Mortality 134 3.11 Construction of Life Tables 134 3.12 Population Dynamics Models 138 3.13 Population Growth and Productivity 141 3.14 Null Models 141 D. Diversity and Related Indices 142 3.15 Species Richness, Diversity, Evenness, and Dominance 142 3.16 Keystone Species 153 3.17 Homogeneity-Heterogeneity Indices 153 3.18 Niche Breadth 156 3.19 Niche Overlap 157 3.20 Concordance 159 E. Advanced Topics 160 3.21 Game Theory 160 3.22 Optimality or Optimization Models 162 3.23 Transition Matrices 162 3.24 Fractals 168 3.25 Deterministic Chaos 172 3.26 Artificial Neural Networks 175 3.27 Expert Systems 179 3.28 Digitization, Image Processing, Image Measurement, and Image Analysis or Pattern Recognition 180 3.29 Multimedia Development 186 3.30 Landscape Ecology 195 3.31 Aquatic Ecotoxicology 197 3.32 Coastal Zone Management 197 3.33 Conservation and Environment 197 3.34 Environmental Impact Assessments 198 3.35 Analysis of DNA/RNA Sequences 201 3.36 Fuzzy Logic 206 3.37 Meta-Analysis 207 4. Community Analyses: Similarity–Dissimilarity Indices, Cluster Analysis, Dendrograms, Analysis of Similarities, Indicator Species 209 4.1 Introduction 209 4.2 Methods of Handling Data 210 4.3 Measures of Similarity and Difference (Similarity and Dissimilarity) 211 4.4 Cluster Analysis 217 4.5 Species-Site Groups 226 4.6 Mantel Test 229 4.7 Analysis of Similarities 231 4.8 Indicator Species Analysis 233 5. Community Analysis: Ordination and Other Multivariate Techniques 237 5.1 Introduction 237 5.2 Principal Component Analysis 245 5.3 Factor Analysis (FA) 249 5.4 Redundancy Analysis 249 5.5 Correspondence Analysis (CA) or Reciprocal Averaging (RA) 249 5.6 Detrended Correspondence Analysis (DCA or Decorana) 249 5.7 Nonmetric Multidimensional Scaling (MDS, NMDS, NMS, NMMDS) 250 5.8 MANOVA and MANCOVA 252 5.9 Discriminant Analysis (DA) (Discriminant Function Analysis, Canonical Variates Analysis) 254 5.10 Principal Coordinate Analysis (PCoA) (Metric Multidimensional Scaling) 256 5.11 Canonical Correspondence Analysis (CCA) 256 5.12 Multiple Regression (MR) (Multiple Linear Regression) 258 5.13 Path Analysis 259 5.14 Canonical Correlation Analysis (CANCOR) 260 5.15 Canonical Variate Analysis (CVA) 260 5.16 Multi-Response Permutation Procedures (MRPP) 260 5.17 Other Multivariate Techniques 262 6. Time Trend Analysis 264 A. Introduction 264 6.1 Introduction 264 B. Time Series Analysis 264 6.2 Smoothing or Filtering Techniques 264 6.3 Serial Correlation (Auto- and Cross-Correlation) 266 6.4 Autoregression 274 C. Frequency Analysis 279 6.5 Frequency Analysis 279 7. Modeling and Systems Analysis 284 7.1 Introduction 284 7.2 Philosophy of Modeling 288 7.3 Model Components and Model Development 289 8. Marine Sampling and Measuring Devices 301 8.1 Introduction 301 8.2 Oceanographic Devices 301 8.3 Marine Bottom Sampling Devices 312 8.4 Marine Water Sampling Devices 333 8.5 Sampling Plankton, Bacteria and Viruses 346 8.6 Sampling Fishes 351 8.7 Sampling Reptiles, Birds and Mammals 352 8.8 Natural History Observations 354 Appendices 357 Addendum 376 References 380 Index 411

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Book SynopsisThis series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.

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Book SynopsisThis book gives an expert view of how the project management approach can be taken forward by the pharmaceutical industry over the next decade. The book integrates portfolio, program, and project management processes as fundamentals for effective and efficient drug product development.Table of ContentsPreface ix Acknowledgments xi About the Authors xiii Part One The Life Science Industry Context for Portfolio, Program, and Project Management 1. A Review of Project Management in Life Science Industry Sectors 3Thomas R. Dunson 2. The Impact of Organizational Size on Drug Project Management 21Eric Morfin 3. Drug Development in Biotechnology and How We Can Do It Better 33Susan Linna Part Two The Portfolio, Program, and Project Management Approaches and Processes 4. An Overview of the Organization and Processes of Portfolio, Program, and Project Management 53Pete Harpum 5. Portfolio Management in the Pharmaceutical Industry: Balancing Corporate Need with the Reality of Delivering Products to the Market 59John Bennett 6. Program Management in Drug Development 85Pauline Stewart-Long 7. Project Control 101Martin Powell 8. Managing Uncertainty in Drug Projects 135Pete Harpum and Thomas R. Dunson 9. Managing Drug Safety Risk 155Thomas R. Dunson and Eric Morfin 10. Developing Program Strategy 175Pete Harpum 11. Developing Products with “Added Value” 197Trevor J. Brown and Stephen Allport Part Three Integrating the Processes 12. Integrated Business Processes to Support Cross-Functional Drug Development 227Martin D. Hynes III 13. Integrated Drug Development: From Cradle to Grave and from Lab to Market 239Stephen Allport and Terry Cooke-Davies 14. The Development of P3M Capability in Drug Development Organizations 259John Arrowsmith, Patrick Grogan, and Bob Moore 15. Implementing Portfolio, Program, and Project Management Best Practices in Drug Development Organizations 287Pete Harpum, Ashley Jamieson, and Inge Fisher Bibliography 311 Index 313

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Book SynopsisAn invaluable troubleshooting tool,Microscopic Examination of the Activated Sludge Process addresses how to use the microscope and provides proper techniques for sample preparation. It explains how to relate and interpret observations and whether observing conditions are desirable or undesirable.Table of ContentsPreface. Part I: Overview. 1. Introduction. 2. Mixed Liquor Biota Food Chain. 3. Samples. 4. Safety. Part II: Microscopy. 5. Rationale for Microscopy. 6. The Microscope. 7. Microscopic Measurements. 8. The Stereoscopic Binocular Microscope. 9. Equipment and Supplies. 10. Wet Mounts and Smears. 11. Staining Techniques. 12. Dispersed Growth. Part III: The Bulk Solution. 13. Particulate Material. 14. Spirochetes. Part IV: Floc Particles and Foam. 15. Floc Particles. 16. Tetrads. 17. Zoogloeal Growth. 18. Foam. Part V: Protozoa. 19. Protozoa. 20. Relative Predominance of Bacteria and Protozoa. Part VI: Rotifers. 21. Rotifers. Part VII: Worms and Wormlike Organisms. 22. Free-Living Nematodes. 23. Gastrotriches. 24. Water Bears. 25. Bristleworms. 26. Bloodworms. 27. Sludge Worms. Part VIII: Crustaceans. 28. Copepods and Cyclops. 29. Water Fleas. 30. Ostracoda. Part IX: Filamentous Organisms. 31. Filamentous Organisms. Part X: Algae and Fungi. 32. Algae. 33. Fungi. Part XI: Collection, Evaluation, and Presentation of Observations. 34. Microscopic Set-up and Rating Tables. 35. Worksheets. 36. Report of Microscopic Examination. References. Abbreviations and Acronyms. Chemical Compounds. Glossary. Index.

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Book SynopsisFor years, operators have learned that they have little control over lagoon and fixed film sewage treatment systems.Trade Review"This richly illustrated, straightforward guide carries forth the legacy established by previous editions in the Wiley Wastewater Microbiology series by focusing attention on the mixed gathering of organisms cohabitating within a sequencing batching reactor (SBR), and the key roles their biology plays in this wastewater processing tank's function." (MyCFO, 23 March 2011) Table of ContentsPREFACE. PART I OVERVIEW. 1. Introduction. 2. SBR Cycles. 3. SBR Phases. 4. Sludge Wasting. PART II SUBSTRATE. 5. BOD. 6. COD. PART III TROUBLESHOOTING KEYS. 7. Introduction to Troubleshooting Keys. 8. Troubleshooting Nitrifi cation. 9. Troubleshooting Denitrifi cation. 10. Troubleshooting High Decant BOD. 11. Troubleshooting High Decant TSS. 12. Troubleshooting Undesired Changes in pH and Alkalinity. 13. Troubleshooting Foam and Scum Production. 14. Troubleshooting Low Dissolved Oxygen. PART IV BNR AND PHOSPHORUS REMOVAL. 15. Nutrients. 16. Biological Nutrient Removal. 17. Chemical Phosphorus Removal. 18. Biological Phosphorus Removal. PART V MONITORING. 19. Phases and Parameters. 20. ORP. 21. Microscopy. Bibliography. Glossary. Abbreviations and Acronyms. Index.

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Book SynopsisA step-by-step, integrated approach for successful, FDA-approved combination drug products Using a proven integrated approach to combination drug development, this book guides you step by step through all the preclinical, clinical, and manufacturing stages.Table of ContentsPreface xi Acknowledgments xiii Contributors xv 1 Overview of Combination Products Development and Regulatory Review 1 Evan B. Siegel 2 Detailed Regulatory Approaches to Development, Review, and Approval 5 James Barquest 2.1 Introduction 5 2.2 General Background 6 2.2.1 Definitions 6 2.2.2 FDA Organization and Jurisdiction 7 2.2.3 Clinical Investigation and Premarket Review Requirements for Drugs, Biological Products, and Medical Devices 11 2.2.4 FDA Information Resources 15 2.3 Combination Products: Regulatory Background 16 2.3.1 Definition 16 2.3.2 Intercenter Agreements 18 2.3.3 Office of Combination Products 19 2.3.4 Primary Mode of Action 20 2.3.5 Intended Use 30 2.3.6 Strategic Regulatory Considerations 31 2.3.7 The Request for Designation (RFD) Process 34 2.3.8 User Fees 44 2.3.9 FDA Meetings: Successful Regulatory Interactions 50 2.3.10 Current Good Manufacturing Practice for Combination Products 59 2.4 Postmarketing Considerations 67 2.4.1 Adverse Event Reporting 68 2.4.1.1 Device Malfunction Reporting (21 CFR 803.3(r)(2)(ii), 21 CFR 803.20) 68 2.4.1.2 Five-Day MDR Reporting (21 CFR 803.10(c)(2)(i)) 68 2.4.1.3 Drug and Biological Product “Alert” Reporting (21 CFR 314.80(c)(1) and 600.80(c)(1)) 73 2.4.1.4 Blood-Related Deaths (21 CFR 606.170) 73 2.4.2 Other Compliance Issues 73 References 74 3 Nonclinical Recommendations for Successful Characterization and Development of Combination Drug Products 77 Duane B. Lakings 3.1 Introduction 77 3.2 Pharmacology 79 3.2.1 Pharmacology and Safety Pharmacology Recommendations for CDPs with Multiple Marketed Drugs 80 3.2.2 Pharmacology and Safety Pharmacology Recommendations for CDPs with Marketed Drugs and a Single NME 83 3.2.3 Pharmacology and Safety Pharmacology Recommendations for CDPs with More Than One NME 83 3.3 Pharmacokinetics 84 3.3.1 Pharmacokinetic and Drug Metabolism Recommendations for CDPs with Multiple Marketed Drugs 89 3.3.2 Pharmacokinetic and Drug Metabolism Recommendations for CDPs with Marketed Drugs and a Single NME 91 3.3.3 Pharmacokinetic and Drug Metabolism Recommendations for CDPs with More Than One NME 91 3.4 Toxicology 92 3.4.1 Toxicology Recommendations for CDPs with Multiple Marketed Drugs 98 3.4.2 Toxicology Recommendations for CDPs with Marketed Drugs and a Single NME 102 3.4.3 Toxicology Recommendations for CDPs with More Than One NME 104 3.5 Conclusions 108 References 109 4 Clinical Pharmacology and Clinical Development of Combination Products 113 Chaline Brown 4.1 Introduction 113 4.2 Postapproval Clinical Safety Reporting 115 4.3 Clinical Development of Drug–Delivery System Combination Products 116 4.3.1 Advantages of a New Delivery Device Drug Product 117 4.3.1.1 Streamlined Regulatory Process Possible 117 4.3.1.2 Improvement in Efficacy over Previously Approved Delivery Routes 117 4.3.1.3 Noninjection Bioavailability for Peptides and Proteins 118 4.3.2 Considerations for a Combination Product with a Novel Delivery Route 119 4.3.2.1 Impact of Infusion Pumps on Pharmacodynamic Effects 119 4.3.2.2 Route-Dependent Pharmaceutical Metabolic Profile 119 4.3.2.3 Inherent Delivery Site Sensitivity 119 4.3.2.4 Addressing Concerns Regarding the Safety of Excipients in Novel Routes of Delivery 120 4.3.2.5 Addressing Concerns of Possible Immune System Reactions During Development 120 4.3.2.6 Addressing Effects Specific to Human Physiology During Development 120 4.3.2.7 Addressing Formulation Changes During Clinical Development 121 4.3.3 Case Study: Exubera® (Pfizer’s inhaled insulin, approved January 2006) 121 4.4 Clinical Development of Drug–Active Device Combination Products 127 4.4.1 Case Study: The Drug-Eluting Stent (DES) 128 4.4.2 Changing Scene for New DES Products 132 4.5 Clinical Development of Co-Packaged Combination Products 134 4.5.1 Co-Packaged Drug and Biologic Case Study: Interferon and Ribavirin for the Treatment of Hepatitis C 135 4.6 Clinical Development of Drug–In Vitro Diagnostic Combination Products 140 4.6.1 Retrospective Changes in Drug Labeling to Incorporate Genetic Tests 143 4.6.2 Prospective Co-Development of Drugs and In Vitro Diagnostics 144 4.6.3 Issues Surrounding Biomarker Development 146 4.6.4 Clinical Trial Design Issues in Drug–In Vitro Diagnostic Co-Development 147 4.6.5 FDA Guidance 149 4.6.6 Case Study: Herceptin® and HercepTest® 150 4.7 Clinical Development of Drug–Biologic Combination Products 153 4.7.1 Case Study 1: Mylotarg® (Monoclonal Antibody Linked to a Cytotoxic Drug) 154 4.7.2 Case Study 2: Bexxar® (Monoclonal Antibody Linked to a Radioisotope) 157 4.8 Clinical Development of Drug–Drug Combinations 160 4.8.1 General Considerations for FDC Efficacy Studies 162 4.8.2 Case Study: CombinatoRx, with Combination Therapy as a Business Model 163 4.9 Conclusion 165 References 165 5 Regulatory Strategy Considerations for Chemistry, Manufacturing, and Controls: An Integrated Approach 171 Patrick L. DeVillier 5.1 Introduction 171 5.2 Office of Combination Products (OCP) and Request for Designation (RFD) 172 5.3 Extent of Regulatory Oversight 173 5.4 Investigational Device Exemption and Investigational New Drug Exemption 174 5.5 Regulatory Compliant Product Development 175 5.6 Chemistry, Manufacturing, and Controls Review Requirements 177 5.7 Drug Component Requirements 178 5.8 Device Component Requirements 179 5.9 Sterilization Considerations 179 5.10 Stability Considerations 180 5.11 Bench Testing and Early Development Considerations 180 5.12 CDP Regulatory Cross-Mapping Guidance and Recommendations 181 5.13 Conclusions 200 References 200 List of Abbreviations 201 Index 205

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Book SynopsisVolume 1 of Organic Synthesis: State of the Art introduces the reader to this new and exciting series. The objective of the series is to focus and review the most important synthetic procedures developed over the last 2 years, and to provide an analysis of the significance and applications of those procedures.Trade Review"…an excellent survey of modern synthetic transformations." (Journal of Medicinal Chemistry, December 28, 2006) "...definitely a book to take on a long international flight to catch up on papers you may have missed." (Organic Process Research and Development Journal, July 2007)Table of ContentsPreface. 1. Transition metal-mediated reactions in organic synthesis. 2. Biotransformations in organic synthesis. 3. Catalytic Enantioselective Synthesis. 4. Enantioselective Synthesis of Borrelidin. 5. Enantioselective Ring Construction. 6. New Routes to Heterocycles. 7. Total Synthesis of the Galbulimima Alkaloid GB 13. 8. Total Synthesis of Ingenol. 9. Best Synthetic Methods: Functional Group Transformations. 10. New Methods for Carbon-Carbon Bond Formation. 11. Mini-Review: Organic Reactions in Ionic Liquids. 12. Adventures in Polycyclic Ring Construction. 13. Synthesis of the Mesotricyclic Diterpenoids Jatrophatrione and Citlalitrione. 14. Best Synthetic Methods: Functional Group Transformations. 15. The Grubbs Reaction in Organic Synthesis. 16. C-N Ring-Forming Reactions by Transition Metal-Catalyzed Intramolecular Alkene Hydroamination. 17. Synthesis of (+)-Phomactin A. 18. Enzymes in Organic Synthesis. 19. Adventures in Polycarbocyclic Construction. 20. Construction of Enantiomerically-Pure Heterocycles. 21. Best Synthetic Methods: Functional Group Transformations. 22. Synthesis of (+)-4,5-Deoxyneodolabelline. 23. New Methods for Carbon-Carbon Bond Formation. 24. Strategies for Enantioselective Synthesis. 25. Preparation of Cyclic Amines. 26. Enantioselective Total Synthesis of (+)-Amphidinolide T1. 27. Stereocontrolled Construction of Carbacycles. 28. “Organometallic” Coupling without the Metal! 29. Preparation of Enantiomerically-Pure Building Blocks. 30. Synthesis of (-)-Strychnine. 31. Pd-Mediated Coupling in Organic Synthesis: Recent Milestones. 32. Enantioselective C-C Bond Construction: Part One of Three. 33. Enantioselective C-C Bond Construction: Part Two of Three. 34. Enantioselective C-C Bond Construction: Part Three of Three. 35. Synthesis of (-)-Podophyllotoxin. 36. The Grubbs Reaction in Organic Synthesis: Part One of Three. 37. The Grubbs Reaction in Organic Synthesis: Part Two of Three. 38. The Grubbs Reaction in Organic Synthesis: Part Three of Three. 39. Synthesis of Deacetoxyalcyonin Acetate. 40. Enantioselective Ring Construction: Part One of Two. 41. Enantioselective Ring Construction: Part Two of Two. 42. Alkyne Metathesis in Synthesis: Syntheses of (+)-Ferrugine and Anatoxin-α. 43. Catalytic Asymmetric Synthesis of Quinine and Quinidine. 44. Best Synthetic Methods: Oxidation and Reduction. 45. Best Synthetic Methods: Enantioselective Oxidation and Reduction. 46. Asymmetric Nucleophilic Epoxidation. 47. Asymmetric Synthesis of Nitrogen Heterocycles. 48. Synthesis of Amphidinolide T1. 49. Enantioselective C-C Bond Construction: Part One of Two. 50. Enantioselective C-C Bond Construction: Part Two of Two. 51. Advances in Nitrogen Protection and Deprotection. 52. Enantioselective Synthesis of (+)-Tricycloclavulone. 53. Best Methods for C-C Bond Construction: Part One of Three. 54. Best Methods for C-C Bond Construction: Part Two of Three. 55. Best Methods for C-C Bond Construction: Part Three of Three. 56. Formation of Aromatic-Amino and Aromatic-Carbon Bonds. 57. Synthesis of the Dendrobatid Alkaloid 251F. 58. Enantioselective Construction of Aldol Products: Part One of Two. 59. Enantioselective Construction of Aldol Products: Part Two of Two. 60. Enantioselective α-Functionalization of Carbonyl Compounds. 61. Synthesis of (-)-Hamigeran B. 62. Catalytic C-C Bond-Forming Reactions. 63. Rare Sugars are now Readily Available Chiral Pool Starting Materials. 64. Alkyne Metathesis in Organic Synthesis. 65. Total Synthesis of (±)-Sordaricin. 66. Ru-Mediated Intramolecular Alkene Metathesis: Improved Substrate and Catalyst Design. 67. Heterocycle Construction by Grubbs Metathesis. 68. Natural Product Synthesis using Grubbs Metathesis: Lasubine II, Ingenol, and Ophirin B. 69. Synthesis of (-)-Tetrodotoxin. 70. Diastereoselective and Enantioselective Construction of Aza- Heterocycles. 71. Diastereoselective and Enantioselective Construction of Cyclic Ethers. 72. Synthesis of Heterocyclic Natural Products: (-)-Ephedradine A, (-)-α-Tocopherol, (-)-Lepadin D and (-)-Phenserine. 73. Protection of N- and O-Functional Groups. 74. Synthesis of (-)-Norzoanthamine. 75. Best Synthetic Methods: C-C Bond Formation. 76. Enantioselective Construction of Single Stereogenic Centers. 77. Enantioselective Construction of Arrays of Stereogenic Centers. 78. Synthesis of (-)-Brasilenyne. 79. Best Synthetic Methods: Functional Group Transformations. 80. Enantioselective Construction of Oxygenated and Halogenated Secondary Centers. 81. Enantioselective Construction of Aminated Secondary Centers. 82. Enantioselective Synthesis of the Polyene Antibiotic Aglycone Rimocidinolide Methyl Ester. 83. Enantioselective Transformations of Prochiral Rings. 84. Michael Reactions for Enantioselective Ring Construction. 85. Enantioselective Ring Construction by Intramolecular C-H Insertion and by Cycloaddition. 86. Best Synthetic Methods: Construction of Aromatic and Heteroaromatic Rings. 87. Enantioselective Synthesis of (+)-Epoxomycin. 88. Best Synthetic Methods: Functionalization of Aromatic and Heteroaromatic Rings. 89. Best Synthetic Methods: Oxidation. 90. Enantioselective Allylic Carbon-Carbon Bond Construction. 91. Synthesis of (+)-Cyanthawigin U. 92. Catalysts and Strategies for Alkene Metathesis. 93. N-Heterocycle Construction by Alkene Metathesis. 94. O-Heterocyclic Construction by Alkene Metathesis. 95. Alkene Metathesis in total synthesis: Valienamine, Agelastatin and Tonantzitlolone. 96. Total Synthesis of the Tetracyclines. 97. Enantioselective Construction of N-Heterocycles. 98. Stereocontrolled Construction of Cyclic Ethers. 99. Synthesis of the Proteosome Inhibitors Salinosporamide A, Omuralide and Lactacystin. 100. Synthesis of (-)-Sordaricin. 101. Recent Advances in Carbocyclic Ketone Construction. 102. Stereoselective Construction of Carbocyclic Rings. 103. Asymmetric Transformation of Prochiral Carbocyclic Rings.

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Book SynopsisAs one of the most promising technologies used to supply water to populations in arid regions, water desalination is a dynamically growing field. This book offers a far-reaching survey of the progress in the field, covering desalination science, technology, economics, energy considerations, environmental impact, and more.Trade Review“It is a key guide for professionals and researchers in water desalination and related areas including chemical, mechanical, and civil engineers, chemists, materials scientist, manufacturers of desalination membranes, water reuse engineers, and water authorities, as well as students in these fields.” (Biotechnol. Agron. Soc. Environ, 1 March 2013Table of ContentsPreface viiNoam Lior Introduction to the Book Series ixNoam Lior About the Authors xi 1. Water Desalination Revisited in Changing Physical and Economic Environments 1Yehia M. El-Sayed 2. Environmental and Performance Aspects of Pretreatment and Desalination Technologies 79Sabine Lattemann,∗ Sergio G. Salinas Rodriguez, Maria D. Kennedy, Jan C. Schippers, and Gary L. Amy 3. Economic Aspects of Water Desalination 197Amitzur Barak 4. Advances in Hollow-Fiber Reverse-Osmosis Membrane Modules in Seawater Desalination 309Atsuo Kumano 5. Adsorption–Desalination Cycle 377Anutosh Chakraborty, Kyaw Thu, Bidyut Baran Saha,∗ and Kim Choon Ng∗ 6. Advanced Instrumentation, Measurement, Control, and Automation (IMCA) in Multistage Flash (MSF) and Reverse-Osmosis (RO) Water Desalination 453Noam Lior,∗ Ali El-Nashar, and Corrado Sommariva Index 659

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Book SynopsisThe Chemistry of Organomagnesium Compounds, the newest volume in the critically acclaimed Patai Series, explores the compound of Magnesium. The field has seen steady progress, and a volume on this topic has long been overdue.Trade Review"This book continues the high standard of The Chemistry of Functional Groups series and is an essential resource for professional organic and inorganic chemists and their research groups who have an interest in organometallic chemistry. It could also prove useful in postgraduate teaching for designing a modern course on the subject. With the recent report of the first crystallographically characterized Mg - Mg bonded compound, this area is likely to increase in popularity and research activity; thus, the publication of this book is timely. A copy should be made available in every library that houses a section on advanced chemistry at the postgraduate level and above." (Journal of the American Chemical Society, November 12, 2008)Table of Contents1. Structural organomagnesium chemistry (Johann T.B.H. Jastrzebski, Jaap Boersma and Gerard van Koten). 2. The thermochemistry of organomagnesium compounds (Joel F. Liebman, Torkil Holm and Suzanne W. Slayden). 3. NMR of organomagnesium compounds (Peter J. Heard). 4. Formation, chemistry and structure of organomagnesium species in solvent-free environments (Richard A. J. O'Hair). 5. Photochemical transformations involving magnesium porphyrins and phthalocyanines (Natalia N. Sergeeva and Mathias O. Senge). 6. Electrochemistry of organomagnesium compounds (Jan S. Jaworski). 7. Analytical aspects of organomagnesium compounds (Jacob Zabicky). 8. Biochemistry of magnesium (James Weston). 9. Theoretical studies of the addition of RMgX to carbonyl compounds (Shinichi Yamabe and Shoko Yamazaki). 10. Organomagnesium-group 15-and Organomagnesium-group 16-bonded complexes (Katherine L. Hull and Kenneth W. Henderson). 11. Preparation and reactivity of Magnesium enolates (Claude Grison). 12. Functionalized organomagnesium compounds: Synthesis and reactivity (Paul Knochel, Andrey Gavryushin and Katja Brade). 13. Iron-Catalyzed reactions of Grignard Reagents (Gérard Cahiez and Christophe Duplais). 14. Carbomagnesiation reactions (Kenichiro Itami and Jun-ichi Yoshida). 15. The chemistry of organomagnesium ate complexes (Hideki Yorimitsu and Koichiro Oshima). 16. The chemistry of magnesium carbenoids (Tsuyoshi Satoh). 17. Catalytic enantioselective conjugate addition and allylic alkylation reactions using Grignard reagents (Fernando López, Adriaan J. Minnaard and Ben L. Feringa). Author Index. Subject Index.

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Book SynopsisQuantitative Chemical Analysis by Mass Spectrometry provides a serious introduction to the subject of mass spectrometry, providing the reader with the tools and information to be well prepared to perform such demanding work in a real-life laboratory.Trade Review"This work, well documented and easy to read, will without doubt delight teachers and researchers in analytical chemistry, permitting them to choose apparatus best suited to their analytical problems, to understand how to use them, and finally to put them to work in developing and validating quantitative methods in thev laboratory." (l'actualité chimique, October 2010)"There are many textbooks on the general principles and applications of mass spectrometry, but none of them cover these topics in such detail as the present book. … A valuable contribution to the mass spectrometry textbooks that are currently available, and is useful for both the neophyte and the specialist." (Analytical and Bioanalytical Chemistry, July 2009) "I highly recommend this book … to all those readers of this journal involved in quantitative analysis … Boyd, Basic, and Bethem provided us with a wealth of easy accessible information on this subject." (Journal of Statistical Software, January 2009) "Trace Quantitative Analysis by Mass Spectrometry is a wonderful book for beginner and intermediate students, analysts, and scientists keen on learning more about mass spectrometry. The authors' discussion of history and the evolution of relevant science make the text lively and engaging, no small achievement for a book about analytical science." (PharmTech.com, December 2, 2008)Table of ContentsPreface. Acknowledgements. 1 Measurement, Dimensions and Units. 1.1 Introduction. 1.2 The International System of Units (SI). 1.3 ‘Mass-to-Charge Ratio’ in Mass Spectrometry. 1.4 Achievable Precision in Measurement of SI Base Quantities. 1.5 Molecular Mass Limit for Trace Quantitation by Mass Spectrometry. 1.6 Summary of Key Concepts. 2 Tools of the Trade I. The Classical Tools. 2.1 Introduction. 2.2 Analytical and Internal Standards: Reference Materials. 2.3 The Analytical Balance. 2.4 Measurement and Dispensing of Volume. 2.5 Preparation of Solutions for Calibration. 2.6 Introduction to Calibration Methods for Quantitative Analysis. 2.7 Summary of Key Concepts. 3 Tools of the Trade II. Theory of Chromatography. 3.1 Introduction. 3.2 General Principles of Chemical Separations. 3.3 Summary of Important Concepts. 3.4 Plate Theory of Chromatography. 3.5 Nonequilibrium Effects in Chromatography: the van Deemter Equation. 3.6 Gradient Elution. 3.7 Capillary Electrophoresis and Capillary Electrochromatography. Appendix 3.1 Derivation of the Plate Theory Equation for Chromatographic Elution. Appendix 3.2 Transformation of the Plate Theory Elution Equation from Poisson to Gaussian Form. Appendix 3.3 A Brief Introduction to Snyder’s Theory of Gradient Elution. List of Symbols Used in Chapter 3. 4 Tools of the Trade III. Separation Practicalities. 4.1 Introduction. 4.2 The Analyte and the Matrix. 4.3 Extraction and Clean-Up: Sample Preparation Methods. 4.4 Chromatographic Practicalities. 4.5 Summary of Key Concepts. Appendix 4.1 Responses of Chromatographic Detectors: Concentration vs Mass–Flux Dependence. 5 Tools of the Trade IV. Interfaces and Ion Sources for Chromatography–Mass Spectrometry. 5.1 Introduction. 5.2 Ion Sources that can Require a Discrete Interface Between Chromatograph and Source. 5.3 Ion Sources not Requiring a Discrete Interface. 5.4 Source–Analyzer Interfaces Based on Ion Mobility. 5.5 Summary of Key Concepts. 5.1 Appendix 5.1: Methods of Sample Preparation for Analysis by MALDI. 6 Tools of the Trade V. Mass Analyzers for Quantitation: Separation of Ions by m/z Values. 6.1 Introduction. 6.2 Mass Analyzer Operation Modes and Tandem Mass Spectrometry. 6.3 Motion of Ions in Electric and Magnetic Fields. 6.4 Mass Analyzers. 6.5 Activation and Dissociation of Ions. 6.6 Vacuum Systems. 6.7 Summary of Key Concepts. Appendix 6.1 Interaction of Electric and Magnetic Fields with Charged Particles. Appendix 6.2 Leak Detection. Appendix 6.3 List of Symbols Used in Chapter 6. 7 Tools of the Trade VI. Ion Detection and Data Processing. 7.1 Introduction. 7.2 Faraday Cup Detectors. 7.3 Electron Multipliers. 7.4 Post-Detector Electronics. 7.5 Summary of Key Concepts. 8 Tools of the Trade VII: Statistics of Calibration, Measurement and Sampling. 8.1 Introduction. 8.2 Univariate Data: Tools and Tests for Determining Accuracy and Precision. 8.3 Bivariate Data: Tools and Tests for Regression and Correlation. 8.4 Limits of Detection and Quantitation. 8.5 Calibration and Measurement: Systematic and Random Errors. 8.6 Statistics of Sampling of Heterogeneous Matrices. 8.7 Summary of Key Concepts. Appendix 8.1 A Brief Statistics Glossary. Appendix 8.2 Symbols Used in Discussion of Calibration Methods. 9 Method Development and Fitness for Purpose. 9.1 Introduction. 9.2 Fitness for Purpose and Managing Uncertainty. 9.3 Issues Between Analyst and Client: Examining What’s at Stake. 9.4 Formulating a Strategy. 9.5 Method Development. 9.6 Matrix Effects. 9.7 Contamination and Carryover. 9.8 Establishing the Final Method. 10 Method Validation and Sample Analysis in a Controlled Laboratory Environment. 10.1 Introduction. 10.2 Method Validation. 10.3 Conduct of the Validaton. 10.4 Examples of Methods and Validations Fit for Purpose. 10.5 Validated Sample Analysis. 10.6 Documentation. 10.7 Traceability. 11 Examples from the Literature. 11.1 Introduction. 11.2 Food Contaminants. 11.3 Anthropogenic Pollutants in Water. 11.4 GC–MS Analyses of Persistent Environmental Pollutants. 11.5 Bioanalytical Applications. 11.6 Quantitative Proteomics. 11.7 Analysis of Endogenous Analytes. Epilog. References. Index.

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Book SynopsisA new perspective on the design of molecular therapeutics is emerging. This new strategy emphasizes the rational complementation of functionality along extended patches of a protein surface with the aim of inhibiting protein/protein interactions.Trade Review"This book picks up this trend and provides an excellent overview of the current topics in the field of PPI modulation by small molecules and peptides. . . Taken together, this excellent book is very suitable both as an introduction to the field, as well as a compendium for readers already familiar with the chemical approach of modulating PPIs." (ChemMedChem, 2011) Table of ContentsPreface. List of Contributors. PART I PRINCIPLES. 1 The Discovery and Characterization of Protein-Protein Interactions (C.W. Bertoncini, A. Higueruelo, and X. Salvatella). 1.1 Introduction. 1.2 Techniques to Identify Protein-Protein Interactions. 1.3 Techniques to Characterize Protein-Protein Interactions. 1.4 Structure and Dynamics of Protein Complexes. 1.5 Protein-Protein Complexes as Therapeutic Targets. 1.6 Conclusions. References. 2 Biophysics of Protein-Protein Interactions (Irene Luque). 2.1 Introduction. 2.2 Intermolecular Forces in Protein Recognition. 2.3 Basic Binding Thermodynamics. 2.4 Thermodynamically Driven Drug Design. 2.5 Measurement of Binding Energetics. 2.6 Structure-based Calculation of Protein Binding Energetics. 2.7 Interfacial Water Molecules in Protein Recognition. 2.8 The Linkage Between Binding and Conformational Equilibrium in Proteins. References. PART II APPROACHES. 3 On the Logic of Natural Product Binding in Protein-Protein Interactivity (James J. La Clair). 3.1 Introduction. 3.2 Structural Logic. 3.3 Functional Logic. 3.4 The Need for Programmers. 3.5 Compiling the NPPI Mapper. References. 4 Interface peptide inhibitors of PPIs (Mark W. Peczuh, and Richard T. Desmond). 4.1 Interface Peptides Defined. 4.2 Unmodified Peptides. 4.3 Modified Peptides. 4.4 Summary/Perspective. References. 5 Inhibition of Protein-Protein Interactions by Peptide Mimics (Jorge Becerril, Johanna M. Rodriguez, Pauline N. Wyrembak, and Andrew D. Hamilton). 5.1 Introduction. 5.2 Inhibition of Calmodulin. 5.3 Inhibition of HIV-1 Fusion. 5.4 Inhibition of the Nuclear Estrogen Receptor. 5.5 Inhibition of the Bcl-xL/Bak Interaction. 5.6 Inhibition of the p53/MDM2 Interaction. 5.7 Miscellaneous Protein Targets. 5.8 Conclusion. References. 6 Discovery of Inhibitors of Protein-Protein Interactions by Screening Chemical Libraries (Carlos García-Echeverría). 6.1 Introduction. 6.2 Screening Strategies to Identify and Develop Antagonists of Protein-Protein Interactions. 6.3 Mimetics of Common Protein Structure Motifs and Structure-based Design of Peptidomimetics. 6.4 Conclusions and Outlook. References. PART III TECHNIQUES. 7 High-throughput Methods of Chemical Synthesis Applied to the Preparation of Inhibitors of Protein-Protein Interactions (Annaliese K. Franz, Jared T. Shaw, and Yuchen Tang). 7.1 Introduction. 7.2 Survey of High-throughput Organic Synthesis. 7.3 Synthesis of 'Peptide-Inspired' Compounds and Libraries. 7.4 Synthesis of 'Natural Product-Inspired' Compounds and Libraries. 7.5 Diversity Oriented Synthesis (DOS) in the Discovery of PPI Inhibitors. 7.6 Summary and Outlook. References. 8 In Silico screening (F.J. Luque, and Xavier Barril). 8.1 Introduction. 8.2 Methods for Virtual Ligand Screening. 8.3 Binding Site Characterization. 8.4 Case Studies. 8.5 Outlook and Conclusions. References. 9.1 In Vitro Screening: Screening by Nuclear Magnetic Resonance (Ernest Giralt). 9.1.1 Saturation Transfer Difference (STD). 9.1.2 STD in Fragment-based Drug Design. 9.1.3 Chemical Shift Perturbation (CSP). 9.1.4 19F-NMR in Molecular Recognition Studies. References. 9.2 In Vitro Screening: Methods of High-throughput Screening (Wenjiao Song and Qing Lin). 9.2.1 Introduction. 9.2.2 Statistical Evaluation of the HTS Assay Performance. 9.2.3 Biochemical Assays. 9.2.4 Cell-based Assays. 9.2.5 Conclusion. References. PART IV CASE STUDIES. 10 Case Study: Inhibitors of the MDM2-p53 Protein-Protein Interaction (Sanjeev Shangary, Denzil Bernard, and Shaomeng Wang). 10.1 MDM2-p53 Protein-Protein Interaction: A Case Study. 10.2 Regulation of p53 by the MDM2-p53 Protein-Protein Interaction. 10.3 Structural Basis of the MDM2-p53 Interaction. 10.4 Design of p53-based Peptides. 10.5 Design of Nonpeptidic Small-Molecule Inhibitors of the MDM2-p53 Interaction. 10.6 Challenges in the Design of Small Molecule Inhibitors of the MDM2-p53 Interaction. 10.7 Reactivation of p53 by Inhibitors of the MDM2-p53 Interaction. 10.8 Development of MDM2 Inhibitors and New Anticancer Drugs. 10.9 Concluding Remarks. References. 11 Case Study: The Discovery of Potent LFA-1 Antagonists (Tom Gadek). 11.1 Introduction. 11.2 Structural, Molecular and Cellular Biologies of LFA-1. 11.3 The Search for Small Molecule LFA-1 Antagonists. 11.4 Screening Assays. 11.5 Lead Identification and Optimization. 11.6 Protein and Small Molecule Structure Activity Relationships (PSAR) in the LFA-1/ICAM-1 Interaction. 11.7 Summary. References. Index.

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Book SynopsisMetal Enolates form a class of compounds that have recently received much study because of their part in the important C-C-bond forming aldol reaction. Focusing on this important class of compounds in organic synthesis, The Chemistry of Metal Enolates features contributions on all aspects of Metal Enolate chemistry from the world?s leading experts. Delivering the exceptional quality that?s expected from the Patai Series, this text is essential reading for organic chemists.Trade ReviewChemical Abstracts ServiceTable of Contents1. General and theoretical aspects of the metal enolatesLuis R. Domingo and Juan Andrés 2. Molecular structure of metal enolatesKsenija Babiæ-Samardžija, Sofija P. Sovilj and Vladislava M. Jovanoviæ 3. Luminescence phenomena involving metal enolatesHermi Felinto Brito, Oscar Manoel Loureiro Malta, Maria Claudia França Cunha Felinto and Ercules Epaminondas de Sousa Teotonio 4. Thermochemical considerations of metal enolatesJoel F. Liebman and Suzanne W. Slayden 5. Synthesis of metal enolato complexesJosé Vicente 6. Coordination chemistry of metal enolato complexesJosé Vicente 7. Metal enolates as synthons in organic chemistryDaniel Stolz and Uli Kazmaier 8. Acid–base properties of enols and enolatesJason Eames 9. Redox chemistry and electrochemistry of metal enolatesGuido Pampaloni and Piero Zanello 10. Catalysis using β-diketonato metal complexesStephen A. Westcott 11. Biological aspects of metal enolatesLi-June Ming 12. Analytical aspects of metal enolatesEli Harlev, Shmuel Bittner and Jacob Zabicky 13. The chemistry of metal ynolatesMitsuru Shindo 14. Lanthanide enolates as nuclear magnetic resonance shift reagentsThomas J. Wenzel and Katelyn A. Provencher 15. Metal enolates in polymer science and technologyPhilippe Lecomte and Robert Jérôme 16. Structure and properties of d8 metal–dithiolene complexesPaola Deplano, M. Laura Mercuri, Angela Serpe and Luca Pilia 17. Deposition of metals and metal oxides by means of metal enolatesHeinrich Lang and Roy Buschbeck Author index Subject index

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Book Synopsis Offers a simple starting point to VPSEM, especially for new users, technicians and students containing clear, concise explanations Crucially, the principles and applications outlined in this book are completely generic: i.e. applicable to all types of VPSEM, irrespective of manufacturer. Information presented will enable reader to turn principles into practice Published in association with the Royal Microscopical Society (RMS) -www.rms.org.uk Table of ContentsContents Chapter 1 -A brief historical overview 1.1 Scanning electron microscopy 1.2 The development of imaging in a gas environment Chapter 2 -Principles of SEM 2.1 Introduction 2.2 Electron sources 2.3 Electron optics 2.4 Signals and detection 2.5 Practical aspects of electron beam irradiation 2.6 the sem in operation Chapter 3 -General principles of VP-ESEM: utilising a gas 3.1 Introduction 3.2 VP-ESEM instrumentation 3.3 Signal generation in a gas 3.4 Imaging with water vapour Chapter 4 -Imaging and analysis in the VP-ESEM: the influence of a gas 4.1 Introduction 4.2 Background to theoretical calculations 4.3 Which gas? 4.4 Exploring the gas path length 4.5 How much gas? 4.6 X-ray microanalysis in the VP-ESEM Chapter 5 -Imaging uncoated specimens in the VP-ESEM 5.1 Introduction 5.2 Electronic structure 5.3 Factors affecting secondary electron emission 5.4 The influence of the specimen on the system 5.5 Time- and temperature-dependent effects 5.6 imaging soft materials 5.7 Effects of ions on imaging 5.8 Imaging with a gas: summary Chapter 6 -A lab in a chamber – in situ methods in VP-ESEM and other applications 6.1 Introduction 6.2 Nanocharacterisation of insulating materials 6.3 In situ experiments 6.4 Other applications

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Book SynopsisThe book is a technical guide for chemists and spectroscopists, and presents a concise description of magnetic circular dichroism (MCD) spectroscopy and how it has advanced the interpretation of molecular electronic spectra. Provides a practical guide to utilizing MCD spectroscopy for chemists starting in the field Written by an expert with over twenty years of experience in the field Helps the reader to visualize the optical spectroscopic effects presented by MCD measurements Includes practical considerations for experimental MCD measurements based on the author''s experience Written as a general discussion of the subject matter, with illustrative examples provided and discussed in the case studies to show the breadth of application of MCD measurements. Trade Review"This book provides an excellent practical guide for using MCD spectroscopy. The author successfully highlights the important features of chiroptical properties that are associated with the presence of a strong magnetic field … This book is highly recommended not only for those scientists who plan to actively study MCD spectroscopy in the near future, but also for scientists who wish to develop a deeper and more complete understanding of the field of optical spectroscopy." (Chirality, June 2008)Table of ContentsPreface. 1. Introduction. 2. Polarized Light. 3. Theoretical Framework: Definition of MCD Terms. 4. Measurement of MCD Spectra. 5. The Interpretation of MCD Spectra. 6. Case Studies I. Diamagnetic Systems: A and B terms. 7. Case Studies II. Paramagnetic Systems: C Terms. 8. Magnetic Vibrational Circular Dichroism (MVCD) and X-Ray magnetic Circular Dichroism (XMCD). 9. Magnetic Linear Dichroism Spectroscopy. Appendix A. tables for the Symmetry Group O and Td. Appendix B. Tables for the Fourfold Symmetry Group D4. Appendix C. Tables for the Threefold Symmetry Group D3. Appendix D. 3jm Factors for Single-Valued Irreps of the SO3 ⊃ O and O⊃ D4 Chains. Reviews and References. Index.

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Book SynopsisMicrofluidics-today's applications and tomorrow's potential Microfluidics has facilitated major biochemical application advancements in point-of-care diagnostics, bioterrorism detection, and drug discovery. There are numerous potential applications in biotechnology, pharmaceuticals, the life sciences, defense, public health, and agriculture.Trade Review"The book has a relatively comprehensive coverage of active areas in the field, and so would serve these markets well." (The Quarterly Review of Biology, September 2010) Table of ContentsPreface. Contributors. 1 Microfluidics. 1.1 Microfluidics. PART I CELL ANALYSIS ON MICROFLUIDIC DEVICES. 2 Using Microfluidics to Understand and Control the Cellular Microenvironment. 2.1 Introduction: Engineering the Microenvironment. 2.2 The Chemical Microenvironment. 2.3 The Mechanical Microenvironment. 2.4 Conclusion. 3 Microfabricated Devices for Cell Sorting. 3.1 Introduction. 3.2 Microfabricated Formats for Cell Sorting. 3.3 Outlook for the Future. 4 Advanced Microfluidic Tools for Single-Cell Manipulation and Analysis. 4.1 Introduction. 4.2 Fluidic Control. 4.3 Temperature Control. 4.4 Cell Manipulation. 4.5 Detection. 4.6 Integration. 4.7 Conclusions. 5 Engineering Cellular Microenvironments with Microfluidics. 5.1 Introduction. 5.2 Microfluidic Cultures can Simulate in vivo Microenvironments. 5.3 Other Useful Capabilities of Microfluidic Cell Culture Devices. 5.4 Microfluidic Devices Useful for Cell Applications Other than Culture. 5.5 Future Prospects for Biological Studies in Microfluidic Bioreactors. 6 Microfluidic Culture Platforms for Stem Cell and Neuroscience Research. 6.1 Introduction. 6.2 Applications for Stem Cell Research. 6.3 Applications for Neuroscience Research. 6.4 Summary and Future Directions. PART II ENZYMATIC AND NONENZYMATIC REACTIONS ON MICROCHIPS. 7 Microfluidics for Studying Enzyme Inhibition. 7.1 Enzyme Assays and Inhibition. 7.2 Microfluidic Assays for Enzymes and Enzyme Inhibition. 7.3 Enzyme Inhibition Studies in Microfluidic Devices: Specific Studies. 8 Chemical Synthesis within Continuous Flow Microreactors. 8.1 Introduction. 8.2 Advantages of Performing Chemical Synthesis in Microreactors. 8.3 Chemical Synthesis in Microreactors. 8.4 Large-Scale Manufacture Using Microreactors. 8.5 Conclusions. 9 Microfluidic Reactors for Sequential and Parallel Reactions. 9.1 Introduction. 9.2 Sequential Reactions in Microfluidic Devices. 9.3 Parallel Reactions in Microfluidic Devices. 9.4 Conclusions. 10 Gene Isolation, Gene Transformation, and Enzyme Reaction on a Chip. 10.1 Introduction. 10.2 DNA/RNA Isolation on a Microfluidic Chip. 10.3 Gene Ligation on a Microfluidic Chip. 10.4 Gene Transformation on a Chip. 10.5 Enzymatic Reaction on a Chip. 10.6 Summary and Perspective. PART III SEPARATIONS ON MICROCHIPS. 11 Chemical Monitoring in Complex Biological Environments Using Separation-Based Sensors in Chips. 11.1 Separation-Based Sensors. 11.2 Fast Separations with Separation-Based Sensors. 11.3 Micro Total Analysis Systems with Electrophoretic Separations for Monitoring of Biological Systems. 11.4 Miniaturization and Integration of Separation-Based Sensor Components. 12 Analytical Strategies Toward the Analysis of Phenolic Compounds (Capillary Electrophoresis and Microchip Capillary). Electrophoresis. 12.1 Introduction. 12.2 Experimental Section. 12.3 Results and Discussion. 12.4 Applications. 12.5 Conclusions. 13 Chemical Separations in 3D Microfluidics. 13.1 Introduction. 13.2 Fabrication. 13.3 Results and Discussion on 3D Valves. 13.4 Microfluidic Three-Dimensional Separation Columns. 13.5 Results on Liquid Chromatography. 13.6 Conclusions. 14 Enabling Fundamental Research in Proteomics. 14.1 Introduction. 14.2 Membrane Protein Extraction. 14.3 Conclusion. PART IV BIOMEDICAL APPLICATIONS OF MICROFLUIDICS. 15 Microengineering Neural Development. 15.1 Introduction. 15.2 Microengineering Guidance of Axons to their Targets. 15.3 Synaptogenesis on a Microfluidic Chip. 15.4 Conclusions. 16 Applications of Centrifugal Microfluidics in Biology. 16.1 Introduction. 16.2 Why Use Centrifugal Force for Fluid Manipulation? 16.3 How Centrifugal Microfluidic Platforms Work. 16.4 CD Applications. 16.5 Conclusions. 17 Microfluidic Techniques for Point-of-Care In Vitro Diagnostics. 17.1 Introduction. 17.2 Microfluidic Immunoassays. 17.3 Microfluidic Vias and Derivative Applications. 17.4 Conclusions. PART V MICROFLUIDIC FABRICATION STUDIES. 18 Fabrication of Polymeric Microfluidic Devices. 18.1 Introduction. 18.2 Glass- and Silicon-Based Materials. 18.3 Plastics and Polymeric Materials. 18.4 Approaches to Microfabrication. 18.5 Selected Microfabrication Techniques. 18.6 Conclusions. 19 Nano Fountain Pen: Toward Integrated, Portable, Lab-on-Chip Devices. 19.1 Introduction. 19.2 Nano Fountain Pen. 19.3 Protein Printing. 19.4 Enzyme Lithography. 19.5 Polymer Microlenses. 19.6 Conclusions. 20 Surface Engineering of Microfluidic Devices Using Reactive Polymer Coatings. 20.1 Introduction. 20.2 Microfluidics Surface Modification Techniques. 20.3 Conclusions. 21 Microchips Containing In Situ Patterned Polymeric Media for Biochemical Analysis. 21.1 Introduction and Scope. 21.2 General Information about Patterned Materials. 21.3 Photopatterned Materials for Protein Analysis. 21.4 DNA Purification and Analysis. 21.5 Patterned Materials for Cell Culture and Analysis. 21.6 Other Biomolecules. 21.7 Conclusions. PART VI HYBRID MICROFLUIDIC APPLICATIONS. 22 Coupling Electrochemistry to Microfluidics. 22.1 Introduction. 22.2 Electrochemical Methods of Analysis. 22.3 Microfluidic Devices. 22.4 Applications. 22.5 Conclusions and Future Directions. 23 Manipulating Mass-Limited Samples Using Hybrid Microfluidic/Nanofluidic Networks. 23.1 Introduction. 23.2 Nanofluidics. 23.3 Hybrid Microfluidic/Nanofluidic Systems. 23.4 Functionalized NCAMs. 23.5 The Future. 24 Magnetic Bead-based Methods to Study the Interaction of Teicoplanin with Peptides and Bacteria. 24.1 Introduction. 24.2 Experimental. 24.3 Results and Discussion. 24.4 Conclusions. Acknowledgments. 25 Interfacing Microchannel Electrophoresis with Electrospray Ionization Mass Spectrometry. 25.1 Introduction. 25.2 Electrospray Ionization. 25.3 Coatings. 25.4 Spray Emitters. 25.5 CE and ESI Electrode Connections. 25.6 Integrated Applications. 25.7 Conclusions. Index.

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Book SynopsisThis fascinating book draws its subject matter from a range of relevant disciplines that extend from molecular nutrition, nutritional sciences, and nutrition dietetics through to genetics, genomics, and anthropology.Table of ContentsPREFACE. ACKNOWLEDGMENTS. INTRODUCTION. Chapter 1—Defining Important Concepts. 1.1 Key Concepts in Molecular Biology for the Study of Human Nutrition. 1.2 The Inheritance of Genetic Packets of Information. 1.3 A Brief Overview of Evolutionary Biology and the Ascent of Man. 1.4 The –omics Revolution. Chapter 2—Molecular Mechanisms of Genetic Variation Linked to Diet. 2.1 A Brief History of the Human Diet. 2.2 The Role of Milk in Human Evolution. 2.3 Micronutrients and the Evolution of Skin Pigmentation. 2.4 Micronutrients Optimize Gametogenesis and Reproductive Fecundity. 2.5 Direct Dietary Selection of a Human Metabolomic Profile. 2.6 The Evolution of Taste as a Survival Mechanism. 2.7 The Mystery of Alcohol Dehydrogenase Polymorphisms and Ethanol Toxicity. 2.8 Evolution of Xenobiotic Metabolism in Humans. Chapter 3—Essential Nutrients and Genomic Integrity: Developmental and Degenerative Correlates. 3.1 Micronutrients and Genomic Stability and Function. Chapter 4—Nutrients and Cerebral Function in Human Evolution. 4.1 Human Encephalisation May be Linked to an Evolutionary Reduction in Gut Mass. 4.2 Weaning and Brain Development. 4.3 Micronutrients and the Cerebral Basis of Spirituality and Social Structure. 4.4 Pharmacotoxicology of Plants and Cultural Evolution. Chapter 5—The Evolution of Micronutrient Metabolism. 5.1 Antioxidants, Evolution, and Human Health. Chapter 6—Evolved Refinement of the Human Lifecycle Based on Nutritional Criteria. 6.1 Human Breast Milk—An Evolved Food. 6.2 Conflict between Parent and Offspring over Nutrient Requirements. 6.3 Natural Selection for Foraging Efficiency. 6.4 Evolution of Senescence. Chapter 7—The Evolution of Human Disease. 7.1 The Conflict between Agriculture and Ancestral Genes. 7.2 Obesity: A Chronic Plague of our Affluent Societies. 7.3 Prion Protein Locus and Human Evolution: The Link Between Variant Creutzfeld-Jakob Disease and Cannibalism. Chapter 8—Contemporary Dietary Patterns that Work: The Mediterranean Diet. 8.1 Tomatoes. 8.2 Olive Oil. 8.3 Red Wine. 8.4 Bioflavonoids. 8.5 Fish. Chapter 9—Some Non-Micronutrient Essential and Nonessential Nutrients with Molecular and Possible Evolutionary Impact. 9.1 Lecithins. 9.2 Lipid-Derived First Messengers—The Eicosanoids.1 9.3 Isoflavones—Genomic and Nongenomic Influence at the Estrogen Receptor. 9.4 Phytic Acid. Chapter 10—Natural Food Toxins and the Human Diet. 10.1 Dietary Zootoxins. 10.2 Dietary Phytotoxins. Chapter 11—Nutrigenomics. 11.1 What is Nutrigenomics? 11.2 Genetic Buffering Underpins Nutrigenomic Relationships. Chapter 12—The Evolution of Protein Function. Chapter 13—Leading Edge Laboratory Tools in Nutrigenomics and Human Evolutionary Studies. 13.1 Denaturing HPLC. 13.2 DNA Sequencing. 13.3 Nucleic Acid Microchip Techniques. 13.4 The Polymerase Chain Reaction. 13.5 Protein Mass Spectrometry. 13.6 Bioinformatics. References. Index.

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Book SynopsisThis book continues in this well-established series of works by presenting a comprehensive treatise on name reactions in homologation reactions.Trade ReviewApplied Organometallic ChemistryTable of ContentsForeword. Preface. Contributing Authors. Chapter 1: Organometallics. Section 1.1 Palladium Chemistry. Section 1.2 Organocopper Reagents. Section 1.3 Other Organometallic Reagents. Chapter 2: Carbon-Chain Homologations. 2.1 Arndt-Eistert homologation. 2.2 Morita-Baylis-Hillman reaction. 2.3 Benzoin condensation. 2.4 Corey-Fuchs reaction. 2.5 Henry reaction. 2.6 Horner-Wadsworth-Emmons reaction. 2.7 Julia-Lythgoe olefination. 2.8 Knoevenagel condensation. 2.9 Mukaiyama aldol reaction. 2.10 Peterson olefination. 2.11 Sakurai allylation reaction. 2.12 Stetter reaction. 2.13 Wittig reaction. Chapter 3: Radical Chemistry. 3.1 Barton-McCombie deoxygenation. 3.2 Barton nitrite photolysis. 3.3 Sandmeyer reaction. 3.4 Wohl-Ziegler reaction. Appendixes. Appendix 1, Table of Contents for Volume 1: Name Reactions in Heterocyclic Chemistry. Appendix 2, Table of Contents for Volume 2: Name Reactions for Functional Group Transformations. Appendix 3, Table of Contents for Volume 4: Name Reactions for Homologations-2.

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Book SynopsisCo-authored by Nobel Laureatte, E.J. Corey, this book builds on the first volume on this topic by presenting a comprehensive treatise on name reactions in heterocyclic chemistry.Table of ContentsForeword viii Preface ix Contributing Authors xi Part 1 Three- and Four-Membered Heterocycles 1 Chapter 1 Aziridines and Epoxides 1 1.1 Blum Aziridine Synthesis 2 1.2 Gabriel-Heine Aziridine Isomerization 11 1.3 Shi Epoxidation 21 Part 2 Five-Membered Heterocycles 41 Chapter 2 Pyrroles and Pyrrolidines 41 2.1 Clauson-Kass Pyrrole Synthesis 42 2.2 Houben-Hoesch Acylation of Pyrroles 53 2.3 Overman Pyrrolidine Synthesis 60 2.4 Trofimov Synthesis of Pyrroles 72 Chapter 3 Indoles 83 3.1 Bischler-Möhlau Indole Synthesis 84 3.2 Borsche-Drechsel Cyclization 91 3.3 Buchwald-Hartwig Indole Synthesis 102 3 .4 Cadogan-Sundberg Indole Synthesis 112 3.5 Fukuyama Indole Synthesis 125 3.6 Gassman Oxindole Synthesis 133 3.7 Larock Indole Synthesis 143 3.8 Matinet Dioxindole Reaction 167 3.9 Mori-Ban Indole Synthesis 175 3.10 Sandmeyer Isatin Synthesis 187 3.11 Sommelet-Hauser Rearrangement 197 3.12 Stolle Oxindole Synthesis 207 Chapter 4 Furans and Ox azoles 213 4.1 Nierenstein Reaction 214 4.2 Davidson Oxazole Synthesis 221 4.3 Fischer Oxazole Synthesis 225 4.4 Japp Oxazole Synthesis 233 4.5 Schhllkopf Oxazole Synthesis 242 Chapter 5 Other Five-Mem be red Heterocycles 259 5. L Bamberger Imidazole Cleavage 260 5.2 Dimroth Triazole Synthesis 269 5.3 Finnegan Tetrazole Synthesis 278 5.4 Hantzsch Thiazole Synthesis 299 5.5 Huisgen Tetrazole Rearrangement 309 5.6 Knorr Pyrazole Synthesis 317 5.7 Pechmann Pyrazole Synthesis 327 Part 3 Six-Membered Heterocycles 337 Chapter 6 Pyridincs 337 6.1 Baeyer Pyridine Synthesis 338 6.2 Katrizky Pyridine Synthesis 347 Chapter 7 Quinolines and Isoquinolines 351 7.1 Betti Reaction 352 7.2 Bemthsen Acridine Synthesis 360 7.3 Lehmstedt-Tanasescu Reaction 368 7.4 Niementowski Quinoline Synthesis 376 7.5 Povarov Reaction 385 Chapter 8 Six-Membered Heterocycles 401 8.1 Balaban-Nenitzescu-Praill Reaction 402 8.2 Borsche Cinnoline Synthesis 420 8.3 Gutknecht Pyrazine Synthesis 430 8.4 Niementowski Quinazoline Synthesis 440 8.5 Pechmann Coumarin Synthesis 454 8.6 Robin son-Schöpf Condensation 470 8.7 Simonis Chromone Cyclization 477 8.8 Wesseley—Moser Rearrangement 487 8.9 Widman-Stoermer Cinnoline Synthesis 493 8.10 Wichterle Reaction 497 Chapter 9 Miscellaneous Name Reactions 515 9.1 ANRORC Mechanism 516 9.2 Boulton-Katritzky Rearrangement 527 9.3 Chichibabin Animation Reaction 539 9.4 Dimroth Rearrangement 554 9.5 Hantzsch Synthesis 591 9.6 Ortolcva-King Reaction 645 Appendixes Appendix 1, Table of Contents for Volume 1: Name Reactions in Heterocyclic Chemistry 651 Appendix 2, Table of Contents for Volume 2: Name Reactions for Functional Group Transformations 655 Appendix 3, Table of Contents for Volume 3: Name Reactions for Hornolegations-I 657 Appendix 4, Table of Contents for Volume 4; Name Reactions for Hornohgations-II 659 Appendix 5, Table of Contents for Volume 5: Name Reactions for Ring Formations 661 Subject Index 663

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Book SynopsisProviding an updated and expert overview of nuclear hormone receptors in drug metabolism and drug development, this book equips drug development scientists with an interdisciplinary understanding of these receptors and how to regulate them.Table of ContentsPreface. Abbreviations. Contributors. Chapter 1. Drug Metabolism: Significance and Challenges (Chandra Prakash and Alfin D.N. Vaz). 1.1. Introduction. 1.2. Phase I Drug Metabolizing Enzymes. 1.3. Phase II Conjugative Enzymes. 1.4. Drug Efflux Transporters. 1.5. Drug Uptake Transporters. 1.6. Challenges in Drug Metabolism. 1.7. Summary. 1.8. References. Chapter 2. Establishing Orphan Nuclear Receptors PXR and CAR as Xenobiotic Receptors (Tao Li, Junichiro Sonoda, and Ronald M. Evans). 2.1. Introduction. 2.2. Nuclear Receptor and Orphan Nuclear Receptor Superfamily. 2.3. Orphan Nuclear Receptors as Xenobiotic Receptors and Their Implications in Phase I Enzyme Regulation. 2.4. Perspectives. 2.5. References. Chapter 3. Nuclear Receptor-Mediated Regulation of Phase II Conjugating Enzymes (Olivier Barbier). 3.1. Introduction. 3.2. Phase II Drug Metabolizing Enzymes. 3.3. The Xenosensors CAR and PXR: 2 Masters Regulators of Phase II Metabolism. 3.4. AhR And Nrf2, Two Important Regulators of Phase II Enzymes. 3.5. PPARS and Phase II XMEs Regulation. 3.6. FXR/LXR and Phase II XMEs Regulation. 3.7. HNF and Phase II XMEs Regulation. 3.8. Regulation of Phase II Conjugating Enzymes by Steroid and Thyroid Receptors. 3.9. Concluding remarks and perspectives. 3.10. References. Chapter 4. Nuclear Receptor-Mediated Regulation of Drug Transporters (Oliver Burk). 4.1. Introduction. 4.2. Drug Transporters. 4.3. Induction of Drug Transporters by Activation of PXR and CAR. 4.4. Induction of Drug Transporters by Activation of PPARa. 4.5. Molecular Mechanism of PXR- and CAR-Dependent Drug Transporter Regulation. 4.6. Induction of Drug Transporter Expression and Drug Disposition. 4.7. Conclusions and Future Perspectives. 4.8. References. Chapter 5. Structure and Function of PXR and CAR (X. Edward Zhou and H. Eric Xu). 5.1. Introduction. 5.2. Structure and Function of PXR. 5.3. Structure and Function of CAR. 5.4. Concluding Remarks. 5.5. References. Chapter 6. Xenobiotic Receptor CoFactors and Coregulators (John Y. L. Chiang). 6.1. Regulation of PXR and CAR Nuclear Translocation. 6.2. Nuclear Receptor Coregulators and Epigenetic Regulation of Gene Transcription. 6.3. PXR and CAR Crosstalk with other Nuclear Receptors and Transcription Factors. 6.4. PXR and CAR Regulation of Lipid and Glucose Homeostasis. 6.5. Conclusion. 6.6. References. Chapter 7. Animal Models of Xenobiotic Nuclear Receptors and Their Utility in Drug Development (Haibiao Gong and Wen Xie). 7.1. Introduction. 7.2. PXR and CAR Loss-of-Function (Knock Out) Mouse Models. 7.3. PXR and CAR Gain-of-Function (Transgenic) Mouse Models. 7.4. Humanized Mouse Models. 7.5. Utility of Xenobiotic Mouse Models in Pharmaceutical Development. 7.6. Closing Remarks. 7.7. References. Chapter 8. Nuclear Receptors and Drug-Drug Interactions with Prescription Drugs and Herbal Medicines (Rommel G. Tirona and Richard B. Kim). 8.1. Introduction. 8.2. Prescription Drugs/Drug Classes Commonly Involved in Inductive Interactions. 8.3. Herbal Drug Medicines Commonly Involved in Inductive Interactions. 8.4. Pharmacology of Induction. 8.5. Clinical Aspects of Induction-Type Drug Interactions. 8.6. Inhibition of Nuclear Receptors in Clinical Drug Interactions. 8.7. Nuclear Receptor-Mediated Drug Side-Effects. 8.8. Perspectives. 8.9. References. Chapter 9. Genetic Variants of Xenobiotic Receptors and Their Implications in Drug Metabolism and Pharmacogenetics (Jatinder Lamba and Erin G. Schuetz). 9.1. PXR (Pregnane X Receptor) Background. 9.2. PXR Gene Structure. 9.3. PXR Alternative mRNAs. 9.4. Genetic Variants in PXR’s Exons and their Functional Consequences. 9.5. Genetic Variants In Introns 2-8 and the 3’-UTR of PXR and their Functional Consequences. 9.6. Resequencing Strategy for the PXR Promoter and Intron 1. 9.7. Genetic Variation in the PXR Promoter and 5’-UTR and its Functional Relevance. 9.8. Genetic Variation in PXR’s Intron 1 and its Functional Relevance. 9.9. In Silico Analysis for Functional Effect of SNPs in PXR’s Promoter, 5’-UTR and Intron 1. 9.10. SNPs in PXR’s Promoter and Intron 1 Affect Putative HNF Binding Sites. 9.11. PXR SNPs Have Been Associated with Intestinal and Hepatic Inflammation and Diseases. 9.12. PXR Structural Variation and other Genomic Features. 9.13. PXR Summary. 9.14. CAR-Background. 9.15. CAR Gene Structure. 9.16. CAR Alternatively Spliced RNAs. 9.17. CAR Genetic Variants (SNPs) and their Functional Consequences. 9.18. CAR Summary. 9.19. References. Chapter 10. Beyond PXR and CAR, Regulation of Xenobiotic Metabolism by Other Nuclear Receptors (Martin Wagner, Gernot Zollner, and Michael Trauner). 10.1. Introduction. 10.2. Farnesoid X Receptor. 10.3. Hepatocyte Nuclear Factor 4. 10.4. Vitamin D receptor. 10.5. Glucocorticoid Receptor. 10.6. Peroxisome Proliferator Activated Receptors. 10.7. Aryl Hydrocarbon Receptor (AhR). 10.8. Conclusions. 10.9. References. Chapter 11. Emerging Role of Retinoid-Related Orphan Receptor (ROR) and Its Crosst alk With LXR(Liver X Receptor) in the Regulation Of Drug-Metabolizing Enzymes (Taira Wada and Wen Xie). 11.1. Introduction. 11.2. Orphan Nuclear Receptor RORα. 11.3. A Potential Role of RORs in Xeno- and Endobiotic Gene Regulation. 11.4. LXR and its Regulation of Drug Metabolizing Enzymes. 11.5. A Functional Cross-Talk Between RORa and LXR in the Regulation of Xeno- and Endobiotic Genes. 11.6. Closing Remarks. Index.

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Book SynopsisPotassium chloride is a logical alternative to sodium chloride in water softening. Water Softening with Potassium Chloride provides a thorough overview of the process, the equipment, and the techniques used. Then it compiles diverse trade and technical data on water softening with potassium chloride so readers can make informed decisions. It documents the health and environmental consequences and benefits of using potassium chloride and includes a chapter with summaries of recent research projects and FAQs. This is a key reference for professional water treatment specialists, environmental science researchers, and others.Table of ContentsPREFACE xi ACKNOWLEDGMENTS xiii 1 WHAT IS POTASSIUM CHLORIDE? 1 Saskatchewan Potash History 2 Potash Mining 3 Solution Mining 9 Processing Potash Ore 13 Storage, Transportation, and Distribution of Potash 27 Potash Products 29 2 WHAT IS HARD WATER? 34 Definition of Hard Water 34 How Hard Water is Created 35 Problems Associated With Hard Water 37 How Hard Water is Measured 39 Uniform Degrees of Hardness 40 Types of Hardness 40 3 LOWERING WATER HARDNESS 43 Ion Exchange 44 Deionization or Demineralization 45 Reverse Osmosis 47 Distillation 49 Precipitation 50 4 THE ION EXCHANGE PROCESS 54 Synthesis and Structure of Ion Exchange Resins 55 Types of Ion Exchange Resins 56 Household Water Softening 57 Typical Household Water Softeners 59 Cocurrent and Countercurrent Regeneration 64 Mathematical Treatment of Ion Exchange Equilibria 66 Selectivity of Ion Exchange Reactions 75 5 BASIC CHEMISTRY OF ION EXCHANGE 78 The Building Blocks of Matter 78 Atomic and Molecular Weights 80 Cations and Anions 83 Chemical Reactions 84 6 OPERATION AND TYPES OF WATER SOFTENERS 86 Historical Methods of Regeneration 86 Operation of a Typical Water Softener 87 Common Sequences of Cycles 93 Types of Water Softeners 93 Sizing a Water Softener 96 7 POTASSIUM CHLORIDE REGENERANT FOR WATER SOFTENING 99 Alternate Regenerants 99 Potassium Chloride Regenerant 101 Initial Comparison of KCl and NaCl 102 Challenges When Using KCl as a Regenerant 110 Frequently Asked Questions 112 8 COMPARISON OF KCl AND NaCl AS REGENERANT 115 Definition of Terms 115 Theoretical Capacities of KCl and NaCl Regenerants 118 Calculation of Regeneration Efficiency 120 Sizing a Softener for Salt Efficiency 121 Implications for Salt Consumption 123 Total Salt Released to the Environment 127 Comparison of KCl and NaCl: Solubility 129 Comparison of KCl and NaCl: Speed of Dissolution 130 Comparison of KCl and NaCl: Capacity 132 Comparison of KCl and NaCl: Used and Unused Regenerant 135 Comparison of KCl and NaCl: Release of Chlorides to the Environment 138 Comparison of KCl and NaCl: Taste 139 Comparison of KCl and NaCl: Generation of Fines 144 Comparison of KCl and NaCl: Sodium Content of Softened Water 145 Comparison of KCl and NaCl: Potassium Content of Softened Water 154 Comparison of KCl and NaCl: Total Dissolved Solids 154 9 ENVIRONMENTAL CONSIDERATIONS 157 Potassium versus Sodium: Impact on Soil 159 Potassium versus Sodium: Impact on Septic Systems 162 Potassium versus Sodium: Impact on Sewage Treatment Systems 164 Potassium versus Sodium: Sewage Sludge 166 Potassium versus Sodium: Algae Growth 166 Potassium versus Sodium: Impact on Plants and Animals 169 Potassium versus Sodium: Use of Recycled Graywater 170 Recycling Regenerant Wastewater 171 Use of Regenerant Wastewater Studies at University of California, Davis 172 In Conclusion 177 10 POTASSIUM AND HUMAN HEALTH 183 Overview 183 Introduction 184 Cellular Physiology of Potassium 184 Potassium Balance 186 Defects in Potassium Elimination 188 Medical Conditions Related to Potassium Excess 189 Medical Conditions Related to Potassium Deficit 191 Indirect Role of Potassium in Health 199 Summary 200 11 ONGOING RESEARCH 209 Iron and Manganese Removal 209 Grade of KCl Regenerant 213 Cocurrent versus Countercurrent Regeneration 215 Portable Exchange Tanks 217 Research into Alternate Regenerants 220 APPENDIX 1 STANDARD TEST PROTOCOL FOR COMPARISON OF KCl AND NaCl REGENERANTS 223 Protocol Development 223 Standard Test Protocol 226 APPENDIX 2 LABORATORY DATA OBTAINED WITH THE STANDARD TEST PROTOCOL 233 APPENDIX 3 ACCELERATED MUSH TEST 243 Apparatus 243 Method 244 INDEX 245

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Book SynopsisOphir Falk and Henry Morgenstern have compiled a book that should be read by anyone who is serious about winning the war on terror. By painstakingly analyzing the empirical data, they help us better understand the nature of our enemies and why they employ these barbaric tactics. Most crucially, they offer important insights on how terrorism can be effectively confronted and ultimately defeated. In so doing, they have performed an invaluable service for all those who are committed to winning this crucial battle.Benjamin Netanyahu, Prime Minister of Israel FIRSTHAND ACCOUNTS AND ANALYSES FROM FRONTLINE PERSONNEL AND EXPERTS IN THE WAR AGAINST TERROR Based on U.S. and Israeli experiences and detailed interviews with frontline personnel, Suicide Terror enables policymakers, first responders, and students of homeland security to understand and deal with the growing threat of suicide terror. It analyzes recent suicide attacks as well as our current vulnerabilities and high-Table of ContentsPreface. Acknowledgments. Contributors. INTRODUCTION: OVERVIEW AND HISTORICAL ACCOUNT OF THE WEAPON (Ophir Falk). Background. Defining the Threat. Definition Criteria. Proposed Definitions. Analyses of Data. Overview. Endnotes. 1 THE GLOBAL JIHAD (Henry Morgenstern). Introduction: Where Is the Jihad Today? Do We Need to Know Why? The Meaning of Jihad for the Jihadists (Mujahedeen). The Origins and Evolution of the Global Jihad. Osama bin Laden and Dr. Ayman al-Zawahiri—The Al-Qaeda View of the Jihad. Support for the Global Jihad. Seminal Ideas and Movements that Have Led to the Global Jihad. Tauhid—The Oneness of God. Takfir. Jihad. Jahaliyyah. The Spread of the Jihad Across the World. Case Study of Jihad Development: Egypt. The Jihad in the United States. Toward a Legal Definition of Terrorism in the United States. Financing and Organization. The Jihad: Version 2.0. The Jihad’s Virtual 007. Real-Time Threat Example. Understanding Techno-Intelligence Signatures. Internet Activity and Terrorist Finance—Synergy in Cyberspace. The Global Jihad Has a New Home Base—The Internet. Conclusions. Appendix 1: Internet Sites and the Global Jihad. Appendix 2: Incidents in the United States since 9/11. Endnotes. 2 ISRAEL’S CONFRONTATION WITH SUICIDE TERRORISM (Amir Kulick). Background. Arab–Israeli Conflict. The First Circle: The Palestinian Suicide Bomber and His Motives. The Second Circle: The Organizational Wrapping. The Third Circle: The Social Wrapping. How Has Israel Confronted Suicide Terrorism? The Prevention Circle. The Delay Circle. The Consequence Mitigation Circle. The Intelligence Level. The Intelligence Challenge in the War on Suicide Terrorism. Israeli Intelligence. The Operational Level. The Evolution of Israel’s Responses to Suicide Terrorism—A Brief Historic Review. The Israeli Methods of Action. Targeted Killing. Passive Measures. Public Resilience. Deterring Suicide Bombers. Relevant Lessons for American Law Enforcement. Key Lessons Learned—Operative Level. Specific Lessons—Operational-Tactical Level. Summary and Conclusions. Endnotes. 3 THE EAGLE AND THE SNAKE: AMERICA’S EXPERIENCE WITH SUICIDE BOMBINGS (Yaron Schwartz). The Origins of Suicide Attacks Against the United States. Suicide Bombings in Iraq. The Insurgency: Who, Why, When, and How. The Role of Suicide Bombings. Assessing the Surge. The Impact of Iraq and Its Lessons. Future Threats and Suicide Terrorism. Endnotes. Bibliograhy. 4 THE INTERNATIONALIZATION OF SUICIDE TERRORISM (Ophir Falk and Hadas Kroitoru). Lebanon. Hezbollah. Hezbollah’s International Reach. The Iran–Hezbollah–al-Qaeda Connection. Hezbollah’s Direct Threat to U.S. Homeland. Sri Lanka. A History of Conflict. The Tamil Tigers and Suicide Terrorism. Consequences and Counterterrorism Efforts. Israel. Historical Background. A Decade and a Half of Suicide Terrorism. Misconceptions. From Deterrence to Prevention and Preemption. Relevance to U.S. Homeland Security. Operational Lessons. India. History of Conflict. India’s Experience with Suicide Terrorism. Turkey. Civil War and Civil Strife: The PKK’s Answer to the "Kurdish Question". Turkey’s Experience with Suicide Terror. Islamic Groups Step Up to the Plate. Turkish Counterterrorism Tactics. Lessons from Turkey’s Experience with Suicide Terrorism. Al-Qaeda. Establishing the "Base". Al-Qaeda Organization: Affiliates and Networks. Al-Qaeda Attacks. Al-Qaeda in Europe. Al-Qaeda in Southeast Asia. Consequences and Counterterrorism. The Future of al-Qaeda. Chechnya. History of Conflict. Chechen Separatists and Suicide Terrorism. Consequences and Counterterrorism. Summary and Conclusions—The Internationalization of Suicide Terrorism. Endnotes. 5 HIGH-RISK SCENARIOS AND FUTURE TRENDS (Ophir Falk). Scenario No. 1: Cyber and Physical Attack on Energy Distribution Systems. Description of Scenario. Vulnerability. Consequence. Means of Mitigation. Scenario No. 2: Attacks on and by Civilian Aircraft—Back to the Future. Description of Scenario. Vulnerability. Consequence. Means of Mitigation. Prosperity or Security in the Maritime Trade. Scenario No. 3: Dirty Bomb in Maritime Container. Description of Scenario. Vulnerability. Consequence. Means of Mitigation. Scenario No. 4: Blocking World Oil Transit by Sea (Ofer Israeli). Description of Scenario. Vulnerability. Consequence. Means of Mitigation. Scenario No. 5: PC Doomsday. Description of Scenario. Vulnerability. Consequence. Means of Mitigation. Scenario No. 6: Suicide Terrorist Attack on Subway Followed by a Suicide Terrorist Attack on Premises of a Level I Trauma Center (Shmuel C. Shapira). Description of Scenario. Vulnerability. Consequence. Means of Mitigation. Future Trends. Endnotes. 6 METHODS FOR CONFRONTING SUICIDE TERROR (William Cooper). Detection of Key Terrorist Activities. The Suicide Bomber. Detection of Terrorist Recruitment in the Community. Identifying Safe Houses and Planning Centers. Terrorist Means of Communication. Identifying Terrorist Transportation. Identifying Terrorist Financing. Identifying Paper Falsification. Land Attack Characteristics. Sea Attack Characteristics. Air Attack Characteristics. The Public and the Battle Against Terrorism. Legislation in the Battle Against Terrorism. Negotiation Tactics to Use in Incidents of Terror. Rules of Engagement. Response to Suicide/Homicide Bombers. Patrol Level Response. Operational Philosophy. Endnotes. 7 MEDICAL MANAGEMENT OF SUICIDE TERRORISM (Shmuel C. Shapira and Leonard A. Cole). Explosives. Effects and Management of Suicide Terrorism. Preparing for Suicide Terror Mass Casualty Incidents. Mass Casualty Incident Management. Pre-Hospital Management, Short Term. Pre-Hospital Management, Prolonged Term. Hospital Management of Suicide Terrorism. Conclusion. Endnotes. Index.

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Book SynopsisUnderstanding the growing complexities in environmental management and risk assessment involves four distinct disciplines: landscape ecology, environmental risk assessment, valuation of ecological goods and services, and environmental management decision processes.Table of ContentsPreface. Prologue. Table of Contents. Chapter 01. Introduction (Lawrence A. Kapustka and Wayne G. Landis). Chapter 02. Risk Assessment (Lawrence A. Kapustka). Chapter 03. Population, Habitat, and Ecological Systems (Lawrence A. Kapustka). Chapter 04. Relevance of Spatial and Temporal Scales to Ecological Risk Assessment (Alan R. Johnson and Sandra J Turner). Chapter 05. Quantitative Measures and Ecological Hierarchy (G. Darrel Jenerette and Jianguo Wu). Chapter 06. Bayesian Models in Assessment and Management (Jannicke Moe). Chapter 07. Linking Regional and Local Risk Assessment (Rosana Moraes and Sverker Molander). Chapter 08. Integrating Health in Environmental Risk Assessments (Kenneth L. Froese and Marla Orenstein). Chapter 09. Valuing Wildlands (Rebecca A. Efromson, Henriette I. Jager, and William W. Hargrove). Chapter 10. Predicting Climate Change Risks to Riparian Ecosystems in Arid Watersheds: The Upper San Pedro as a Case Study (Hector Galbraith, Mark D. Dixon, Juliet C. Stromberg, and Jeff T. Price). Chapter 11. Invasive Species and Environmental Risk Assessment (Greg Linder and Edward Little). Chapter 12. Landscape Non-indigenous Species Risk Assessment: Asian Oyster and Nun Moth Case Studies (Wayne G. Landis, Valerie C. Chen, Audrey M. Colnar, Laurel Kaminski, Goro Kushima and Ananda Seebach). Chapter 13. Ecological Risk Assessment of the Invasive Sargassum muticum for the Cherry Point Reach, Washington USA (Ananda Seebach, Audrey M. Colnar and Wayne G. Landis). Chapter 14. Integrated Laboratory and Field Investigations: Case Study—Assessing Contaminant Risk to American Badger (Dale J. Hoff, Deborah A. Goeldner, Michael J. Hooper). Chapter 15. Environmental Risk Assessment of Pharmaceuticals (Joanne Parrott, Alison Mclaughlin, David Lapen and Edward Topp). Chapter 16. Economic Analysis of Ecological Goods and Services (Ronald J. McCormick, James Pittman, and Timothy F. H. Allen). Chapter 17. Ecosystem Service Valuation Concepts and Methods (James Pittman and Ronald J. McCormick). Chapter 18. Metrics and Indices for Sustainable Social – Ecological Landscapes (Ronald J. McCormick). Epilogue.

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Book SynopsisVolume 5 in the Catalysts for Fine Chemical Synthesis series describes new procedures for the regio- and stereo-controlled transformations of compounds involving oxidation or reduction reactions. It describes a wide range of catalysts, including organometallic systems, biocatalysts and biomimetics.Table of ContentsCHAPTER 1: Industrial Catalysts for Regio- or Stereo- selective Oxidations and Reductions. A Review of Key Technologies and Targets. J. Whittall CHAPTER 2: Asymmetric Hydrogenation of Alkenes, Enones, Ene-esters and Ene-Acids 2.1: (S)-2,2'- Bis{[di(4-methoxyphenyl)phosphinyl]oxy}-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl as a Ligand for Rhodium-Catalysed Asymmetric Hydrogenation I. Gergely, C. Hegeds and J. Bakos. 2.2: Synthesis and Application of Phosphinite Oxazoline Iridium Complexes for the Asymmetric Hydrogenation of Alkenes F. Menges and A. Pfaltz. 2.3: Synthesis and Application of Heterocyclic Phosphine Oxazoline (HetPHOX) Iridium Complexes for the Asymmetric Hydrogenation of Alkenes F. Menges and P.G. Cozzi. 2.4: (R)-2,2',6,6'- Tetramethoxy-bis[di(3,5-dimethylphenyl)phosphino]-3,3'-bipyridine [(R)-Xyl-P-Phos] as a Ligand for Rhodium-Catalysed Asymmetric Hydrogenation of a-Dehydroamino Acids J. Wu and A.S.C. Chan. 2.5: (R,R)-2,3-Bis(tert-butylmethylphosphine)quinoxaline (Quinox P*) as a Ligand for Rhodium-Catalysed Asymmetric Hydrogenation of Prochiral Amino Acid and Amine Derivatives T. Imamoto and A. Koide. 2.6: Rhodium-Catalysed Asymmetric Hydrogenation of Indoles R. Kuwano and M. Sawamura. CHAPTER 3: Asymmetric Reduction of Ketones 3.1: (R,R)-Bis(diphenylphosphino)-1,3-diphenylpropane as a Versatile Ligand for Enantioselective Hydrogenations N. Dubrovina and A. Borner. 3.2: Synthesis of Both Enantiomers of 1-Phenylethanol by Reduction of Acetophenone with Geotrichum candidum IFO 5767 K. Nakamura, M. Fujii and Y. Ida. 3.3: Titanocene-Catalysed Reduction of Ketones in the Presence of Water. A Convenient Procedure for the Synthesis of Alcohols by Free-Radical Chemistry A. Rosales, J.M. Cuerva and J.E. Oltra. 3.4: Xyl-TetraPHEMP: A Highly Efficient Biaryl Ligand in the [Diphosphine RuCl2-diamine]-Catalysed Hydrogenation of Simple Aromatic Ketones P.H. Moran, J.P. Henschke, A. Zanotti-Gerosa and I C. Lennon. 3.5: N-Arenesulfonyl- and N-Alkylsulfamoyl-1,2-diphenylethylenediamine Ligands for Ruthenium-Catalysed Asymmetric Transfer Hydrogenation of Activated Ketones M.S. Stephan and B. Mohar. 3.6: The Synthesis and Application of BrXUPHOS: A Novel Monodentate Phosphorus Ligand for the Asymmetric Hydrogenation of Ketones M. Wills, Y. Xu, G. Docherty and G. Woodward. 3.7: In Situ Formation of Ligand and Catalyst: Application in Ruthenium-Catalysed Enantioselective Reduction of Ketones J. Wettergren and H. Adolfsson. 3.8: SYNPHOS and DIFLUORPHOS as Ligands for Ruthenium-Catalysed Hydrogenation of Alkenes and Ketones S. Jeulin, V. Ratovelomanana-Vidal and J-P. Genet. 3.9: An Arene Ruthenium Complex with Polymerizable Side-chains for the Synthesis of Immobilised Catalysts E. Burri, S.B. Wendicke, K. Severin. 3.10: Selective Reduction of Carbonyl Group in beta, gamma- Unsaturated alpha- Ketoesters by Transfer Hydrogenation with Ru-(para-cymene) (TsDPEN) M. Guo, D. Li, Y. Sun and Z. Zhang. 3.11: Preparation of Polymer-Supported Ru-TsDPEN Catalysts and their Use for the Enantioselective Synthesis of (S)-Fluoxetine L. Chai, Y. Li and Q. Wang. 3.12: Polymer-Supported Chiral Sulfonamide-Catalysed Reduction of B-Keto Nitrile: a Practical Synthesis of (R)-Fluoxetine G.Wang and G. Zhao. CHAPTER 4: Imine Reduction and Reductive Amination 4.1: Metal-Free Reduction of Imines: Enantioselective Bronsted Acid-Catalysed Transfer Hydrogenation using Chiral BINOL-Phosphates as Catalysts M. Rueping, E. Sugiono, C. Azap and T. Theissmann. 4.2: Metal-Free Bronsted Acid-Catalysed Transfer Hydrogenation: Enantioselective Synthesis of Tetrahydroquinolines M. Rueping , T. Theissmann and A. P. Antonchick. 4.3: A Highly Stereoselective Synthesis of 3a-Amino-23,24-bisnor-5a-cholane via Reductive Amination S. N. Khan, N.J. Cho and H-S. Kim. CHAPTER 5: Oxidation of Primary and Secondary Alcohols 5.1: Copper (II)-Catalysed Oxidation of Primary Alcohols to Aldehydes with Atmospheric Oxygen S. Jammi and T. Punniyamurthy. 5.2: Solvent-free Dehydrogenation of Secondary Alcohols in the Absence of Hydrogen Abstractors using Robinson's Catalyst G.B.W.L. Ligthart, R.H. Meijer, J. v. Buijtenen, J. Meuldijk, J.A.J.M. Vekemans and L. A. Hulshof. 5.3: 2-Iodoxybenzoic Acid (IBX)/ n-Bu4NBr/ CH2Cl2-H2O: a Mild System for the Selective Oxidation of Secondary Alcohols K. Kittigowittana, M. Pohmakotr, V. Reutrakul and C. Kuhakarn. CHAPTER 6: Hydroxylation, Epoxidation and Related Reactions 6.1: Proline-Catalysed a-Aminoxylation of Aldehydes and Ketones Y. Hayashi and M. Shoji. 6.2: Ru/ Silica* Cat* TEMPO(c)-Mediated Oxidation of Alkenes to a-Hydroxyacids R. Ciriminna and M. Pagliaro. 6.3: Catalytic Enantioselective Epoxidation of trans-Disubstituted and Trisubstituted Alkenes with Arabinose-Derived Ulose T.K. M. Shing, G.Y.C. Leung and T. Luk. 6.4: VO(acac)2/ TBHP-Catalysed Epoxidation of 2-(2-Alkenyl)phenols. Highly Regio- and Diastereo-selective Oxidative Cyclisation to 2,3-Dihydrobenzofuranols and 3-Chromanols A. Lattanzi and A. Scettri. 6.5: An Oxalolidinone Ketone Catalyst for the Asymmetric Epoxidation of cis-Olefins D. Goeddel and Y. Shi. 6.6: a-Fluorotropinone Immobilised on Silica: a New Stereoselective Heterogeneous Catalyst for Epoxidation of Alkenes with Oxone G. Sartori, A. Armstrong, R. Maggi, A. Mazzacani, R. Sartorio, F. Bigi and B. Dominguez-Fernandez. 6.7: Asymmetric Epoxidation Catalysed by Novel Azacrown Ether-Type Chiral Quaternary Ammonium Salts under Phase-Transfer Catalytic Conditions K. Hori, K. Tani, and Y. Tohda. 6.8: Enantioselective Epoxidation of Olefins using Phase-Transfer Conditions and [6-N-((S)-1,2,2-Trimethylpropyl)-5H-dibenz[c,e]azepinium] [rac-TRISPHAT] Salt as Catalyst J. Vachon, C. Perollier, A. Martinez and J. Lacour. 6.9: Catalytic Asymmetric Epoxidation of a,Unsaturated Esters Promoted by a Yttrium-Biphenyldiol Complex M. Shibasaki, H. Kakei and S. Matsunaga.. 6.10: Catalytic Enantioselective Epoxidation of a, -Enones with a BINOL-Zinc Complex A. Minatti and K.H. Dotz 6.11: Asymmetric Epoxidation of Phenyl 2-(3'-Pyridylvinyl) Sulfone using Polyleucine/ Hydrogen Peroxide Gel M. Pitts and J. Whittall. CHAPTER 7: Oxidation of Ketones to Lactones or Enones 7.1: Synthesis of 2-(Phosphinophenyl)pyridine Ligand and its Application to Palladium-Catalysed Asymmetric Baeyer- Villiger Oxidation of Prochiral Cyclobutanones K. Ito and T. Katsuki. 7.2: (D)-Codeinone from (D)-Dihydrocodeinone via the Use of Modified o-Iodoxybenzoic Acid (IBX) P. Mather and J. Whittall. CHAPTER 8: Oxidative C-C Coupling 8.1: Enantioselective Oxidative Coupling of 2-Naphthols Catalysed by a Novel Chiral Vanadium Complex N-S. Xie, Q-Z. Liu, Z-B. Luo, L-Z. Gong, A-Q. Mi and Y-Z. Jiang. 8.2: Catalytic Oxidative Cross-Coupling Reaction of 2-Naphthol Derivatives S. Habaue and T. Temma. 8.3: Oxidative Coupling of Benzene with a,-Unsaturated Aldehydes by Pd(OAc)2/ HPMoV/ O2 System T. Yamada, S. Sakaguchi and Y. Ishii. CHAPTER 9: Oxidation of Sulfides and Sulfoxides 9.1: The First Example of Direct Oxidation of Sulfides to Sulfones by an Osmate- Molecular Oxygen System B.M. Choudary, C. Reddy, V. Reddy, B.V. Prakash, M.L. Kantam and B. Sreedhar. 9.2: Selective Oxidation of Sulfides to Sulfoxides and Sulfones using Hydrogen Peroxide (H2O2) in the Presence of Zirconium Tetrachloride K. Bahrami. 9.3: WO3-30% H2O2-Cinchona Alkaloids: a New Heterogeneous Catalytic System for Asymmetric Oxidation and Kinetic Resolution of Racemic Sulfoxides V. V. Thakur and A. Sudalai. 9.4: Benzyl-4,6-isopropylidene-a-(D)-glucopyranoside, 2-deoxy-2-[[(2-hydroxy-3,5-di-tert-butylphenyl)methylene]amine] as a Ligand for Vanadium-Catalysed Asymmetric Oxidation of Sulfides R. Del Litto, G. Roviello and F. Ruffo. 9.5: Asymmetric Sulfoxidation of Aryl Methyl Sulfides with H2O2 in Water A. Scarso and G. Strukul

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Book SynopsisPractical Inductively Coupled Plasma Spectroscopy provides an up-to-date account of inductively coupled plasmas and their use in atomic emission spectroscopy and mass spectrometry. Specific applications of the use of these techniques are highlighted, including applications in environmental, food, and industrial analysis.Trade Review"…very well written, very easy to understand…and quite comprehensive in coverage in some of the newer available techniques and procedures." (Applied Spectroscopy, February 2006)Table of ContentsSeries Preface. Preface. Acronyms, Abbreviations and Symbols. About the Author. 1. Methodology for trace elemental analysis. 1.1 Introduction. 1.2 Analytical terms and their definition. 1.3 Units. 1.4 Calibration strategies. 1.5 Quality assurance and the use of certified reference materials. 2. Sample preparation for inductively coupled plasma spectroscopy. 2.1 Introduction. 2.2 Aqueous samples. 2.2.1 Liquid-liquid extraction. 2.2.2 Ion exchange. 2.2.3 Co-precipitation. 2.3 Solid samples. 2.3.1 Decomposition techniques. 2.3.2 Microwave digestion. 2.3.3 Dry ashing. 2.3.4 Fusion. 2.4 Extraction procedures. 2.4.1 Single extraction procedures. 2.4.2 Sequential extraction procedures. 2.4.3 Enzymatic digestion procedures. 3. Sample introduction for inductively coupled plasmas. 3.1 Introduction. 3.2 Nebulizers. 3.3 Spray Chambers and desolvation systems. 3.4 Discrete sample introduction. 3.5 Continuous sample introduction. 3.6 Hydride and cold vapour techniques. 4. The inductively coupled plasma and other sources. 4.1 Introduction. 4.2 Inductively coupled plasma. 4.3 Direct current plasma. 4.4 Microwave induced plasma. 4.5 Glow discharge. 5. Inductively coupled plasma - atomic emission spectroscopy . 5.1 Fundamentals of spectroscopy. 5.1.1 Origins of atomic spectra. 5.1.2 Spectral line intensity. 5.1.3 Spectral line broadening. 5.2 Plasma spectroscopy. 5.3 Spectrometers. 5.3.1 Sequential . 5.3.2 Simultaneous. 5.4 Detectors. 5.5 Interferences. 6. Inductively coupled plasma mass spectrometry. 6.1 Introduction. 6.2 Principle of operation. 6.2.1 Ion source: ICP. 6.3 Interface. 6.4 Mass spectrometer. 6.4.1 Quadrupole mass spectrometer. 6.4.2 Sector field mass spectrometer. 6.4.3 Ion trap mass spectrometer. 6.4.4 time-of-flight mass spectrometer. 6.5 Detector. 6.6 Interferences . 6.6.1 Isobaric interferences. 6.6.2 Molecular interferences. 6.6.3 Remedies for molecular interferences. 6.6.4 Non-spectral interferences: matrix-induced. 6.6.5 Remedies for non-spectral interferences. 6.7 Isotope Dilution Analysis. 6.8 Mass spectral interpretation. 7. Selected applications. 7.1 Forensic Science: Document analysis. 7.2 Industrial Analysis: Coal. 7.3 Clinical / Biological Analysis: Whole blood and urine . 7.4. Materials Analysis: Gadolinium Oxide. 7.5. Environmental Analysis: Soil . 7.6. Food Analysis: Milk products. 7.7. Pharmaceutical Analysis. 8. Further Information. 8.1 Recording of information in the laboratory. 8.2 Selected resources. 8.2.1 Keeping up-to-date. 8.2.2 Basic understanding of inductively coupled plasma spectroscopy (and related issues).. Appendix: Self assessment questions and responses. Responses to Self-Assessment Questions. Bibliography. Glossary of Terms. SI Units and Physical Constants. Periodic Table. Index.

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Book SynopsisThis book demonstrates how NMR relaxation can be applied for structural diagnostics of chemical compounds, recognition of weak intermolecular interactions, determinations of internuclear distances and lengths of chemical bonds when compounds under investigation can exist only in solutions. Written as a textbook for chemists, demanding little background in physics and NMR Its practical approach helps the reader to apply the techniques in the lab First book to teach NMR Relaxation techniques to chemists Trade Review"…appropriate for use in an advanced undergraduate or graduate level course on this topic...an excellent starting point for an investigator who would like to begin using relaxation-based NMR experiments." (Journal of Natural Products, January 2006) "Bakhmutov's book gives a relatively low-level introduction to relation measurements and their uses in describing dynamical processes…" (Journal of the American Chemical Society, May 25, 2005)Table of ContentsPreface. Chapter 1. How and why nuclei relax. 1.1. Nucleus in the magnetic field. 1.2. Spin-lattice and spin-spin nuclear relaxation. 1.2.1. Macroscopic magnetization: relaxation times T1 and T2. 1.3. Molecular motions as reason of nuclear relaxation. 1.3.1. Correlation times and activation energies of Molecular Motions. 1.3.2. Isotropic and anisotropic molecular motions. 1.4. Bibliography for Chapter 1. Chapter 2. How to measure the NMR relaxation times. 2.1. Exponential and non-exponential nuclear relaxation. 2.2. Measurements of spin-lattice relaxation times. 2.3. Measurements of selective and bi-selective T1 times. 2.4. Determinations of T1( and T2 times. 2.5. Preparation of samples for relaxation experiments. 2.6. Bibliography to Chapter 2. Chapter 3. Errors in Determinations of Relaxation Times. 3.1. Instrumental errors. 3.2. Incorrect parameters for T1, T2 measurements and T1, T2 calculations. 3.3 Coupled nuclear relaxation. 3.4. Chemical exchanges. 3.5. Bibliography to Chapter 3. Chapter 4. NMR relaxation by dipole-dipole and quadrupole interactions. 4.1. The intramolecular dipole-dipole relaxation: homo- and hetero-nuclear dipolar coupling and the spectral density function. 4.2. Haw to reveal the presence of the dipolar mechanisms. 4.2.1. NOE as a test for dipole-dipole nuclear relaxation. 4.2.2. Evaluations of the dipolar contributions from selective and non-selective T1 times. 4.3. Intermolecular dipole-dipole interactions. 4.4. Electric field gradients at quadrupolar nuclei. 4.5. Nuclear quadrupole coupling constant as a measure of the electric field gradient. 4.6. Quadrupole relaxation. 4.7. Bibliography to Chapter 4. Chapter 5. Relaxation by chemical shift anisotropy, spin-rotation relaxation, scalar relaxation of the second kind and cross-mechanisms. 5.1. Relaxation by chemical shift anisotropy. 5.2. Spin-rotation relaxation. 5.3. Interference mechanisms of nuclear relaxation. 5.4. The scalar relaxation of the second kind. 5.5 Bibliography to Chapter 5. Chapter 6. Nuclear relaxation in molecular systems with anisotropic motions. 6.1. Spin-lattice nuclear relaxation in ellipsoid molecules: Temperature dependences of T1times. 6.2. How to reveal anisotropic molecular motions in solutions. 6.3. Nuclear relaxation in the presence of correlation time distributions. 6.4. Bibliography to Chapter 6. Chapter 7. 1H T1 relaxation diagnostics in solutions. 7.1. Revealing weak intermolecular interactions by T1 time measurements in solutions. 7.2. T1 studies of exchanges in simple molecular systems. 7.3. Structural 1H T1 criterion. 7.4. Partially-relaxed NMR spectra. 7.5. Bibliography to Chapter 7. Chapter 8. Internuclear distances from the 1H T1 relaxation measurements in solutions. 8.1. X...H distances: metal - hydride bond lengths. 8.1.1. How to determine metal-hydride bond lengths by standard 1H T1 measurements. 8.1.2. Metal-hydride bond lengths by 1H T1sel and 1H T1min times measurements. 8.2. Proton-proton distances by standard T1 measurements. 8.3. H-H distances from T1sel / T1bis measurements. 8.4. H-H distances in intermediates. 8.5. Analyzing the errors in 1H T1 determinations of internuclear distances. 8.6. Bibliography to Chapter 8. 9. Chapter 9: Deuterium quadrupole coupling constants from 2H T1 relaxation measurements in solutions. 9.1. How to determine DQCC values. 9.2. DQCC values from the 2H T1 times measurements in solutions (fast motional regime). 9.3. DQCC values via 2H T1min measurements in solutions. 9.4. Errors in DQCC determinations. 9. 5. Bibliography to Chapter 9. Chapter 10. Spin-lattice 1H and 2H relaxation in mobile groups. 10.1. 1H T1 times and H-H distances in the presence of fast vibrations and librations. 10.2. 1H T1 times and H-H distances in the presence of fast rotational diffusion. 10.3. The spectral density function for high-amplitude librations. 10.4. 900-jumps in four-fold potential. 10. 5. Deuterium spin-lattice NMR relaxation in mobile molecular fragments. 10.6. Bibliography to Chapter 10. Chapter 11. Relaxation of other nuclei (than 1H and 2H) and specific relaxation experiments. 11.1. Chemical shift anisotropies and nuclear quadrupole coupling constants from T1 times of heavy nuclei in solutions. 11.2. Multinuclear relaxation approaches to complexation, association and H-bonding. 11.3. Na relaxation in solutions of complex molecular systems. 11. 4. Character of molecular motions from 17O and 2H T1 relaxation in solutions. 11.5. 2D T1 and T1( NMR experiments. 11.6. Chemical exchanges in complex molecular systems from 15N nuclear relaxation in solutions. 11.7. R1/R2 method. 11.8. Cross-correlation relaxation rates and structure of complex molecular systems in solutions. 11.9. Variable - field relaxation experiments. 11.10. Bibliography to Chapter 11. Chapter 12. Paramagnetic NMR relaxation. 12.1. Theoretical basics of the paramagnetic relaxation enhancement. 12.2. Paramagnetic relaxation rate enhancements in the presence of chemical exchanges. 12.3. Structural applications of paramagnetic relaxation rate enhancements. 12.4. Kinetics of ligand exchanges via paramagnetic relaxation rate enhancements. 12.5. Longitudinal electron relaxation time in paramagnetic centers from variable-high field NMR experiments. 12.6. Bibliography to Chapter 12. Concluding remarks. Subject Index.

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Book SynopsisThis book demonstrates how NMR relaxation can be applied for structural diagnostics of chemical compounds, recognition of weak intermolecular interactions, determinations of internuclear distances and lengths of chemical bonds when compounds under investigation can exist only in solutions.Trade Review"…appropriate for use in an advanced undergraduate or graduate level course on this topic...an excellent starting point for an investigator who would like to begin using relaxation-based NMR experiments." (Journal of Natural Products, January 2006) "…should be very useful to students and to researchers who use NMR." (CHOICE, September 2005)Table of ContentsPreface. 1. How and Why Nuclei Relax. 1.1. Nucleus in the magnetic field. 1.2. Spin-lattice and spin-spin nuclear relaxation. 1.2.1. Macroscopic magnetization: relaxation times T1 and T2. 1.3. Molecular motions as reason of nuclear relaxation. 1.3.1. Correlation times and activation energies of Molecular Motions. 1.3.2. Isotropic and anisotropic molecular motions. 1.4. Bibliography for Chapter 1. 2. How to Measure the NMR Relaxation Times. 2.1. Exponential and non-exponential nuclear relaxation. 2.2. Measurements of spin-lattice relaxation times. 2.3. Measurements of selective and bi-selective T1 times. 2.4. Determinations of T1( and T2 times. 2.5. Preparation of samples for relaxation experiments. 2.6. Bibliography to Chapter 2. 3. Errors in Determinations of Relaxation Times. 3.1. Instrumental errors. 3.2. Incorrect parameters for T1, T2 measurements and T1, T2 calculations. 3.3 Coupled nuclear relaxation. 3.4. Chemical exchanges. 3.5. Bibliography to Chapter 3. 4. NMR Relaxation by Dipole-Dipole and Quadrupole Interactions. 4.1. The intramolecular dipole-dipole relaxation: homo- and hetero-nuclear dipolar coupling and the spectral density function. 4.2. Haw to reveal the presence of the dipolar mechanisms. 4.2.1. NOE as a test for dipole-dipole nuclear relaxation. 4.2.2. Evaluations of the dipolar contributions from selective and non-selective T1 times. 4.3. Intermolecular dipole-dipole interactions. 4.4. Electric field gradients at quadrupolar nuclei. 4.5. Nuclear quadrupole coupling constant as a measure of the electric field gradient. 4.6. Quadrupole relaxation. 4.7. Bibliography to Chapter 4. 5. Relaxation by Chemical Shift Anisotropy, Spin-Rotation Relaxation, Scalar Relaxation of the Second Kind and Cross-Mechanisms. 5.1. Relaxation by chemical shift anisotropy. 5.2. Spin-rotation relaxation. 5.3. Interference mechanisms of nuclear relaxation. 5.4. The scalar relaxation of the second kind. 5.5 Bibliography to Chapter 5. 6. Nuclear Relaxation in Molecular Systems with Anisotropic Motions. 6.1. Spin-lattice nuclear relaxation in ellipsoid molecules: Temperature dependences of T1times. 6.2. How to reveal anisotropic molecular motions in solutions. 6.3. Nuclear relaxation in the presence of correlation time distributions. 6.4. Bibliography to Chapter 6. 7. 1H T1 Relaxation Diagnostics in Solutions. 7.1. Revealing weak intermolecular interactions by T1 time measurements in solutions. 7.2. T1 studies of exchanges in simple molecular systems. 7.3. Structural 1H T1 criterion. 7.4. Partially-relaxed NMR spectra. 7.5. Bibliography to Chapter 7. 8. Internuclear Distances from the 1H T1 Relaxation Measurements in Solutions. 8.1. X...H distances: metal - hydride bond lengths. 8.1.1. How to determine metal-hydride bond lengths by standard 1H T1 measurements. 8.1.2. Metal-hydride bond lengths by 1H T1sel and 1H T1min times measurements. 8.2. Proton-proton distances by standard T1 measurements. 8.3. H-H distances from T1sel / T1bis measurements. 8.4. H-H distances in intermediates. 8.5. Analyzing the errors in 1H T1 determinations of internuclear distances. 8.6. Bibliography to Chapter 8. 9. Deuterium Quadrupole Coupling Constants from 2H T1 Relaxation Measurements in Solutions. 9.1. How to determine DQCC values. 9.2. DQCC values from the 2H T1 times measurements in solutions (fast motional regime). 9.3. DQCC values via 2H T1min measurements in solutions. 9.4. Errors in DQCC determinations. 9. 5. Bibliography to Chapter 9. 10. Spin-Lattice 1H and 2H Relaxation in Mobile Groups. 10.1. 1H T1 times and H-H distances in the presence of fast vibrations and librations. 10.2. 1H T1 times and H-H distances in the presence of fast rotational diffusion. 10.3. The spectral density function for high-amplitude librations. 10.4. 900-jumps in four-fold potential. 10. 5. Deuterium spin-lattice NMR relaxation in mobile molecular fragments. 10.6. Bibliography to Chapter 10. 11. Relaxation of Nuclei Other Than 1H and 2H) and Specific Relaxation Experiments. 11.1. Chemical shift anisotropies and nuclear quadrupole coupling constants from T1 times of heavy nuclei in solutions. 11.2. Multinuclear relaxation approaches to complexation, association and H-bonding. 11.3. Na relaxation in solutions of complex molecular systems. 11. 4. Character of molecular motions from 17O and 2H T1 relaxation in solutions. 11.5. 2D T1 and T1( NMR experiments. 11.6. Chemical exchanges in complex molecular systems from 15N nuclear relaxation in solutions. 11.7. R1/R2 method. 11.8. Cross-correlation relaxation rates and structure of complex molecular systems in solutions. 11.9. Variable - field relaxation experiments. 11.10. Bibliography to Chapter 11. 12. Paramagnetic NMR Relaxation. 12.1. Theoretical basics of the paramagnetic relaxation enhancement. 12.2. Paramagnetic relaxation rate enhancements in the presence of chemical exchanges. 12.3. Structural applications of paramagnetic relaxation rate enhancements. 12.4. Kinetics of ligand exchanges via paramagnetic relaxation rate enhancements. 12.5. Longitudinal electron relaxation time in paramagnetic centers from variable-high field NMR experiments. Bibliography. Concluding Remarks. Index.

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Book SynopsisDrinking water policies and research are intimately linked. It is thanks to the scientific progress made over the last 25 years in identifying and controlling toxic products in drinking water that regulations have developed in such a way that the protection of public health from waterborne diseases has drastically improved. The integration of research outputs into the policy-making progress requires close cooperation among the scientific and policy communities, which is not always straightforward. Exchanges among scientific and policy-making communities are certainly representing key elements of progress for a better environmental protection. In this respect, analytical developments linked to drinking water are at the core of the science-policy debate. This book Analytical Methods for Drinking Water: Advances in Sampling and Analysis reflects this awareness in joining recent analytical developments with policy considerations. A first chapter gives an overview of EU and US Trade Review"This book, written by experts in the field…illustrates recent scientific advances…and will be of direct use to policy makers, water scientists, researchers, and analytical laboratories." (Journal of the American Water Resources Association, February 2006)Table of ContentsSeries Preface. Preface. List of Contributors. 1 DrinkingWater Regulations (Pierre Hecq, Adriana Hulsmann, Fred S. Hauchman, Jennifer L. McLain and Franz Schmitz). 1.1 EU Directive on Drinking Water – Past, Present and Future. 1.1.1 EU Water Legislation. 1.1.2 The Drinking Water Directives – Revision Processes. 1.1.3 Main Aspects of the Drinking Water Directives. 1.1.4 Revision of the DWD and WHO Guidelines. 1.1.5 Conclusions. 1.2 Drinking Water Regulations in the United States. 1.2.1 Introduction. 1.2.2 History of the Safe Drinking Water Act. 1.2.3 Development of Regulations. 1.2.4 Highlights of the Safe Drinking Water Act. 1.2.5 Implementation of Regulations. 1.2.6 Conclusions. 1.3 Standardization. 1.3.1 Introduction. 1.3.2 Requirements to be met by Laboratories and Analytical Methods. 1.3.3 Standardization in CEN TC 230 Water Analysis and ISO TC 147 Water Quality. 1.3.4 Development of Standards in ISO/TC 147. 1.3.5 Special Standards Development Procedures. 1.3.6 Drafting of Standards. 1.3.7 EU Requirements for Standard Methods. References. 2 Bromate Determination (A.-Hakim R. Elwaer, Philippe Quevauviller, K. Clive Thompson and Cameron W. McLeod). 2.1 Introduction. 2.2 Ion Chromatographic Methods. 2.2.1 Identification and Removal of the Main Interferences. 2.2.2 Sample Pre-treatment Automation. 2.3 Alternative Laboratory Methods. 2.3.1 Ion Chromatography / ICP-MS. 2.3.2 Ion Chromatography Spectrophotometry Detection. 2.3.3 Ion Pair Chromatography – Fluorescence Detection. 2.3.4 Flow Injection – ICP-MS. 2.4 Field-based Methods. 2.4.1 Spectrophotometric Method with Methylene Blue. 2.4.2 Flow Injection – Spectrophotometric Detection. 2.5 Stability of Bromate. 2.5.1 Effect of Water Matrix on Bromate Stability. 2.5.2 Stability of Bromate Species Immobilized on Alumina Microcolumns. 2.6 Interlaboratory Excercise for Bromate Determination. 2.7 Toxicity, Occurrence and Current Status of Bromate in Drinking Waters. References. 3 Lead Monitoring (Theo van den Hoven and Nellie Slaats). 3.1 Factors Determining the Lead Concentration in Drinking Water. 3.1.1 Sources of Lead in Drinking Water. 3.1.2 Factors Determining the Lead Concentration in Drinking Water. 3.2 Sampling of Lead in Drinking Water. 3.2.1 Available Sampling Procedures. 3.2.2 Definition of a ‘Representative Sample’. 3.2.3 Representative Sampling at an Individual Consumer’s Tap. 3.2.4 Lead Analyses in Tap Water. 3.3 Comparison of Sampling Procedures in the Field. 3.3.1 European Study. 3.3.2 Applied Sampling Procedures. 3.3.3 Characteristics of Test Areas. 3.3.4 Applied Test Procedures. 3.3.5 Performance Criteria of Sampling Protocols. 3.3.6 Representativeness of the Tested Protocols. 3.3.7 Reproducibility of the Tested Protocols. 3.3.8 Costs, Practicality and Consumer Acceptance. 3.3.9 Final Evaluation of Sampling Procedures. 3.3.10 Experience with the Monitoring Protocol in France. 3.4 Fit for Purpose Lead Monitoring Protocols. 3.4.1 The Requirements for Sampling and Monitoring Lead in Accordance with the DWD 98/83/EC. 3.4.2 Sampling and Monitoring Strategy. 3.4.3 Lead Monitoring Purposes. 3.5 Lead Levels in Drinking Water in Tap Water. 3.5.1 Overview of Lead Levels in Test Areas. 3.5.2 Effect of Water Composition. 3.5.3 Effect of Plumbing Materials. 3.5.4 Water Consumption. References. 4 Materials in Contact with Drinking Water (Jean Baron). 4.1 Parameters Used for the Control of Materials Effects. 4.1.1 Organoleptic Assessments. 4.1.2 General Hygiene Assessments. 4.1.3 Substances that Pose a Risk to Health. 4.1.4 Enhancement of Microbial Growth. 4.2 Test Procedure for Metallic Materials. 4.2.1 Introduction. 4.2.2 Metallic Materials. 4.2.3 Experiments within Conormative Research. 4.2.4 Discussion. 4.2.5 Conclusions. 4.3 Test Procedure for Cementitious Materials. 4.3.1 Introduction. 4.3.2 Technical Background. 4.3.3 Effect of Preconditioning and Migration Water. 4.3.4 Reproducibility Tests. 4.3.5 Effect of Preconditioning at Different Ageing Times. 4.3.6 Conclusions. References and Bibliography. Index.

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Book SynopsisEarly characterization of toxicity and efficacy would significantly impact the overall productivity of pharmaceutical R&D and reduce drug candidate attrition and failure.Trade Review?This book is highly recommended to active researchers in genomics and to the comparative and veterinary clinician or researchers looking for a focused review of the emerging discipline.? (The Veterinary Journal , August 2009) ?Overall, it provides excellent, up-to-date coverage of the application of genomics in drug development.? (Doody's Reviews, June 2009)Table of ContentsPreface xiii 1. Introduction: Genomics and Personalized Medicine 1Dimitri Semizarov 1.1. Fundamentals of Genomics 1 1.2. The Concept of Personalized Medicine 5 1.3. Genomics Technologies in Drug Discovery 8 1.4. Scope of This Book 13 References 20 2. Genomics Technologies as Tools in Drug Discovery 25Dimitri Semizarov 2.1. Introduction to Genomics Technologies 25 2.2. Gene Expression Microarrays: Technology 27 2.2.1. Standard Microarray Protocol 27 2.2.2. Monitoring the Quality of Input RNA for Microarray Experiments 29 2.2.3. Specialized Microarray Protocols for Archived and Small Samples 31 2.2.4. Quality of Microarray Data and Technical Parameters of Microarrays 33 2.2.5. Reproducibility of Expression Microarrays and Cross-Platform Comparisons 35 2.2.6. Microarray Databases and Annotation of Microarray Data 38 2.2.6.1. Target Identification 39 2.2.6.2. Disease Classification 39 2.2.6.3. Compound Assessment 40 2.3. Gene Expression Microarrays: Data Analysis 47 2.3.1. Identification of Significant Gene Expression Changes 47 2.3.2. Sample Classification and Class Prediction with Expression Microarrays 48 2.3.3. Pathway Analysis with Gene Expression Microarrays 49 2.3.4. Common Problems Affecting the Validity of Microarray Studies 56 2.4. Comparative Genomic Hybridization: Technology 57 2.5. Comparative Genomic Hybridization: Data Analysis 69 2.6. Microarray-Based DNA Methylation Profiling 76 2.7. Microarray-Based MicroRNA Profiling 80 2.8. Technical Issues in Genomics Experiments and Regulatory Submissions of Microarray Data 86 2.8.1. Study of a Drug’s Mechanism of Action by Gene Expression Profiling 87 2.8.2. Early Assessment of Drug Toxicity in Model Systems 88 2.8.3. Biomarker Identification in Discovery and Early Development 89 2.8.4. Patient Stratification in Clinical Trials with Gene Expression Signatures 90 2.8.5. Genotyping of Patients in Clinical Studies to Predict Drug Response 91 2.9. Conclusion 92 References 93 3. Genomic Biomarkers 105Dimitri Semizarov 3.1. Introduction to Genomic Biomarkers 105 3.2. DNA Biomarkers 109 3.2.1. DNA Copy Number Alterations 110 3.2.1.1. DNA Copy Number Alterations in Cancer 110 3.2.1.2. DNA Copy Number Alterations in Other Diseases 118 3.2.1.3. Identification of DNA Copy Number Biomarkers in Drug Discovery 119 3.2.2. Mutations 123 3.2.2.1. p53 Mutations 124 3.2.2.2. K-ras Mutations 125 3.2.2.3. EGFR Mutations 127 3.2.2.4. Bcr-abl and KIT Mutations 129 3.2.3. Epigenetic Markers 131 3.3. RNA Biomarkers 137 3.3.1. Gene Expression Biomarkers Validated as Diagnostic Tests 138 3.3.2. Other Examples of Gene Expression Biomarkers 142 3.4. Clinical Validation of Genomic Biomarkers 148 References 156 4. Fundamental Principles of Toxicogenomics 167Eric Blomme 4.1. Introduction 167 4.2. Fundamentals of Toxicogenomics 168 4.2.1. Principle of Toxicogenomics 169 4.2.2. Technical Reproducibility 170 4.2.3. Biological Reproducibility 174 4.2.4. Species Extrapolation 175 4.3. Analysis of Toxicogenomics Data 176 4.3.1. Compound-Induced Gene Expression Changes 177 4.3.2. Visualization Tools 181 4.3.3. Class Prediction 184 4.3.4. Network and Pathway Analysis 188 4.4. Practical and Logistic Aspects of Toxicogenomics 191 4.4.1. Species Considerations 191 4.4.2. Toxicogenomics Studies 194 4.4.2.1. Sample Considerations 194 4.4.2.2. Experimental Design in Toxicogenomics Studies 196 4.5. Toxicogenomics Reference Databases 199 4.5.1. Utility of Reference Databases in Toxicogenomics 199 4.5.2. Design and Development of Toxicogenomics Reference Databases 200 4.5.3. Existing Toxicogenomics Databases 203 4.5.3.1. Chemical Effects in Biological Systems (CEBS) 204 4.5.3.2. ArrayTrack® 206 4.5.3.3. Gene Expression Omnibus 206 4.5.3.4. ArrayExpress 207 4.5.3.5. DbZach 207 4.5.3.6. ToxExpress® 208 4.5.3.7. DrugMatrix® 208 4.6. Conclusion 208 References 209 5. Toxicogenomics: Applications to In Vivo Toxicology 219Eric Blomme 5.1. The Value of Toxicogenomics in Drug Discovery and Development 219 5.2. Basic Principles of Toxicology in Drug Discovery and Development 221 5.2.1. Preclinical Safety Assessment 221 5.2.1.1. Genetic Toxicology 222 5.2.1.2. Single-Dose Toxicity 223 5.2.1.3. Repeat-Dose Toxicity 223 5.2.1.4. Reproductive Toxicity 224 5.2.1.5. Carcinogenicity 225 5.2.2. Discovery Toxicology 226 5.3. Toxicogenomics in Predictive Toxicology 227 5.3.1. Prediction of Hepatotoxicity 229 5.3.1.1. Hepatotoxicity: an Important Toxicology Problem in Drug Discovery and Development 229 5.3.1.2. Predictive Genomic Models of Hepatotoxicity 230 5.3.1.3. Additional Toxicogenomics Approaches to Predict Hepatotoxicity 233 5.3.2. Prediction of Nephrotoxicity 235 5.3.2.1. Kidney as a Target Organ of Toxicity 235 5.3.2.2. Predictive Genomic Models of Nephrotoxicity 236 5.3.3. Prediction of In Vivo Carcinogenicity 237 5.3.3.1. Value Created by Toxicogenomics in the Assessment of Carcinogenicity 237 5.3.3.2. Predictive Genomic Models of Carcinogenicity 238 5.3.4. Gene Expression-Based Biomarkers in Other Tissues and the Promise of Hemogenomics 242 5.3.5. Integration of Toxicogenomics in Discovery Toxicology 244 5.4. Toxicogenomics in Mechanistic Toxicology 246 5.4.1. Toxicogenomics to Investigate Mechanisms of Hepatoxicity 250 5.4.2. Intestinal Toxicity and Notch Signaling 253 5.4.3. Cardiac Toxicity 256 5.4.4. Testicular Toxicity 260 5.5. Toxicogenomics and Target-Related Toxicity 265 5.5.1. Target Expression in Normal Tissues 266 5.5.2. Target Modulation 267 5.5.2.1. Genetically Modified Animals 268 5.5.2.2. Tool Compounds 268 5.5.2.3. Gene Silencing 269 5.6. Predicting Species-Specific Toxicity 271 5.7. Evaluation of Idiosyncratic Toxicity with Toxicogenomics 273 5.8. Conclusion 277 References 279 6. Toxicogenomics: Applications in In Vitro Systems 293Eric Blomme 6.1. Introductory Remarks on In Vitro Toxicology 293 6.2. Overview of Current Approaches to In Vitro Toxicology 294 6.3. Toxicogenomics in In Vitro Systems: Technical Considerations 300 6.3.1. Reproducibility 300 6.3.2. Genomic Classifiers 300 6.3.3. Testing Concentrations 301 6.3.4. Throughput and Cost 302 6.4. Proof-of-Concept Studies using Primary Rat Hepatocytes 303 6.5. Use of Gene Expression Profiling to Assess Genotoxicity 306 6.5.1. Toxicogenomics Can Differentiate Genotoxic Carcinogens from Nongenotoxic Carcinogens 307 6.5.2. Toxicogenomics Can Differentiate DNA-Reactive from Non-DNA-Reactive Compounds Positive in In Vitro Mammalian Cell-Based Genotoxicity Assays 307 6.5.3. Toxicogenomics Assays May Be Less Sensitive than the Standard Battery of In Vitro Genetic Toxicity Tests 308 6.6. Application of Gene Expression Profiling for In Vitro Detection of Phospholipidosis 309 6.7. Toxicogenomics in Assessment of Idiosyncratic Hepatotoxicity 312 6.8. Do Peripheral Blood Mononuclear Cells Represent a Useful Alternative In Vitro Model? 314 6.9. Current and Future Use of In Vitro Toxicogenomics 316 6.9.1. Improved Gene Expression Platforms 316 6.9.2. Standardization of Protocols and Experimental Approaches 316 6.9.3. Performance Accuracy 317 6.9.4. Battery of Gene Expression Signatures 317 6.9.5. Clear, Actionable Data Points 318 6.10. Conclusions 319 References 321 7. Germ Line Polymorphisms and Drug Response 329Dimitri Semizarov 7.1. Introduction to Germ Line Polymorphisms 329 7.2. Polymorphisms and Drug Response in Oncology 332 7.2.1. UGT1A1 Polymorphism and Response to Irinotecan 333 7.2.2. FGFR4 Polymorphism and Response to Chemotherapy 334 7.2.3. Mdr-1 Polymorphism and Response to Paclitaxel 335 7.2.4. DPD Polymorphisms and Response to 5-Fluorouracil 336 7.2.5. TPMT Variants and Response to Thiopurines 337 7.2.6. MTHFR Polymorphisms and Response to Chemotherapy 339 7.2.7. Tandem Repeat Polymorphisms in the TS Gene and Response to Drugs Targeting Thymidylate Synthase 340 7.2.8. Use of Cancer Cell Lines to Identify Predictive SNPs 342 7.3. Polymorphisms and Response to Anticoagulants 343 7.4. Polymorphisms in Neuroscience 345 7.5. Polymorphisms and Drug Response in Immunology 347 7.6. Polymorphisms and Response to Antiviral Agents 353 7.6.1. Anti-HIV Drugs 353 7.6.2. Interferon Therapy in Hepatitis B Treatment 356 7.7. Gene Copy Number Polymorphisms 357 7.8. Conclusion: Approaches to Identification of Polymorphisms as Predictors of Drug Response 360 7.8.1. Candidate Gene Approach 360 7.8.2. Genome-wide Approach 363 7.8.3. Pathway Approach 366 7.8.4. Use of Model Systems in Identification of Predictive Pharmacogenetic Markers 369 7.8.5. Comparison of Methodologies in the Context of Drug Discovery 373 References 375 8. Pharmacogenetics of Drug Disposition 385Anahita Bhathena 8.1. Introduction 385 8.2. Genes and Polymorphisms Affecting Drug Disposition 387 8.2.1. Drug-Metabolizing Enzymes 391 8.2.1.1. Cytochrome P450s 391 8.2.1.2. Flavin-Containing Monooxygenases 396 8.2.1.3. Arylamine N-Acetyltransferases 397 8.2.1.4. UDP-Glucuronosyltransferases 397 8.2.1.5. Sulfotransferases 399 8.2.2. Drug Transport Proteins 400 8.2.2.1. SLC Transporters 401 8.2.2.2. ABC Transporters 402 8.3. Genomic Biomarkers for PK Studies 403 8.3.1. Warfarin, CYP2C9, and VKORC1 403 8.3.2. Irinotecan and UGT1A1 404 8.4. Utility of PG-PK Studies in Early Clinical Trials 405 8.5. Limitations of PG-PK Studies 408 8.6. Genotyping Technologies 408 8.7. Conclusion 409 References 411 9. Overview of Regulatory Developments and Initiatives Related to the Use of Genomic Technologies in Drug Discovery and Development 423Eric Blomme 9.1. Introduction to Recent Regulatory Developments in the Genomic Area 423 9.2. FDA Guidance on Pharmacogenomic Data Submission 428 9.2.1. Voluntary Genomic Data Submission (VGDS) 428 9.2.2. Pharmacogenomic Data Submission 431 9.2.3. International Harmonization 432 9.3. Pharmacogenomic Data Submissions: Draft Companion Guidance 434 9.4. Drug-Diagnostic Co-development Concept Paper 436 9.5. Regulations for In Vitro Diagnostic Assays 439 9.5.1. General Overview of Regulatory Pathways for Devices in the U.S. 439 9.5.2. Draft Guidance for Industry, Clinical Laboratories, and FDA Staff on In Vitro Diagnostic Multivariate Index Assays 440 9.6. Biomarker Qualification 442 9.7. Current Initiatives Relevant to Pharmacogenomics 443 9.8. Future Impact of Genomic Data on Drug Development 444 References 447 Index 449

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Book SynopsisSustainable Stormwater Management introduces engineers and designers to ideas and methods for managing stormwater in a more ecologically-sustainable fashion. It provides detailed information on the design process, engineering details and calculations, and construction concerns.Table of ContentsPrologue: Habitat, Sustainability, and Stormwater Management xi Acknowledgments xiii 1 Rainwater as the Resource 1 1.1 The Water Balance as a Guide for Sustainable Design 1 1.2 The Water Balance by Region 7 1.3 Arid Environments: The Southern California Model 11 The Energy Demand for Water in Southern California 13 1.4 The Altered Water Balance and Hydrologic Impacts 16 Imperviousness 16 Increased Volume of Runoff 20 1.5 The Impacts of Development on the Hydrologic Cycle 24 Reduced Groundwater Recharge 24 Reduced Stream Base Flow 25 Altered Stream Channel Morphology 26 Water Supply Impacts 26 1.6 The Historic Approach: Detention System Design 27 1.7 Stormwater Volume Methodologies 30 2 Stormwater Hydrology and Quality 33 2.1 Overland Flow: The Beginning of Runoff 33 2.2 Regional Hydrology 35 Wetlands 36 First-Order Streams 38 2.3 Stormwater Volume 39 2.4 The Water Quality Impacts of Land Development 40 Increased Pollutants in Urban Runoff 43 2.5 The Chemistry of Urban Runoff Pollution 44 2.6 Understanding Pollutant Transport in Stormwater 47 Stormwater Quantity and Quality 47 Particulates 48 Solutes 49 3 Land as the Resource 51 3.1 Historic Patterns of Land Development 51 3.2 Sustainable Site Design 58 3.3 Watershed Setting and Physical Context 58 3.4 Smart Growth Issues 59 Changes Related to Development 59 3.5 Conflict between Desired Land Use and Sustainability 61 3.6 Physical Determinants of Land Development 62 Geology 62 Physiography 65 Topography 66 Soil and Subsurface Conditions 67 3.7 Urban Communities with Combined Sewer Overflows 68 End of the Sewer 71 Other Urban Infrastructure 73 3.8 The Living Building and Zero Net Water Use 74 4 The Planning Process for LID 79 4.1 Sustainable Site Planning Process with Stormwater Management 79 Guideline 1: Understand the Site 79 Guideline 2: Apply LID Conservation Design 80 Guideline 3: Manage Rainfall Where It Originates 81 Guideline 4: Design with Operation and Maintenance in Mind 83 Guideline 5: Calculate Runoff Volume Increase and Water Quality Impacts 85 4.2 Overview of the Site Design Process for LID 86 5 The Legal Basis for LID: Regulatory Standards and LID Design Criteria 95 5.1 The Land–Water Legal Process 95 Common Law 95 Federal Water Quality Law 96 Federal Land Use Law 97 5.2 The Evolution of Land Development Regulation 98 5.3 The Regulatory Framework 100 Pennsylvania Land Use Law 101 Pennsylvania Water Law 102 California Land Use Law 103 California Water Law 104 5.4 Stormwater Management Regulations 105 Volume Control 105 Volume Control Criteria 106 Volume Control Guideline 108 Peak-Rate Control Guideline 108 Water Quality Protection Guideline 109 Stormwater Standards for Special Areas 110 Legal Implications of Green Infrastructure 110 6 LID Design Calculations and Methodology 113 6.1 Introduction to Stormwater Methodologies 113 6.2 Existing Methodologies for Runoff Volume Calculations 114 Runoff Curve Number Method 114 Small Storm Hydrology Method 117 Infiltration Models for Runoff Calculations 119 Urban Runoff Quality Management 119 6.3 Existing Methodologies for Peak-Rate/Hydrograph Estimates 120 The Rational Method 120 The NRCS (SCS) Unit Hydrograph Method 120 6.4 Computer Models 121 The HEC Hydrologic Modeling System 121 The SCS/NRCS Models: WinTR-20 and WinTR-55 121 The Stormwater Management Model 122 The Source Loading and Management Model 122 Continuous Modeling 123 6.5 Precipitation Data for Stormwater Calculations 123 6.6 Accounting for the Benefits of LID: Linking Volume and Peak Rate 124 6.7 Recommended LID Stormwater Calculation Methodology 124 Methods Involving No Routing 125 Methods Involving Routing 126 6.8 Nonstructural BMP Credits 127 7 Design of LID Systems 131 7.1 Nonstructural Measures 131 Impervious Surface Reduction 131 Limitation of Site Disturbance 132 Site Design with Less Space 132 7.2 Structural Measures 133 7.3 Pervious Pavement with an Infiltration or Storage Bed 134 Types of Porous Pavement 134 Description and Function 136 Pervious Bituminous Asphalt 141 Pervious Portland Cement Concrete 141 Pervious Paver Blocks 141 Reinforced Turf 143 Other Porous Surfaces 144 Potential Applications 144 Pervious Pavement Walkways (Concrete and Asphalt) 144 Rooftop and Impervious Area Connections 144 Water Quality Mitigation 145 7.4 Bioremediation 145 Rain Garden: Design and Function 146 Primary Components of a Rain Garden System 147 7.5 Vegetated Roof Systems 152 Design and Function 154 Design Elements of a Vegetated Roof System 155 Types of Vegetated Roof Systems 155 Dual Media with a Synthetic Retention Layer 158 Potential Applications 158 7.6 Capture–Reuse 158 Rain Barrels and Cisterns 161 Vertical Storage 164 8 Structural Measures: Construction, Operation, and Maintenance 169 8.1 Porous Pavement Systems 169 Construction 169 Storage/Infiltration Bed Dimensions 174 Construction Staging 174 Operation and Maintenance 176 Vacuuming 177 Restoration of Porous Pavements 178 Cost of Porous Pavement 178 8.2 Bioremediation Systems 179 Rain Gardens 179 Construction of a Rain Garden 183 Maintenance of Rain Gardens 183 Cost of Rain Gardens 184 Vegetated Roof Systems 184 Construction of a Vegetated Roof 187 Maintenance of Vegetated Roofs 188 Cost of Vegetated Roofs 188 8.3 Capture–Reuse Systems 188 Construction 188 Volume Reduction 191 Peak-Rate Mitigation 191 Water Quality Mitigation 191 Appendix A: The Stormwater Calculation Process 193 Appendix B: Case Studies 213 B.1 The Transition from Research to Practice 213 B.2 Manuals 215 B.3 LID Manual for Michigan (2008) 219 B.4 Models and Watershed Studies 237 B.5 Design and Construction Projects 251 Index 283

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Book SynopsisThis topical CD proceeding compiles a number of the key papers presented at the 8th International Symposium on Crystallization in Glasses and Liquids, helping to bridge the gap between the scientific understanding of nucelation and growth in glasses and the various applications of glass-ceramics and other crystalline materials.

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Book SynopsisFractography of Glasses and Ceramics V contains papers presented at The Fifth Conference on the Fractography of Glasses and Ceramics Held in Rochester, New York, July 9-13 2006.

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