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Book SynopsisBioanalysis of Pharmaceuticals: Sample Preparation, Separation Techniques and Mass Spectrometry is the first student textbook on the separation science and mass spectrometry of pharmaceuticals present in biological fluids with an educational presentation of the principles, concepts and applications. It discusses the chemical structures and properties of low- and high-molecular drug substances; the different types of biological samples and fluids that are used; how to prepare the samples by extraction, and how to perform the appropriate analytical measurements by chromatographic and mass spectrometric methods. Bioanalysis of Pharmaceuticals: Sample Preparation, Separation Techniques and Mass Spectrometry: Is an introductory student textbook discussing the different principles and concepts clearly and comprehensively, with many relevant and educational examples Focuses on substances that are administered as human drugs, including low-moleculaTable of ContentsContributing Authors ix Preface xi 1. Introduction 1Stig Pedersen-Bjergaard 1.1 What Is Bioanalysis? 1 1.2 What Is the Purpose of Bioanalysis, and Where Is It Conducted? 2 1.3 Bioanalysis Is Challenging 6 1.4 The Different Sections of This Textbook 7 2. Physicochemical Properties of Drug Substances 9Steen Honoré Hansen and Leon Reubsaet 2.1 Bioanalysis in General 9 2.2 Protolytic Properties of Analytes 10 2.3 Partitioning of Substances 12 2.4 Stereochemistry 15 2.5 Peptides and Proteins 18 3. Biological Samples: Their Composition and Properties, and Their Collection and Storage 23Steen Honoré Hansen 3.1 Introduction 23 3.2 Blood, or Whole Blood 24 3.3 Plasma and Serum 26 3.4 Urine 26 3.5 Feces 27 3.6 Saliva 28 3.7 Cerebrospinal Fluid 28 3.8 Synovial Fluid 28 3.9 Hair and Nails 29 3.10 Tissue (Biopsies) 29 4. General Chromatographic Theory and Principles 31Steen Honoré Hansen 4.1 General Introduction 31 4.2 General Chromatographic Theory 32 4.3 Theory of Partition 33 4.4 Retention 34 4.5 Separation Efficiency 35 4.6 Resolution 36 4.7 Selectivity 37 4.8 The Separation Process 38 4.9 Chromatographic Principles 41 4.10 Reversed Phase Chromatography 45 4.11 Size Exclusion Chromatography (SEC) 54 4.12 Ion Exchange Chromatography 56 4.13 Chiral Separations 57 5. Quantitative and Qualitative Chromatographic Analysis 61Steen Honoré Hansen 5.1 Collection of Chromatographic Data 61 5.2 Quantitative Measurements 62 5.3 Calibration Methods 63 5.4 Validation 67 5.5 Qualitative Analysis 69 6. Sample Preparation 73Stig Pedersen-Bjergaard, Astrid Gjelstad, and Trine Grønhaug Halvorsen 6.1 Why Is Sample Preparation Required? 73 6.2 What Are the Main Strategies? 75 6.3 Protein Precipitation 75 6.4 Liquid–Liquid Extraction 80 6.5 Solid-Phase Extraction 94 6.6 Dilute and Shoot 110 6.7 What Are the Alternative Strategies? 113 7. High-Performance Liquid Chromatography (HPLC) and High-Performance Liquid Chromatography–Mass Spectrometry (LC-MS) 123Steen Honoré Hansen and Leon Reubsaet 7.1 Introduction 123 7.2 The Solvent Delivery System 125 7.3 Degassing and Filtering of Mobile Phases 127 7.4 Injection of Samples 128 7.5 Temperature Control 128 7.6 Mobile Phases 129 7.7 Stationary Phases and Columns 130 7.8 Detectors 135 7.9 Mass Spectrometric Detection 143 8. Gas Chromatography (GC) 173Stig Pedersen-Bjergaard 8.1 Basic Principles of GC 173 8.2 GC Instrumentation 174 8.3 Carrier Gas 177 8.4 Stationary Phases 178 8.5 Separation Selectivity in GC 180 8.6 Columns 182 8.7 Injection Systems 183 8.8 Detectors 185 8.9 Derivatization 187 8.10 Gas Chromatography–Mass Spectrometry (GC-MS) 188 9. Analysis of Small-Molecule Drugs in Biological Fluids 207Steen Honoré Hansen and Stig Pedersen-Bjergaard 9.1 Plasma and Serum Samples 207 9.2 Whole Blood Samples 234 9.3 Dried Blood Spots 241 9.4 Urine Samples 245 9.5 Saliva 253 References 259 10. Analysis of Peptide and Protein Drugs in Biological Fluids 261Leon Reubsaet and Trine Grønhaug Halvorsen References 282 11. Regulated Bioanalysis and Guidelines 283Martin Jørgensen and Morten A. Kall 11.1 Introduction 283 11.2 The Evolution of Regulated Bioanalysis 284 11.3 Bioanalytical Method Validation 286 11.4 Pre-study Validation 287 11.5 In-Study Validation 299 11.6 Documentation 300 11.7 Regulatory Requirements to Bioanalysis 300 11.8 Quality Systems in Regulated Bioanalysis 301 Index 305

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Book SynopsisThis remarkable text by John R. Taylor has been a non-stop best-selling international hit since it was first published forty years ago. However, the two-plus decades since the second edition was released have seen two dramatic developments; the huge rise in popularity of Bayesian statistics, and the continued increase in the power and availability of computers and calculators. In response to the former, Taylor has added a full chapter dedicated to Bayesian thinking, introducing conditional probabilities and Bayes’ theorem. The several examples presented in the new third edition are intentionally very simple, designed to give readers a clear understanding of what Bayesian statistics is all about as their first step on a journey to become practicing Bayesians. In response to the second development, Taylor has added a number of chapter-ending problems that will encourage readers to learn how to solve problems using computers. While many of these can be solved using programs such as Matlab or Mathematica, almost all of them are stated to apply to commonly available spreadsheet programs like Microsoft Excel. These programs provide a convenient way to record and process data and to calculate quantities like standard deviations, correlation coefficients, and normal distributions; they also have the wonderful ability – if students construct their own spreadsheets and avoid the temptation to use built-in functions – to teach the meaning of these concepts.Trade ReviewThe new chapter on Bayesian statistics is extremely clear and well written, and is another one of John Taylor’s fabulous expositions. I enjoyed how Taylor develops the subject by using it to answer questions about the effectiveness of a vaccine. Before reading this chapter I wondered what assumptions are needed to derive a numerical value for a vaccine’s effectiveness, and I also wondered about the data needed and the methods used. Lo and behold, all my questions were answered in this chapter! I definitely will buy the new edition of Error Analysis and I look forward to delving into the Bayesian statistics. -- Mark Semon, Bates CollegeTable of ContentsPART I 1. Preliminary Description of Error Analysis 2. How to Report and Use Uncertainties 3. Propagation of Uncertainties 4. Statistical Analysis of Random Uncertainties 5. The Normal Distribution PART II 6. Rejection of Data 7. Weighted Averages 8. Least-Squares Fitting 9. Covariance and Correlation 10. The Binomial Distribution 11. The Poisson Distribution 12. The Chi-Squared Test for a Distribution 13. Bayesian Statistics APPENDICES A. Normal Error Integral, I B. Normal Error Integral, II C. Probabilities for Correlation Coefficients D. Probabilities for Chi Squared E. Two Proofs Concerning Sample Standard Deviations Answers to Quick Checks and Odd-Numbered Problems Index

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Book SynopsisThere are many text books about engineering design and some include project evaluation techniques. There are text books on accounting methods and yet others on business management. This book does not aim to replace these specialized texts but brings together the elements of these subjects that young engineers working in industry particularly the construction industry and its customers need to understand. Most engineers learn about money the hard way: by experience in the workplace. The authors having done this themselves recognized the gap in engineers' education and set out to bridge it. This book is based on a 1996 course George Solt pioneered for final-year engineering undergraduates. The book is written in an approachable style and gives young engineers as well as mature engineers an insight into the way engineering businesses run, the importance of capital and the problems of cash flow.Trade Review"Engineering Money is an excellent book for an undergraduate course dealing with return on investment issues for any contracted project, but particularly for engineering projects. The one-liner summary items would provide excellent starting points for a spirited class discussion. Highly recommended. Lower-and-upper division undergraduates." (Choice , 1 April 2011) Table of ContentsPreface. Chapter 1 What’s It All About? Chapter 2 Money. Chapter 3 Measuring Money. Chapter 4 How Things Can Go Wrong—1. Chapter 5 Good Company. Chapter 6 Capital. Chapter 7 The Year’s Business Plan. Chapter 8 How Not to Go Bust. Chapter 9 Cash Flow. Chapter 10 What’s a Contract? Chapter 11 Conditions of Contract. Chapter 12 How Things Can Go Wrong—2. Chapter 13 Cost Centers. Chapter 14 Pricing Contracts. Chapter 15 Competitive Tendering. Chapter 16 How Things Can Go Wrong—3. Chapter 17 Other Types of Contracts. Chapter 18 Terms of Payment. Chapter 19 How Things Can Go Wrong—4. Chapter 20 Planning Contract Execution. Chapter 21 Procurement and Monitoring. Chapter 22 Paying and Getting Paid. Chapter 23 Consultants. Chapter 24 Using Your Judgement. Chapter 25 Health and Safety Aspects of Design. Chapter 26 Green Engineering and Greenbacks. Chapter 27 Research and Development. Chapter 28 The Love of Money. Chapter 29 Last Words. Appendix 1 Financial Accounts. Appendix 2 Critical Path Analysis. Appendix 3 Project Evaluation Techniques. Index.

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Book SynopsisIn this biography of hydrogen, Rigden shows how this singular atomthe most abundant in the universehas helped unify our understanding of the material world from the smallest scale, the elementary particles, to the largest, the universe itself. It is a tale of startling discoveries and dazzling practical benefits spanning more than 100 years.Trade ReviewA prominent physicist once said, "to understand hydrogen is to understand all of physics." That is perhaps a bit of an overstatement; but it is no exaggeration to say that John Rigden's eminently readable book is a unique guide to the overwhelming role in science and technology of that simplest of all elements--from the origin of the universe itself to the most recently created lab sensation, the Bose-Einstein condensate. A book to be treasured by laypersons and experts alike. -- Gerald Holton, author of Einstein, History, and Other PassionsUsing the leitmotif of the hydrogen atom, John Rigden gives us an elegant review of the development of modern physics. This simplest of all atoms provided the challenge to Bohr, Heisenberg, Dirac, Rabi, Ramsey, and the other founders of 20th century physics. As the leading character, it carries the plot gracefully even to the subtlest of corrections provided by the quantum field theory of the 1940's and the most recent breakthrough by Dan Kleppner and his students in the late 1990's which earned some of those students the 2001 Nobel Prize for the observation of Bose-Einstein condensates. The writing is lucid and accessible, and should be easy going for the lay reader who enjoys his science with a minimum of mathematics. It is quite astonishing that the story loses almost none of its drama and coverage when filtered through the efforts to really, really understand hydrogen. -- Leon Lederman, Nobel Laureate of Physics, 1988John Rigden has chosen a great subject. Hydrogen truly has been the essential element in the evolution of our universe, in the development of the early quantum theory of atomic structure, quantum mechanics and quantum electrodynamics, nuclear magnetic resonance, and the creation of the atomic clock, and in many other discoveries and theoretical advances. In telling the story of this simplest of all atoms, Rigden gives us, in effect, a history of physics in the twentieth century. This fascinating book will captivate scientists and general readers alike. -- Norman Ramsey, Nobel Laureate of Physics, 1989Justly acclaimed for his lucid biography of physicist I. I. Rabi, Rigden here shifts his focus from person to problem, chronicling how one enduring conundrum--that of explaining the element hydrogen--has challenged two centuries of brilliant scientists...Readers will marvel that in its very first square, the periodic table holds so much science, so much history, so much humanity. -- Bryce Christensen * Booklist *There can be no understanding of either the microscopic world or the cosmos at large without an understanding of hydrogen. Rigden's book is, on one level, a history of this most basic element, from its discovery in the 18th century to today's cutting-edge experiments...But Rigden is also telling us the story of modern physics...If you love physics, you'll enjoy this book. It is thoughtful, clever and rich in detail. -- Dan Falk * National Post *There is almost magic eloquence in the practice and insights of science at its highest orders--which when transformed into the written word can produce splendid literature. A recent effort to do just that is Hydrogen...For many reasons, this book grabbed me from the start and held my attention to its finish...For its literary quality, its memorable parade of scientific superheroes and the richness of its material, this is a book I heartily recommend. -- Michael Pakenham * Baltimore Sun *Rigden's easy narrative style provides one of the most accessible descriptions of the importance of laboratory experimentation in developing our current understanding of fundamental physics that I know of. Also, he demonstrates how theorists have at times led the way, sometimes with jumps of intuition, sometimes with reliance on fundamental notions like symmetry and sometimes with sheer stubborn persistence. Finally, readers will particularly benefit from seeing extremely important practical technologies that the original experimenters may never have dreamed of. For a picture of how physics really progresses--with gritty details filled in, along with ingenious experiments and glimpses of physicists who push the forefronts of knowledge--Rigden's brief ode to hydrogen is a refreshing alternative to some of the speculative musings dominating the physics sections of bookstores. -- Lawrence M. Krauss * New York Times Book Review *Rigden is deeply enamored of physics, physicists and the historical anecdotes that bind them together. These passions are reflected in Hydrogen's format--short essays about different aspects of the hydrogen story, focusing on its physicist-heroes...Great stories, beautifully told...Rigden has done physicists a service with his touching love letters to their favorite atomic quarry. -- Graham Farmelo * New Scientist *John S. Rigden...has taken on the challenge and produced an accessible, congenial book for the general reader...His book deserves praise for introducing a wider audience to the rich story of hydrogen. -- Peter Pesic * American Scientist *Rigden writes well and admiringly of the characters involved and emphasises the benefits of pure research. -- Steven Poole * The Guardian *What this slim biography of 280 pages lacks in size, it more than makes up for in scientific revelations. Its subject, hydrogen, beneath a mask of simplicity, is clearly an element on the move. Such is the importance of this primordial element, that its biography mirrors that of the universe. As science--at least the modern physics part of it--is such an international enterprise, and is not carried out in a social vacuum, the book subtly provides a brief history of the world...If you are an admirer of progress in science, this book is for you. -- Dozie Azubike * Materials World *These chapters clearly demonstrate that hydrogen is an effective vehicle for presenting a good deal of modern physics…This book is part history of science and part primer on fundamental physical concepts. Moreover it includes interesting vignettes about the scientists involved in these various discoveries, especially I. I. Rabi, the subject of an earlier biography by the same author…The book is well written with clear explanations and good references. It should be accessible to an educated lay audience and of particular interest to chemists. -- A. Truman Schwartz * Journal of Chemical Education *Table of ContentsPrologue 1. In the Beginning: Hydrogen and the Big Bang 2. Hydrogen and the Unity of Matter: The Prout Hypothesis William Prout, 1815 3. Hydrogen and the Spectra of the Chemical Elements: A Swiss High School Teacher Finds a Pattern Johann Jakob Balmer, 1885 4. The Bohr Model of Hydrogen: A Paradigm for the Structure of Atoms Niels Bohr, 1913 5. Relativity Meets the Quantum in the Hydrogen Atom Arnold Sommerfeld, 1916 6. The Fine-Structure Constant: A Strange Number with Universal Significance Arnold Sommerfeld, 1916 7. The Birth of Quantum Mechanics: The Hydrogen Atom Answers the "Crucial Question" Werner Heisenberg and Wolfgang Pauli, 1925-26 * Paul Dirac, 1925-26 8. The Hydrogen Atom: Midwife to the Birth of Wave Mechanics Erwin Schrodinger, 1926 9. The Hydrogen Atom and Dirac's Theory of the Electron Paul Dirac, 1928 10. Hydrogen Guides Nuclear Physicists: The Discovery of Deuterium Harold Urey, 1932 11. Hubris Meets Hydrogen: The Magnetic Moment of the Proton Otto Stern, 1933 12. The Magnetic Resonance Method: The Origin of Magnetic Resonance Imaging I. I. Rabi, 1938 13. New Nuclear Forces Required: The Discovery of the Quadrupole Moment of the Deuteron Norman F. Ramsey and I. I. Rabi, 1939 14. Magnetic Resonance in Bulk Matter (NMR) Edward M. Purcell and Felix Bloch, 1946 15. Hydrogen's Challenge to Dirac Theory: Quantum Electrodynamics as the Prototype Physical Theory Willis Lamb, 1947 16. The Hydrogen Atom Portends an Anomaly with the Electron I. I. Rabi, John E. Nafe, and Edward B. Nelson, 1946 17. Hydrogen Maps the Galaxy Edward M. Purcell and Harold Ewen, 1951 18. The Hydrogen Maser: A High-Precision Clock Norman F. Ramsey and Daniel Kleppner, 1960 19. The Rydberg Constant: A Fundamental Constant Johannes Robert Rydberg, 1890 * Theodor Hansch, 1992 20. The Abundance of Deuterium: A Check on Big Bang Cosmology David N. Schramm, 1945-1997 21. Antihydrogen: The First Antiatom 22. The Bose-Einstein Condensate for Hydrogen Satyendranath Bose, 1924 * Albert Einstein, 1925 * Eric A. Cornell and Carl E. Wieman, 1995 * Daniel Kleppner and Tom Greytak, 1998 23. Exotic Hydrogen-like Atoms: From Theory to Technology Epilogue Notes Acknowledgments Credits Index

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Book SynopsisTable of ContentsList of Figures xiii Preface to the First Edition xvii Acknowledgments xxi Introduction to the Second Edition xxiii Part I: The Operational Environment Chapter 1: The CBRN and Hazardous Materials Threat 3 Adverse Effects 3 Categories of Threat Materials 7 Means of Dissemination 11 The Cause of the Problem: The Perpetrator 14 Nuisances, Hoaxes, and Communicated Threats 15 References 17 Chapter 2: The Major Events Operating Environment 19 Aspects of Events 19 Attendees—The Commonplace “Cast of Characters” 20 Public Transportation and Transport Infrastructure 23 Effects of Weather, Particularly in Urban Environments 24 Major Events Serve as a Multiplier for Terrorist Attacks 25 The Organizational and Bureaucratic Environment 26 References 30 Chapter 3: Social, Behavioral, and Psychological Issues 31 CBRN Materials, Fear, and Anxiety 32 Assessing Group Behavior 33 What Behavior do you Expect or Want? 35 How do we Apply this Knowledge? 36 References 39 Part II: Planning Chapter 4: Interagency Planning and Cooperation 43 Differences in Operational Perspectives 44 Fixing the Problems of Poor Cooperation 47 Incident Management Systems 48 Some Critiques of Incident Management Schemes 51 The Operations Center 52 AD Hoc Operations Centers 54 Best Practices –How to Make Operations Centers Work 54 References 57 Chapter 5: General Planning Considerations: Building Capability and Capacity 59 Establish Your Planning Threshold 59 Resilience 61 Examining and Building Capability and Capacity 62 The Synchronization Matrix as a Planning Tool 64 Addressing the Red Ink: Operational Deficits 66 Developing an Assessment Scheme 68 Best Practices for an Assessment Team 70 Lesson Learned: Do not get Too Hung up on Worst-Case Scenarios 73 References 74 Chapter 6: Buildings and Venues 75 Major Types of Venue 75 Reconnaissance: Site Surveys and Walkthroughs 80 Physical Characteristics: Air Flow and Ventilation 83 Hazardous Materials at or Near Venues 87 References 88 Chapter 7: Procurement: Buying Goods and Services 91 Interacting with Vendors in an Intelligent Way 92 Detection and Identification Hardware 94 Personal Protective Equipment (PPE) 96 Decontamination 97 References 99 Chapter 8: Preparedness in the Medical Sector 101 References 101 Sizing up the Problem 102 Preparedness at the Field Level: The Concept of “Special Events Medical Services” 105 Preparedness at the Hospital Level: Getting Ready for Mass Casualty Incidents (MCI) in the CBRN/HAZMAT Arena 106 Preparedness at the Public Health Level: Biomedical Surveillance 108 Dealing with the “Worried Well” 109 Lesson Learned: Intensive Care Can be the Critical Shortfall 111 References 112 Chapter 9: Preparedness in the Law Enforcement, Security, and Intelligence Sectors 115 Understanding the Process of CBRN Terrorism 116 Anti-Terrorism: Preventing or Deterring an Attack 118 Preparing Police to Operate in CBRN Environments 121 Lesson Learned: Countersurveillance—Pretend Like you are the Bad Guys 124 Lesson Learned: Use the 1-2- 3 Rule 124 References 125 Chapter 10: Preparedness in the Firefighting, Rescue, and Hazardous Materials Disciplines 127 Adapting the Fire Service Response to CBRN/HAZMAT Incidents at Major Events 127 Responder Safety 129 Planning for Decontamination 129 Rescue in the Hot Zone: Who and How? 130 CBRN/HAZMAT Mitigation 133 Lesson Learned: Follow the Hart Team 135 References 136 Chapter 11: Preparedness and Response in the Private Sector and “Third Sector” 137 Private Versus Public Spaces 137 Private Security Personnel 138 Facility Management Staff 141 Charities, Volunteers, and “Unaffiliated Responders” 142 PPE for the Private Sector and Third Sector Responders 144 References 145 Chapter 12: The Military—Preparing for Military Support to the Civil Authorities 147 Understanding Military CBRN Philosophy 147 Relationship Between Military and Civil Authorities 149 Issues and Problems with Military Support 152 Some Ideas to Help Integrate Military Support 154 Lesson Learned: Civil Support Teams 155 Reference 155 Chapter 13 Other Preparedness Issues 157 Transportation and Logistics 157 Communications Technology 158 Financial and Administrative Preparedness 159 Legal Considerations 160 Language Support 162 Laboratory and Scientific Preparedness 162 Reach-Back 166 Lessons Learned: There’s Almost Always an International Context 168 References 168 Part III: Response Chapter 14: The First Hour 173 What to do in the First Hour 173 Assessment of Incidents 175 Essential Elements of Information (EEI) 175 Sizing up The Incident 177 What Not to do in the First Hour 182 Withdrawal as a Tactic 183 Lessons Learned from History 183 References 184 Chapter 15: Characterizing the Threat 185 Detection, Identification, Measurement, and Identification Equipment and its Use 185 Specifications of Sensors 191 Putting it Together: Writing Sensors into Operational Plans 192 Thinking out of the Box—Detection Using Non-Specialty Sensor Technology 194 Hazard Prediction Models 196 Lesson Learned: Leveraging Existing Detection Capabilities 196 References 197 Chapter 16: Medical Response 199 Dividing the Problem into Syndromes 199 Managing The Incident—Being Realistic in Chemical Scenarios 201 Field Care—Remember the ABCDD 203 Practical Incident Management Measures 204 Definitive Care 206 Lesson Learned: Treat the Patient not the Scenario 208 Mini-Chapter: Lessons from a Pandemic 209 References 212 Chapter 17: Decontamination 215 Why do Decontamination? 215 Decon at Major Events 217 Categories of Decontamination 218 Methods of Decontamination 220 Tactical Considerations 221 Lesson Learned: Large Volume Decontamination is Possible 227 References 227 Chapter 18: Public Affairs and Crisis Communication 229 The Audience: Who are we Talking to? 230 Principles of Communicating in a Crisis 231 Joint Information Centers 233 What Not to do 233 The Phenomenon of Bad Information 234 Lesson Learned: Conspiracy Theories and Disinformation will Multiply in a CBRN Environment 237 References 237 Chapter 19: Consequence Management and Other Response Measures 239 General Frameworks and References for Consequence Management 239 Lesson Learned: Victims from Other Countries 248 References 248 Chapter 20: Forensics and Investigations 251 CBRN Forensics as a Specialty 251 Collection and Preservation of Evidence: General Considerations 253 Integrity of the Evidence 255 Possible Tactics, Techniques, and Procedures 257 Lessons Learned 260 References 261 Part IV: Practical Scenarios Introduction to the Practical Scenarios 265 Scenario A Searching Arenas and Stadiums 267 Scenario B Screening People, Goods, and Vehicles 275 Scenario C Threats and Hoaxes 281 Scenario D Unattended Items and Vehicles 287 Scenario E Suspicious Powders and Crime Scene Issues 291 Scenario F Industrial Chemical Accidents 295 Scenario G Mystery Smells and Illnesses 299 Scenario H Chemical Warfare Agent Terrorism on Public Transport 305 Scenario I Large-scale Chemical Terrorism 311 Scenario J Attacks with Biological Warfare Agents 317 Scenario K Pandemic Illness 321 Scenario L Radiological Attacks 327 Scenario M Major Nuclear Power Plant Incident 333 Appendices Appendix A Example Threat Basis and Planning Threshold 339 Appendix B Template for a CBRN/HAZMAT Site Survey 343 Appendix C Example Task Lists, Capability Survey, and Capacity Survey 347 Appendix D Synchronization Matrix—Simplified Example 351 Bibliography 355 Index 365

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Book SynopsisDIntegral, reliable, and comprehensive guidance for chemists performing the complex syntheses required for the formation and cleavage of protective groups Organic synthesis is the preparation and creation of organic compounds for use in natural products, pharmaceuticals, and other molecules. The synthesis of molecules having multiple functional groups often requires the use of protective groups to achieve site selectivity in a chemical reaction within a molecule bearing multiple sites of reactivity. Protective groups are installed temporarily to prevent unwanted reactions at a particular site, while transforming a different functional group. Once they have served their function, they are removed to expose the original group. Without a thorough understanding of the methods required to install and remove them, the design of a synthesis of a molecule having multiple functional groups in most cases is effectively impossible. Greene''s Protective Groups in Organic Synthe

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Book SynopsisThis Second Edition is the premier name resource in the field. It provides a handy resource for navigating the web of named reactions and reagents. Reactions and reagents are listed alphabetically, followed by relevant mechanisms, experimental data (including yields where available), and references to the primary literature.Trade Review"The number and range of reactions covered makes the book a valuable resource for readers ranging from beginning graduate students to professionals wrestling with real problems." (Molecular Crystals & Liquid Crystals, Volume 457, 2006) "The breath of coverage extends well beyond the confines of a typical undergraduate-beginning graduate organic chemistry course...a launching point to a vast array of named chemical reactions." (Journal of Chemical Education, December 2005) "Users of this well-known collection of organic name reactions will appreciate this updated edition...this comprehensive book contains a wealth of information...highly recommended." (CHOICE, November 2005) "...compiles and organizes the most significant organic synthesis advances to date...belongs in all academic and research environments engaged in organic chemistry." (Journal of Medicinal Chemistry, September 22, 2005) “…excellent value for the money…will play a significant role as a reference work in the academic and professional realm.” (Organische Chemie, 6th September 2005) "…a homerun in the now competitive arena of named reactions texts." (Journal of Natural Products, August 2005) "I found the volume extremely useful and recommend it without reservation to all organic chemists, particularly those whose work includes synthesis design." (Synthesis, April 2006)Table of ContentsAcronyms and Abbreviations. Named Reactions. Named Reagents and Acronyms. Index.

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Book SynopsisThis book details management practices which help ensure rigor in executing process safety programs in order to prevent major accidents with Conduct of Operations, also called Operational Discipline, which involves a range of management practices which help keep companies focused on executing the requirements of process safety management programs.Table of ContentsList of Tables xiii List if Figures xv Online Materials Accompanying This Book xvii Acronyms and Abbreviations xix Glossary xxiii Acknowledgments xxvii Preface xxix Executive Summary xxxi 1. What is COO/OD and How Can I Tell If I Need It? 1 1.1 Introduction 1 1.2 Purpose of This Book 1 1.3 Focus and Intended Audience 1 1.4 Definitions 6 1.5 How to Use This Book 11 1.6 How DO I Know If I Need to Improve my COO/OD System? 121.7 Basic COO/OD Concepts 12 1.8 Implementation of the COO/OD System 22 1.9 Scope of the Book 23 1.10 Relationship to Other Management System Frameworks 241.11 Summary 29 1.12 References 29 2. Benefits of COO/OD 31 2.1 Introduction 31 2.2 Objectives of COO/OD 31 2.3 Evolution of COO/OD Systems 35 2.4 Summary 41 2.5 References 42 2.6 Additional Reading 43 3. Leadership’s Role and Commitment 45 3.1 Introduction 45 3.2 Achieving Greatness with COO/OD 45 3.3 Leadership’s Role in Instituting COO/OD 52 3.4 Summary 61 3.5 References 62 3.6 Additional Reading 62 4. The Importance of Human Factors 63 4.1 Introduction 63 4.2 Human Behavior Issues 64 4.3 What is a Human Error? 67 4.4 Common Misconceptions About Human Performance 69 4.5 Categories of Human Errors 70 4.6 Human Error Initiators 74 4.7 How Does A COO/OD System Prevent and Mitigate Human Errors? 75 4.8 Relationship Between COO/OD and Other Common Human Performance Tools 75 4.9 Getting Everyone Involved in Human Factors 80 4.10 Human Factors Metrics 81 4.11 Summary 82 4.12 References 83 4.13 Additional Reading 84 5. Key Attributes of Conduct of Operations 85 5.1 Introduction 85 5.2 COO Applied of Process Safety Management Systems 88 5.3 Organization of this Chapter 90 5.4 COO Foundations 90 5.5 People 99 5.6 Process 122 5.7 Plant 127 5.8 Management Systems 136 5.9 Summary 139 5.10 References 140 5.11 Additional Reading 142 6. Key Attributes of Operational Discipline 143 6.1 Introduction 143 6.2 Organizational Attributes 147 6.3 Individual Attributes 157 6.4 Summary 164 6.5 References 165 6.6 Additional Reading 166 7. Implementing and Maintaining Effective COO/OD Systems 167 7.1 Introduction 167 7.2 Develop a Plan 168 7.3 Implement the Plan 180 7.4 Monitor Progress 183 7.5 Adjust the Plan and Continuously Improve 193 7.6 Application to Different Roles 200 7.7 Summary 201 7.8 References 202 7.9 Additional Reading 202

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Book SynopsisProvides an introduction to the chemistry of therapeutically active compounds. This title reviews the structures and nomenclature of the more common classes of naturally occurring compounds found in biological organisms. An overview of medicinal chemistry is followed by chapters covering the discovery and design of drugs.Trade Review"... it would be of great value to beginning graduate students in medicinal chemistry... it should be included in any practicing chemist's personal library." (Journal of Medicinal Chemistry, July 29, 2004) "Thomas presents the fundamentals of medicinal chemistry in a clear, concise, and descriptive fashion." (Choice, June 2004, Vol. 41 No. 10) "... provides a concise introduction to the chemistry of therapeutically active compounds, written in a readable and accessible style..." (www.organische-chemie.ch, 19/01/2004) "... well laid out, with an attractive typeface." (Chemistry and Industry, 6th September 2004)Table of ContentsPreface. Acknowledgements. Abbreviations/Acronyms. 1. Biological Molecules. 2. An Introduction to Drugs and Their Action. 3. An Introduction to Drug Discovery. 4. The SAR and QSAR Approaches to Drug Design. 5. Computer Aided Drug Design. 6. Combinatorial Chemistry. 7. Selected Examples of Drug Action at some Common Target Areas. 8. Pharmacokinetics. 9. Drug Metabolism. 10. An Introduction to Lead and Analogue Syntheses. 11. Drug Development and Production. Appendix 1. Sickle-cell Anaemia. Appendix 2. Bacteria. Appendix 3. Cell Membranes. Appendix 4. Receptors. Appendix 5. Transfer through Membranes. Appendix 6. Regression Analysis. Appendix 7. Enzymes. Answers to Questions. Selected Further Reading. Index.

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Book SynopsisBrings alchemy out of the shadows and restores it to its important place in human history and culture. By surveying what alchemy was and how it began, developed, and overlapped with a range of ideas and pursuits, this title illuminates the practice.Trade Review"The Secrets of Alchemy comes closer than any other single work to explaining the grounds-rational and empirical, as well as religious and wishful-for alchemy's longevity. Lawrence M. Principe's delightful writing style brings to life a depth of learning matched by few in the field." (Nature) "An elegant, readable book, packed with information and revelation." (Anthony Grafton, Science) "Lawrence M. Principe has long been at the vanguard of scholars who seek to show that alchemists were really early chemists, not blindly struggling to turn substances into gold but operating, like scientists today, within an intellectual framework that guided their practical work. In The Secrets of Alchemy, an elegantly written summary of two decades of his own research, Principe describes this framework." (Wall Street Journal)"

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Book SynopsisCovers enzyme kinetics from its most elementary aspects to such modern subjects as steady-state, multi-reactant kinetics and isotope exchange. Offers an understanding of the behavior of enzyme systems and the diagnostic tools used to characterize them and determine kinetic mechanisms. Illustrates and explains current subjects such as cumulative, concerted and cooperative feedback inhibition and metal ion activation.Table of ContentsKinetics of Unireactant Enzymes. Simple Inhibition Systems. Rapid Equilibrium Partial and Mixed-Type Inhibition. Enzyme Activation. Rapid Equilibrium Bireactant and Terreactant Systems. Multisite and Allosteric Enzymes. Multiple Inhibition Analysis. Steady-State Kinetics of Multireactant Enzymes. Isotope Exchange. Effects of pH and Temperature. Appendix. Index.

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Book SynopsisThe Second Edition of Modern Size-Exclusion Chromatography offers a complete guide to the theories, methods, and applications of size-exclusion chromatography. It provides an unparalleled, integrated, up-to-date treatment of gel permeation and gel filtration chromatography. With its detailed descriptions of techniques, data handling, compilations of information on columns and column packings, and tables of important solvents and reference materials, the book offers readers everything they need to take full advantage of this popular macromolecular characterization technique. Since publication of the first edition in 1979, there have been many important advances in the field of size-exclusion chromatography. This Second Edition brings the book thoroughly up to date, with expert coverage of: New and emerging industrial and research applications Practical aspects of size-exclusion chromatography (SEC) and multidetector and multidimensional SEC technoTrade Review"The authors have balanced well-written text with diagrams, figures, and equations to provide a user-friendly guide to practical modern SEC. The inclusion of both classical and current references with each chapter demonstrates the utility of each chapter and discussion. This text would be useful for scientists at any level, whether using SEC for the first time or the 1,000th." (Anal Bioanal Chem, 2011) "With its extensive revisions and updates written by leading experts and pioneers in the field, Modern Size-Exclusion Liquid Chromatography offers readers everything they need to take full advantage of this popular macromolecular characterisation technique." (Chemistry Journals, 11 April 2011) Table of ContentsForeword. Preface. 1 Background. 1.1 Introduction. 1.2 History. 1.3 Utility of SEC. 1.4 Molar Mass Averages and Molar Mass Distribution. 1.5 Structure of The Book. References. 2 Retention. 2.1 Introduction. 2.2 Solute Retention in LC. 2.3 Solute Retention in SEC. 2.4 SEC Retention Mechanism. 2.5 Theoretical Models of SEC Separation. 2.6 Other Considerations. References. 3 Band Broadening. 3.1 Introduction. 3.2 LC Plate Theory. 3.3 Mechanism of SEC Band Broadening. 3.4 Influencing Factors. 3.5 Experimental Methods. References. 4 Resolution. 4.1 Introduction. 4.2 Resolution Concept in SEC of Polymers. 4.3 Molar Mass Accuracy Criterion. 4.4 Applications of Column Performance Criteria . 4.5 Pore Geometry and Operational Effects. References. 5 Equipment. 5.1 Introduction. 5.2 Extra-Column Effects: General. 5.3 Mobile-Phase Reservoirs, Inlet Filters, and Degassers. 5.4 Solvent-Metering Systems (Pumps). 5.5 Sample Injectors and Autosamplers. 5.6 Miscellaneous Hardware. 5.7 Laboratory Safety. References. 6 The Column. 6.1 Introduction. 6.2 Column Packings. 6.3 Column-Packing Methods. 6.4 Column Performance. References. 7 Experimental Variables and Techniques. 7.1 Introduction. 7.2 Solvent Effects. 7.3 Substrate Effects. 7.4 Sample Effects. 7.5 Laboratory Techniques. 7.6 Solvent Selection and Preparation. 7.7 Selection and Use of Standard Reference Materials. 7.8 Detector Selection. 7.9 Column Selection and Handling. 7.10 Chromatographic Design Considerations. 7.11 Making the Separation. 7.12 Troubleshooting. References. 8 Calibration. 8.1 Introduction. 8.2 Calibration with Narrow-MMD Standards. 8.3 Calibration with Broad-MMD Standards. 8.4 Accuracy of Calibration Methods. 8.5 Actual Molar Mass Across the SEC Elution Curve. 8.6 Linear Calibration Ranges. 8.7 Recent Developments and Recommendations on Band-Broadening Correction. References. 9 Physical Detectors. 9.1 Introduction. 9.2 Concentration-Sensitive Detectors. 9.3 Static Light-Scattering Detection. 9.4 Quasielastic Light-Scattering Detection. 9.5 Viscometric Detection. 9.6 SEC3. References. 10 Chemical Detectors. 10.1 Introduction. 10.2 Mass Spectrometry. 10.3 Fourier Transform Infrared Spectroscopy. 10.4 Nuclear Magnetic Resonance Spectroscopy. 10.5 Other Chemical Detectors. 10.6 Coupling of Chemical Detectors. References. 11 Polymer Architecture and Dilute Solution Thermodynamics. 11.1 Introduction. 11.2 Long-Chain Branching. 11.3 Determining the Short-Chain Branching Distribution. 11.4 Polymer Architecture: Conformation and Topology. 11.5 Star Polymers. 11.6 Determining the Persistence Length. 11.7 Determining the Characteristic Ratio. 11.8 Local Polydispersity. References. 12 Aqueous SEC. 12.1 Introduction. 12.2 Aqueous SEC Columns. 12.3 Non-Size-Exclusion Effects and Mobile-Phase Additives. 12.4 Select Applications of Aqueous SEC. References. 13 Oligomeric SEC. 13.1 Introduction. 13.2 What is an Oligomer? 13.3 Preliminary Considerations. 13.4 Oligomeric SEC Columns. 13.5 Select Applications of Oligomeric SEC. 13.6 Optimizing Resolution in Oligomeric SEC. References. 14 SEC in 2D-LC Separations. 14.1 Introduction. 14.2 Principles of 2D Polymer Separations. 14.3 Designing an Experimental 2D-LC Protocol. 14.4 Eluent Transfer in 2D-LC. 14.5 Stop-Flow SEC × LC. 14.6 Select Applications of 2D-LC. 14.7 SEC in 3D Separations. References. 15 Special Techniques. 15.1 Introduction. 15.2 Preparative SEC. 15.3 Recycle SEC. 15.4 High-Speed SEC. 15.5 Inverse SEC. 15.6 Vacancy and Differential SEC. 15.7 Size-Exclusion Electrochromatography. References. 16 High-Temperature SEC and Rheological Connections. 16.1 Introduction. 16.2 High-Temperature SEC. 16.3 Complementarity of SEC and Rheology. References. Symbols. Abbreviations. Index.

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Book SynopsisThis book is unique as the first effort to expound on the subject of systematic scaling analysis. Not written for a specific discipline, the book targets any reader interested in transport phenomena and reaction processes. The book is logically divided into chapters on the use of systematic scaling analysis in fluid dynamics, heat transfer, mass transfer, and reaction processes. An integrating chapter is included that considers more complex problems involving combined transport phenomena. Each chapter includes several problems that are explained in considerable detail. These are followed by several worked examples for which the general outline for the scaling is given. Each chapter also includes many practice problems. This book is based on recognizing the value of systematic scaling analysis as a pedagogical method for teaching transport and reaction processes and as a research tool for developing and solving models and in designing experiments. Thus, the book can serve as both a Table of ContentsPreface xi Acknowledgments xv 1 Introduction 1 1.1 Motivation for Using Scaling Analysis 1 1.2 Organization of the Book 5 2 Systematic Method for Scaling Analysis 7 2.1 Introduction 7 2.2 Mathematical Basis for Scaling Analysis 7 2.3 Order-of-One Scaling Analysis 8 2.4 Scaling Alternative for Dimensional Analysis 13 2.5 Summary 18 3 Applications in Fluid Dynamics 19 3.1 Introduction 19 3.2 Fully Developed Laminar Flow 20 3.3 Creeping- and Lubrication-Flow Approximations 26 3.4 Boundary-Layer-Flow Approximation 32 3.5 Quasi-Steady-State-Flow Approximation 38 3.6 Flows with End and Sidewall Effects 43 3.7 Free Surface Flow 45 3.8 Porous Media Flow 52 3.9 Compressible Fluid Flow 56 3.10 Dimensional Analysis Correlation for the Terminal Velocity 62 3.11 Summary 67 3.e Example Problems 70 3.p Practice Problems 110 4 Applications in Heat Transfer 145 4.1 Introduction 145 4.2 Steady-State Heat Transfer with End Effects 146 4.3 Film and Penetration Theory Approximations 153 4.4 Small Biot Number Approximation 159 4.5 Small Peclet Number Approximation 163 4.6 Boundary-Layer or Large Peclet Number Approximation 167 4.7 Heat Transfer with Phase Change 173 4.8 Temperature-Dependent Physical Properties 180 4.9 Thermally Driven Free Convection: Boussinesq Approximation 183 4.10 Dimensional Analysis Correlation for Cooking a Turkey 187 4.11 Summary 193 4.e Example Problems 196 4.p Practice Problems 224 5 Applications in Mass Transfer 252 5.1 Introduction 252 5.2 Film Theory Approximation 253 5.3 Penetration Theory Approximation 259 5.4 Small Peclet Number Approximation 261 5.5 Small Damköhler Number Approximation 266 5.6 Large Peclet Number Approximation 269 5.7 Quasi-Steady-State Approximation 273 5.8 Membrane Permeation with Nonconstant Diffusivity 277 5.9 Solutally Driven Free Convection Due to Evapotranspiration 281 5.10 Dimensional Analysis for a Membrane-Lung Oxygenator 287 5.11 Summary 293 5.e Example Problems 297 5.p Practice Problems 336 6 Applications in Mass Transfer with Chemical Reaction 360 6.1 Introduction 360 6.2 Concept of the Microscale Element 362 6.3 Scaling the Microscale Element 364 6.4 Slow Reaction Regime 371 6.5 Intermediate Reaction Regime 371 6.6 Fast Reaction Regime 372 6.7 Instantaneous Reaction Regime 373 6.8 Scaling the Macroscale Element 377 6.9 Kinetic Domain of the Slow Reaction Regime 380 6.10 Diffusional Domain of the Slow Reaction Regime 381 6.11 Implications of Scaling Analysis for Reactor Design 381 6.12 Mass-Transfer Coefficients for Reacting Systems 387 6.13 Design of a Continuous Stirred Tank Reactor 390 6.14 Design of a Packed Column Absorber 394 6.15 Summary 397 6.p Practice Problems 399 7 Applications in Process Design 414 7.1 Introduction 414 7.2 Design of a Membrane Lung Oxygenator 415 7.3 Pulsed Single-Bed Pressure-Swing Adsorption 424 7.4 Thermally Induced Phase-Separation Process 438 7.5 Fluid-Wall Aerosol Flow Reactor for Hydrogen Production 448 7.6 Summary 464 7.p Practice Problems 467 Appendix A Sign Convention for the Force on a Fluid Particle 480 Appendix B Generalized Form of the Transport Equations 482 B. 1 Continuity Equation 482 B. 2 Equations of Motion 482 B. 3 Equations of Motion for Porous Media 483 B. 4 Thermal Energy Equation 483 B. 5 Equation of Continuity for a Binary Mixture 484 Appendix c Continuity Equation 486 C. 1 Rectangular Coordinates 486 C. 2 Cylindrical Coordinates 487 C. 3 Spherical Coordinates 487 Appendix d Equations of Motion 489 D. 1 Rectangular Coordinates 489 D. 2 Cylindrical Coordinates 490 D. 3 Spherical Coordinates 492 Appendix E Equations of Motion for Porous Media 494 E. 1 Rectangular Coordinates 494 E. 2 Cylindrical Coordinates 494 E. 3 Spherical Coordinates 495 Appendix F Thermal Energy Equation 496 F. 1 Rectangular Coordinates 496 F. 2 Cylindrical Coordinates 497 F. 3 Spherical Coordinates 497 Appendix G Equation of Continuity for a Binary Mixture 499 G.1 Rectangular Coordinates 499 G. 2 Cylindrical Coordinates 500 G. 3 Spherical Coordinates 502 Appendix H Integral Relationships 504 H.1 Leibnitz Formula for Differentiating an Integral 504 H.2 Gauss Ostrogradskii Divergence Theorem 504 Notation 506 Index 515

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Book SynopsisProviding a practical and accessible guide, this book enables readers to quickly build up knowledge and understanding of toxicology applications taking the reader from basic theory to an advanced basics level dealing with specific issues like pesticides, alcohol, and cigarettes.Table of ContentsForeword xxi Preface xxiii Acknowledgment xxv 1 Welcome to the World of Toxicology 1 1.1 Chemicals – They Are All Around Us 1 1.2 Synthetic or Naturally Occurring Chemicals – Which Are “Safer”? 1 1.3 Chemical Control Regulations 2 1.4 Perception of Chemical Risk 3 1.5 Why Is Toxicology Important? 4 1.6 Summary 4 2 Basic Toxicological Terminology 5 2.1 The Cell 5 2.1.1 Stem Cells, Somatic Cells, and Germ Cells 5 2.2 Homeostasis7 2.3 Adaptation and Cell Injury 7 2.4 Cellular Responses to Injury 7 2.5 Mode of Action and Mechanism of Action 9 2.6 Adverse Effects 9 2.7 Biological and Statistical Significance 10 2.8 Local and Systemic Effects 11 2.9 How Chemicals Cause Harm 11 2.10 Acute and Chronic Exposures 12 2.11 Chemical Interactions in Mixtures 14 2.12 Summary 15 3 The Dose Makes the Poison 19 3.1 Dose– Response and Dose–Effect Relationships 19 3.2 Internal and External/Exposure Dose 20 3.3 The Dose Makes the Poison: Dose–Response/Effect Curves 21 3.4 No Observed Adverse Effect Level (NOAEL) 23 3.5 Lowest Observed Adverse Effect Level (LOAEL) 24 3.6 What Affects the NOAEL and LOAEL? 24 3.7 No Observed Effect Level (NOEL) 24 3.8 Summary 24 4 Toxicokinetics 27 4.1 Why Is Toxicokinetics So Useful? 28 4.2 ADME: Absorption, Distribution, Metabolism, and Excretion 29 4.3 Biotransformation (Metabolism) 36 4.4 Bioavailability and Area Under the Curve (AUC) 38 4.5 Assessment Approaches 39 4.6 Summary 40 5 Factors That Modify Toxicity 45 5.1 Lifestyle Factors – Alcohol and Tobacco 45 5.2 Influence of Age 46 5.3 Health Status 46 5.4 Nutritional Status – Diet 47 5.5 Sex 48 5.6 Adaptation 48 5.7 Genetic Variability 48 5.8 Summary 49 6 Local Effects 53 6.1 Irritants and Corrosives 53 6.2 Skin Structure 54 6.3 Irritant Contact Dermatitis 56 6.4 Chemical Corrosives 60 6.5 The Skin as a Target Organ – Severity of Effect 60 6.6 Chemical Irritants and Other Exposure Routes 61 6.7 Summary 62 7 Systemic Effects 65 7.1 Chemical Allergies 66 7.2 Genetic Toxicology 79 7.3 Carcinogenicity 91 7.4 Reproductive and Developmental Toxicology 100 7.4.10 Maternal Mediated Toxicity 119 8 Target Organ Toxicity 123 8.1 The Liver 124 8.2 The Kidney 139 8.3 The Immune System 151 8.4 Hematopoietic System and Blood 167 8.5 The Nervous System 176 8.6 The Respiratory Tract 196 8.7 The Endocrine System 208 9 Assessment Methods 227 9.1 Assessment of Irritation and Corrosive Effects 228 9.2 Assessment of Acute Toxicity 239 9.3 Repeated 9.4 Assessment of Carcinogenicity 259 9.5 Assessment of Genetic Toxicity 267 9.6 Assessment of Reproductive and Developmental Effects 283 9.7 Assessment of Skin and Respiratory Sensitization 295 10 Alternative Methods to Animal Testing 307 10.1 The Drive for Alternative Methods 307 10.1.1 A Different Approach? 308 10.3 In Vitro and Ex Vivo Methods 308 10.4 Twenty‐ First Century Toxicity Testing 310 10.5 Physicochemical Data and Their Use in Hazard Identification and Exposure Assessment 314 10.6 Summary 317 11 Human Health Risk Assessment 321 11.1 Human Health Risk Assessments – Prospective and Retrospective 321 11.2 Risk, Hazard, and Exposure 322 11.3 Chemical Risk Assessments 323 11.4 Linear Dose Response – Nonthresholded Effects 333 11.5 Exposure Assessment 336 11.6 Risk Characterization – Do We Have a Problem? 340 11.7 Summary 341 Glossary 345 Index 355

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Book SynopsisConsiders the origins, development and history of medicines that generate high media interest and have a huge social and economic impact on society. This title provides coverage of pre-twentieth century drugs, the huge advances made in the twentieth century and the developments in drug research.Trade Review"... the book is of great value for everybody wanting to get brief, reliable information as well as for those using it as a starting point for further research." Die Pharmazie - An International Journal of Pharmaceutical SciencesTable of ContentsChapter 1 Introduction. Part 1 Legacy Of The Past. Chapter 2 The Prehistoric Period. Chapter 3 Pre-Hellenic Civilisations. Chapter 4 Greece and Rome. Chapter 5 The Arab World. Chapter 6 Herbals. Chapter 7 Chemical Medecines. Chapter 8 Systematic Medicine. Part 2 Drugs From Naturally Occurring Prototypes. Section I Phytochemicals. Chapter 9 Alkaloids. Chapter 10 Non-Alkaloid Plant Products. Chapter 11 Plant Product Analogues and Compounds Derived From Them. Section II Biochemicals. Chapter 12 The Origins Of Hormone Therapy. Chapter 13 Neurohormones. Chapter 14 Peptide Hormones. Chapter 15 Sex Hormones. Chapter 16 Adrenal Cortex Hormones. Chapter 17 Prostaglandins. Chapter 18 Hormone Analogues. Chapter 19 Vitamins. Chapter 20 Antimetabolites. Chapter 21 Blood and Biological Products. Section III Drugs from Microorganisms. Chapter 22 Antibiotics. Chapter 23 Antibiotic Analogues. Chapter 24 Pharmacodynamic Agents from Microorganisms. Chapter 25 Analogues of Pharmacodynamic Agents from Fungi. Part 3 Synthetic Drugs. Chapter 26 The First Synthetic Drugs and Their Analogues. Chapter 27 Drugs Originating from the Screening of Dyes. Chapter 28 Drugs Originating from the Screening of Organic Chemicals. Chapter 29 Drugs Discovered through Serendipitous Observations Involving Humans. Chapter 30 Drugs Disocvered through Serendipity in the Laboratory. Chapter 31 Concluding Remarks.

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Book SynopsisWinner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarlypublishing, the annual PROSE Awards recognise publishers' andauthors' commitment to pioneering works of research and forcontributing to the conception, production, and design of landmarkworks in their fields.Table of ContentsPreface 1. Molecular Orbital Theory 1.1 The Atomic Orbitals of a Hydrogen Atom 1.2 Molecules Made from Hydrogen Atoms 1.3 C—H and C—C Bonds 1.4 Conjugation—Hückel Theory 1.5 Aromaticity 1.6 Strained s Bonds—Cyclopropanes and Cyclobutanes 1.7 Heteronuclear Bonds, C—M, C—X and C=O 1.8 The Tau Bond Model 1.9 Spectroscopic Methods 2. Molecular Orbitals and the Structures of Organic Molecules 2.1 The Effects of p-Conjugation 2.2 Hyperconjugation—p-Conjugation 2.3 The Configurations and Conformations of Molecules 2.4 The Effect of Conjugation on Electron Distribution 2.5 Other Non-covalent Interactions 3 Chemical Reactions—How Far and How Fast 3.1 Factors Affecting the Position of an Equilibrium 3.2 The Principle of Hard and Soft Acids and Bases (HSAB) 3.3 Transition Structures 3.4 The Perturbation Theory of Reactivity 3.5 The Salem-Klopman Equation 3.6 Hard and Soft Nucleophiles and Electrophiles 3.7 Other Factors Affecting Chemical Reactivity 4 Ionic Reactions—Reactivity 4.1 Single Electron Transfer (SET) in Ionic Reactions 4.2 Nucleophilicity 4.3 Ambident Nucleophiles 4.4 Electrophilicity 4.5 Ambident Electrophiles 4.6 Carbenes 5 Ionic Reactions—Stereochemistry 5.1 The Stereochemistry of the Fundamental Organic Reactions 5.2 Diastereoselectivity 6 Pericyclic Reactions 6.1 The Four Classes of Pericyclic Reactions 6.2 Evidence for the Concertedness of Bond Making and Breaking 6.3 Symmetry-allowed and Symmetry-forbidden Reactions 6.4 Explanations for the Woodward-Hoffmann Rules 6.5 Secondary Effects 7 Radical Reactions 7.1 Nucleophilic and Electrophilic Radicals 7.2 The Abstraction of Hydrogen and Halogen Atoms 7.3 The Addition of Radicals to p-Bonds 7.4 Synthetic Applications of the Chemoselectivity of Radicals 7.5 Stereochemistry in some Radical Reactions 7.6 Ambident Radicals 7.7 Radical Coupling 8 Photochemical Reactions 8.1 Photochemical Reactions in General 8.2 Photochemical Ionic Reactions 8.3 Photochemical Pericyclic Reactions and Related Stepwise Reactions 8.4 Photochemically-Induced Radical Reactions 8.5 Chemiluminescence References Index

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Book SynopsisA Thorough But Understandable Introduction To Molecular Symmetry And Group Theory As Applied To Chemical Problems! In a friendly, easy--to--understand style, this new book invites the reader to discover by example the power of symmetry arguments for understanding theoretical problems in chemistry.Table of ContentsFundamental Concepts. Representations of Groups. Techniques and Relationships for Chemical Applications. Symmetry and Chemical Bonding. Equations for Wave Functions. Vibrational Spectroscopy. Transition Metal Complexes. Appendices. Index.

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Book SynopsisThe pathways and networks underlying biological function Now in its second edition, Biochemical Pathways continues to garner praise from students, instructors, and researchers for its clear, full-color illustrations of the pathways and networks that determine biological function.Trade Review“Michal and Schomburg (Technische Univ. Carolo-Whilhelmina, Germany) have reorganized, updated, and greatly expanded (over 100 pages of new content) this unique resource, keeping it an essential biochemical reference. Summing Up: Essential. Biochemistry collections, upper-division undergraduates through professionals.” (Choice, 1 August 2013) “Biochemical Pathways, Second Edition is recommended for all students and researchers in such fields as biochemistry, molecular biology, medicine, organic chemistry, and pharmacology. The book's illustrated pathways aids the reader in understanding the complex set of biochemical reactions that occur in biological systems.” (Kingbook73.blogspot, 23 April 2013) “This book, not too scary to read thanks to its compact size, served as a great reading for the incoming graduate students from the biology department and the chemical engineering department alike.” (Biotechnology Journal, 1 January 2013)Table of ContentsPreface to the Second Edition ix From the Preface to the First Edition x Contributors xi 1 Introduction and General Aspects 1 Gerhard Michal and Dietmar Schomburg 1.1 Organization of This Book 1 1.1.1 Conventions Used in This Book 3 1.1.2 Common Abbreviations 3 1.2 Carbohydrate Chemistry and Structure 4 1.2.1 Structure and Classification 4 1.2.2 Glycosidic Bonds 5 1.3 Amino Acid Chemistry and Structure 5 1.3.1 Structure and Classification 6 1.3.2 Peptide Bonds 6 1.4 Lipid Chemistry and Structure 6 1.4.1 Fatty acids 6 1.4.2 Acylglycerols and Derivatives 7 1.4.3 Waxes 7 1.4.4 Glycerophospholipids 7 1.4.5 Plasmalogens 7 1.4.6 Sphingolipids 7 1.4.7 Steroids 8 1.4.8 Lipoproteins 8 1.5 Physico-Chemical Aspects of Biochemical Processess 8 1.5.1 Energetics of Chemical Reactions 8 1.5.2 Redox Reactions 9 1.5.3 Transport Through Membranes 9 1.5.4 Enzyme Kinetics 10 2 The Cell and Its Contents 14 Gerhard Michal and Dietmar Schomburg 2.1 Classification of Living Organisms 14 2.2 Structure of Cells 14 2.2.1 Prokaryotic Cells 14 2.2.2 General Characteristics of Eukaryotic Cells 15 2.2.3 Special Structures of Plant Cells 17 2.2.4 Special Structures of Animal Cells 18 2.3 Protein Structure and Function 18 2.3.1 Levels of Organization 19 2.3.2 Protein Function 21 2.4 Enzymes 21 2.4.1 Catalytic Mechanism 21 2.4.2 Isoenzymes 23 2.4.3 Multienzyme Complexes 23 2.4.4 Reaction Rate 23 2.4.5 Classification of Enzymes 23 2.5 Regulation of the Enzyme Activity 24 2.5.1 Regulation of the Quantity of Enzymes 24 2.5.2 Regulation of the Activity of Enzymes 24 2.5.3 Site of Regulation 26 2.6 Nucleic Acid Structure 26 2.6.1 Components of Nucleic Acids 26 2.6.2 Properties of RNA Chains 27 2.6.3 Properties of DNA Chains 27 2.6.4 Compaction Levels of DNA Chains 28 2.7 Genetic Code and the Flow of Information 30 2.7.1 From DNA to RNA 30 2.7.2 From Nucleic Acids to Proteins – The Genetic Code 30 2.7.3 Influence of Errors 31 2.8 Polymeric Carbohydrates 31 2.8.1 Polymeric Carbohydrates in Energy Storage 31 2.8.2 Polymeric Carbohydrates as Structural Elements 32 2.9 Glycosylated Proteins and Peptides 32 2.9.1 Glycoproteins 33 2.9.2 Proteoglycans 33 2.9.3 Peptidoglycans 35 2.10 Lipid Aggregates and Membranes 35 3 Metabolism 37 3.1 Carbohydrate Metabolism and Citrate Cycle 37 Röbbe Wünschiers 3.1.1 Glycolysis and Gluconeogenesis 37 3.1.2 Polysaccharide Metabolism 42 3.1.3 Pyruvate Turnover and Acetyl-Coenzyme A 46 3.1.4 Di- and Oligosaccharides 48 3.1.5 Metabolism of Hexose Derivatives 48 3.1.6 Pentose Metabolism 51 3.1.7 Amino Sugars 54 3.1.8 Citrate Cycle 55 3.1.9 Glyoxylate Metabolism 57 3.2 Amino Acids and Derivatives 58 Röbbe Wünschiers 3.2.1 Nitrogen Fixation and Metabolism 58 3.2.2 Glutamate, Glutamine, Alanine, Aspartate, Asparagine and Ammonia Turnover 59 3.2.3 Proline and Hydroxyproline 62 3.2.4 Serine and Glycine 62 3.2.5 Lysine, Threonine, Methionine, Cysteine and Sulfur Metabolism 65 3.2.6 Leucine, Isoleucine and Valine 72 3.2.7 Phenylalanine, Tyrosine, Tryptophan and Derivatives 74 3.2.8 Histidine 79 3.2.9 Urea Cycle, Arginine and Associated Reactions 80 3.3 Tetrapyrroles 82 Martina Jahn and Dieter Jahn 3.3.1 Pathways for the Biosynthesis of Tetrapyrroles 82 3.3.2 Heme and Cytochrome Biosynthesis 86 3.3.3 Linear Tetrapyrroles 87 3.3.4 Biosynthesis of Chlorophylls 90 3.3.5 Biosynthesis of Cobalamins 91 3.3.6 Siroheme Biosynthesis 91 3.4 Lipids and Glycolipids 93 Röbbe Wünschiers 3.4.1 Fatty Acids and Acyl-CoA 93 3.4.2 Triacylglycerols (Triglycerides) 98 3.4.3 Phospholipids 100 3.4.4 Glycolipids 104 3.5 Steroids and Isoprenoids 107 Röbbe Wünschiers 3.5.1 Cholesterol 107 3.5.2 Hopanoids, Steroids of Plants and Insects 110 3.5.3 Isoprenoids 111 3.5.4 Steroid Hormones 114 3.5.5 Gestagen 115 3.5.6 Androgens 116 3.5.7 Estrogens 117 3.5.8 Corticosteroids 119 3.5.9 Bile Acids 121 3.6 Nucleotides and Nucleosides 124 Röbbe Wünschiers 3.6.1 Purine Nucleotides and Nucleosides 124 3.6.2 Pyrimidine Nucleotides and Nucleosides 130 3.7 Cofactors and Vitamins 133 Ida Schomburg 3.7.1 Retinol (Vitamin A) 133 3.7.2 Thiamin (Vitamin B 1) 134 3.7.3 Riboflavin (Vitamin B 2), FMN and FAD 135 3.7.4 Pyridoxine (Vitamin B 6) 136 3.7.5 Cobalamin (Coenzyme B 12, Vitamin B 12) 137 3.7.6 Folate and Pterines 138 3.7.7 Pantothenate, Coenzyme A and Acyl Carrier Protein (ACP) 141 3.7.8 Biotin 141 3.7.9 Nicotinate, NAD + and NADP + 143 3.7.10 Ascorbate (Vitamin C) 145 3.7.11 Calciferol (Vitamin D) 146 3.7.12 Tocopherol (Vitamin E) 148 3.7.13 Phylloquinone and Menaquinone (Vitamin K) 148 3.7.14 Other Compounds 149 3.8 Nucleic Acid Metabolism in Bacteria 149 Susanne Peifer and Elmar Heinzle 3.8.1 Bacterial DNA Replication 149 3.8.2 Bacterial DNA Repair 151 3.8.3 Degradation of Nucleic Acids 156 3.9 Nucleic Acid Metabolism in Eukarya 157 Helmut Burtscher 3.9.1 Eukaryotic DNA Replication 157 3.9.2 Eukaryotic DNA Repair 162 3.10 Special Bacterial Metabolism and Biosynthesis of Antimicrobials 164 Julia Garbe, Annika Steen and Max Schobert 3.10.1 Bacterial Envelope 164 3.10.2 Bacterial Protein Export across the Cytoplasmic Membrane 166 3.10.3 Protein Transport across the Outer Membrane of Gram-Negative Bacteria 167 3.10.4 Bacterial Transport Systems 168 3.10.5 Bacterial Fermentations 169 3.10.6 Anaerobic Respiration 173 3.10.7 Chemolithotrophy 175 3.10.8 Quinoenzymes, Alkane and Methane Oxidation 178 3.10.9 Antibiotics 179 3.11 Electron Transfer Reactions and Oxidative Phosphorylation 183 Martina Jahn and Dieter Jahn 3.11.1 General Principles 183 3.11.2 Different types of electron transport chains 183 3.11.3 The Energetic Basis of the Oxidative Phosphorylation 183 3.11.4 Electron Transport System in Mitochondria and Bacteria 184 3.12 Photosynthesis 188 Dieter Oesterhelt and Josef Wachtveitl 3.12.1 Light Reaction 188 3.12.2 Dark Reactions 192 3.13 Plant Secondary Metabolism 193 Antje Chang 3.13.1 Phenolics 194 3.13.2 Terpenoids 198 3.13.3 Nitrogen-containing Secondary Metabolites 201 4 Protein Biosynthesis, Modifications and Degradation 210 4.1 Protein Synthesis in Bacteria 210 Martina Jahn and Dieter Jahn 4.1.1 Bacterial Transcription 210 4.1.2 Regulation of Bacterial Gene Expression 212 4.1.3 Bacterial Protein Synthesis 214 4.1.4 Degradation of Nucleic Acids 217 4.2 Protein Biosynthesis in Eukarya 219 Röbbe Wünschiers 4.2.1 Eukaryotic Transcription 219 4.2.2 Regulation of Eukaryotic Transcription 226 4.2.3 Eukaryotic Translation 228 4.2.4 Translational Regulation 231 4.2.5 mRNA Degradation 231 4.3 Cell Cycle in Eukarya 232 Stefan Ries 4.3.1 Core Components of the Cell Cycle Machinery 232 4.3.2 Cell Cycle Regulation in Yeast 234 4.3.3 G 1 to S Transition in Mammalian Cells 234 4.3.4 G 2 to M Transition in Mammalian Cells 235 4.3.5 Mitosis in Mammalian Cells 235 4.3.6 Cell Cycle Checkpoints 236 4.4 Posttranslational Modification of Proteins 238 Röbbe Wünschiers 4.4.1 Protein Processing in the Endoplasmic Reticulum 238 4.4.2 Glycosylation Reactions in the Golgi Apparatus 241 4.4.3 Terminal Carbohydrate Structures of Glycoconjugates 243 4.5 Protein Folding, Transport / Targeting and Degradation 244 Petra Dersch 4.5.1 Folding of Proteins 244 4.5.2 Vesicular Transport and Secretion of Proteins 248 4.5.3 Protein Transport into the Nucleus 249 4.5.4 Protein Transport into Mitochondria 252 4.5.5 Protein Transport into Chloroplasts 254 4.5.6 Protein Degradation 256 4.5.7 Protein Degradation by the Ubiquitin-Proteasome System 258 5 Viruses 261 Klaus Klumpp 5.1 General Characteristics of Viruses 261 5.1.1 Genomic Characteristics of Viruses 261 5.1.2 Structure 263 5.2 DNA Viruses 264 5.2.1 Papillomavirus 264 5.3 RNA Viruses 267 5.3.1 Hepatitis C Virus 267 5.4 Retroviruses 268 5.4.1 Human Immunodeficiency Virus (HIV) 268 6 Transport 272 6.1 Transport Through Membranes 272 Wilhelm Just 6.1.1 Systems of Eukaryotic Membrane Passage 272 6.1.2 Channels / Pores 272 6.1.3 Solute Carriers 276 6.1.4 Primary Active Transport Systems 277 6.1.5 Import by Endocytosis and Pinocytosis 278 6.1.6 The Cytoskeleton as Means for Intracellular Transport and Cellular Movements in Eukarya 278 6.2 Transport of Lipids in Plasma 279 Horst Klima 6.2.1 Apolipoproteins (Apo) 279 6.2.2 Plasma Lipoprotein Metabolism 279 6.2.3 Lipid Transport Proteins 281 6.2.4 Lipoprotein Receptors 281 6.2.5 Lipid Metabolic Disorders 282 6.3 Oxygen Transport by Hemoglobin 282 Gerhard Michal 6.3.1 Biosynthesis and Properties of Hemoglobin and Myoglobin 282 6.3.2 Oxygen Binding to Hemo- and Myoglobin 283 6.3.3 Hemoglobin Diseases in Humans 285 7 Signal Transduction and Cellular Communication 286 Gerhard Niederfellner 7.1 Intercellular Signal Transmission by Hormones 286 7.1.1 General Characteristics of Hormones 286 7.1.2 General Characteristics of Receptors 286 7.1.3 Insulin and Glucagon 287 7.1.4 Epinephrine and Norepinephrine (Catecholamines) 287 7.1.5 Hypothalamus-Anterior Pituitary Hormone System 287 7.1.6 Placental Hormones 291 7.1.7 Hormones Regulating the Extracellular Ca ++, Mg ++ and Phosphate Concentrations 292 7.1.8 Hormones Regulating the Na + Concentration and the Water Balance 292 7.1.9 Hormones of the Gastrointestinal Tract 293 7.2 Nerve Conduction and Synaptic Transmission 294 7.2.1 Membrane Potential 294 7.2.2 Conduction of the Action Potential along the Axon 294 7.2.3 Transmitter Gated Signalling at the Synapse 294 7.2.4 Voltage Gated Signalling at the Synapse 296 7.2.5 Postsynaptic Receptors 296 7.2.6 Axonal Transport 296 7.3 Principles of Intracellular Communication 296 7.4 Receptors Coupled to Heterotrimeric G-Proteins 299 7.4.1 Mechanism of Heterotrimeric G-Protein Action 300 7.4.2 cAMP Metabolism, Activation of Adenylate Cyclase and Protein Kinase A 302 7.4.3 Activation of Phospholipase c and Protein Kinase c 302 7.4.4 Metabolic Role of Inositol Phosphates and Ca ++ 303 7.4.5 Muscle Contraction 305 7.4.6 Visual Process 307 7.4.7 Olfactory and Gustatory Processes 308 7.4.8 Arachidonate Metabolism and Eicosanoids 309 7.5 Receptors Acting Through Tyrosine Kinases 311 7.5.1 Regulatory Factors for Cell Growth and Function 311 7.5.2 Components of the Signal Cascades 311 7.5.3 Receptor Tyrosine Kinases 312 7.5.4. Tyrosine Kinase-Associated Receptors (TKaR) 315 7.6 Programmed Cell Death (Apoptosis) 319 7.7 Receptors for Steroid and Thyroid Hormones, for Retinoids and Vitamin D 321 7.8 Cyclic GMP Dependent Pathways and Effects of Nitric Oxide (NO) 322 7.8.1 Membrane Bound Guanylate Cyclases 323 7.8.2 Soluble Guanylate Cyclases and Their Activation by Nitric Oxide (NO) 323 7.8.3 Protein Kinase G 323 8 Immune System 325 Ernst Peter Rieber 8.1 Components of the Immune System 325 8.1.1 Innate, Non Adaptive Immune System 325 8.1.2 Specific, Adaptive Immune System 328 8.1.3 Development and Maturation of the Cellular Components 328 8.1.4 Antigen Receptor of B Lymphocytes, Antibodies 330 8.1.5 Complement System 334 8.1.6 Antigen Receptor of T Lymphocytes 336 8.1.7 Antigen Presentation by MHC Molecules 337 8.1.8 Cytokines, Chemokines and Receptors 338 8.2 Generation of a Specific Immune Response 343 8.2.1 Activation of T Cells 343 8.2.2 CD4 + T Effector Cells, Regulation of the Immune Response 344 8.2.3 Activation of B Cells 345 8.2.4 Lymphocyte Circulation and Generation of Cellular and Humoral Immune Responses in Lymphoid Tissue 345 8.2.5 Cellular Cytotoxicity and Apoptosis 347 8.2.6 Interactions between the Immune System and the Neuroendocrine System 350 8.2.7 Immunological Tolerance 350 8.2.8 Induction of Specific Immune Responses against Pathogens 351 8.3 Pathologic Immune responses 352 8.3.1 IgE-Mediated Hypersensitivity of the Immediate Type 352 8.3.2 Autoimmunity 353 8.4 Adhesion of Leukocytes 354 Anton Haselbeck 9 Blood Coagulation and Fibrinolysis 357 Peter Müller 9.1 Hemostasis 357 9.2 Initial Reactions 358 9.2.1 Reactions Initiated by the Tissue Factor 358 9.2.2 Contact Activation 358 9.2.3 Generation of Binding Surfaces 358 9.3 Coagulation Propagation and Control 359 9.3.1 Requirements for Protease Activity 359 9.3.2 Pathways Leading to Thrombin 359 9.3.3 Key Events 359 9.3.4 Controlled Propagation 360 9.3.5 Generation of Fibrin 361 9.4 Platelets (Thrombocytes) 362 9.5 Fibrinolysis 364 9.5.1 Pathways of Plasminogen Activation 364 9.5.2 Control of Fibrinolysis 365 10 Biochemical Networks, Bioinformatics and Systems Biology 366 Dietmar Schomburg 10.1 Systems Biology and Networks 366 10.2 Modeling of Metabolic Fluxes 366 10.3 Biochemical Pathways Information Resources 366 10.3.1 Overview 366 10.3.2 Detailed Description of Some Databases 367 Index 374

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Book SynopsisThe ultimate guide to the smells of the universe – the ambrosial to the malodorous, and everything in between – from the author of the acclaimed culinary guides On Food and Cooking and Keys to Good CookingFrom Harold McGee, James Beard Award-winning author and leading expert on the science of food and cooking, comes an extensive exploration of the long-overlooked world of smell. In Nose Dive, McGee takes us on a sensory adventure, from the sulfurous nascent earth more than four billion years ago, to the fruit-filled Tian Shan mountain range north of the Himalayas, to the keyboard of your laptop, where trace notes of phenol and formaldehyde escape between the keys. We'll sniff the ordinary (wet pavement and cut grass) and the extraordinary (ambergris and truffles), the delightful (roses and vanilla) and the challenging (swamplands and durians). We'll smell one another. We'll smell ourselves. Through it all, McGee familiarizes

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Book SynopsisThis unique book shows how chemistry and physics come together in the solid state and on surfaces. Using a lively, graphic, descriptive approach, it teaches chemists the language that is necessary to understand the electronic structure of extended systems.Table of ContentsPreface Introduction Orbitals and Bands in One Dimension Bloch Functions, k, Band Structures Band Width See How they Run An Eclipsed Stack of Pt(II) Square Planar Complexes The Fermi Level More Dimensions, At Least Two Setting Up a Surface Problem Density of States Where Are The Electrons? The Detective Work of Tracing Molecule-Surface Interactions: Decomposition of the DOS Where Are the Bonds? A Solid State Sample Problem: ThCr_2Si_2 Structure The Frontier Orbital Perspective Orbital Interaction on a Surface A Case Study: CO on Ni(100) Barriers to Chemisorption Chemisorption Is a Compromise Frontiers Orbitals in Three-Dimensional Extended Structures More Than One Electronic Unit in the Unit Cell, Folding Bands Making Bonds in a Crystal The Peierls Distortion A Brief Excursion into the Third Dimension Qualitative Reasoning About Orbital Interactions on Surfaces The Fermi Level Matters Another Methodology and Some Credits What's New in the Solid References Index

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Book SynopsisClassic textbook for an introductory course in nuclear reactor analysis that introduces the nuclear engineering student to the basic scientific principles of nuclear fission chain reactions and lays a foundation for the subsequent application of these principles to the nuclear design and analysis of reactor cores.Table of ContentsPart 1: Introductory Concepts Of Nuclear Reactor Analysis Chapter 1: An Introduction to Nuclear Power Generation 3 Chapter 2: The Nuclear Physics of Fission Chain Reactions 10 Chapter 3: Fission Chain Reactions and Nuclear Reactor--An Introduction 74 Part 2: The One-Speed Diffusion Model Of A Nuclear Reactor Chapter 4: Neutron Transport 103 Chapter 5: The One-Speed Diffusion-Theory Model 149 Chapter 6: Nuclear Reactor Kinetics 233 Part 3: The Multigroup Diffusion Method Chapter 7: Multigroup Diffusion Theory 285 Chapter 8: Fast-Spectrum Calculations and Fast-Group Constants 315 Chapter 9: Thermal Spectrum Calculations and Thermal Group Constants 375 Chapter 10: Cell Calculations for Heterogeneous Core Lattices 398 Part 4: An Introduction To Nuclear Reactor-Core Design Chapter 11: General Aspects of Nuclear Reactor Core Design 447 Chapter 12: Thermo-Hydraulic Analysis of Nuclear Reactor Cores 467 Chapter 13: The Calculation of Core Power Distributions 515 Chapter 14: Reactivity Control 537 Chapter 15: Analysis of Core-Composition Changes 566 Appendices A. Some useful Nuclear Data 605 B. Some useful Mathematical Formulas 611 C. Step Functions, Delta Functions, and Other Exotic Beasts 613 D. Some Properties of Special Functions 616 E. Some Assorted Facts on Linear Operators 621 F. An Introduction to Matrices and Matrix Algebra 626 G. An Introduction to Laplace Transforms 629 H. Typical Nuclear Power Reactor Data 634 I. Units Utilized in Text 636 Index 639

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Book SynopsisThis book provides a user-friendly, hands-on introduction to the Nonlinear Mixed Effects Modeling (NONMEM) system, the most powerful tool for pharmacokinetic / pharmacodynamic analysis. Introduces requisite background to using Nonlinear Mixed Effects Modeling (NONMEM), covering data requirements, model building and evaluation, and quality control aspects Provides examples of nonlinear modeling concepts and estimation basics with discussion on the model building process and applications of empirical Bayesian estimates in the drug development environment Includes detailed chapters on data set structure, developing control streams for modeling and simulation, model applications, interpretation of NONMEM output and results, and quality control Has datasets, programming code, and practice exercises with solutions, available on a supplementary websiteTrade Review“This book may make the “User Guide V experience” a story from the good old times for the next generation of pharmacometricians.” (CPT: Pharmacometrics & Systems Pharmacology, 22 December 2014)Table of ContentsPreface xiii CHAPTER 1 The Practice of Pharmacometrics 1 1.1 Introduction 1 1.2 Applications of Sparse Data Analysis 2 1.3 Impact of Pharmacometrics 4 1.4 Clinical Example 5 CHAPTER 2 Population Model Concepts and Terminology 9 2.1 Introduction 9 2.2 Model Elements 10 2.3 Individual Subject Models 11 2.4 Population Models 12 2.4.1 Fixed-Effect Parameters 13 2.4.2 Random-Effect Parameters 14 2.5 Models of Random Between-Subject Variability (L1) 17 2.5.1 Additive Variation 17 2.5.2 Constant Coefficient of Variation 18 2.5.3 Exponential Variation 18 2.5.4 Modeling Sources of Between-Subject Variation 19 2.6 Models of Random Variability in Observations (L2) 19 2.6.1 Additive Variation 20 2.6.2 Constant Coefficient of Variation 21 2.6.3 Additive Plus CCV Model 22 2.6.4 Log-Error Model 24 2.6.5 Relationship Between RV Expressions and Predicted Concentrations 24 2.6.6 Significance of the Magnitude of RV 25 2.7 Estimation Methods 26 2.8 Objective Function 26 2.9 Bayesian Estimation 27 CHAPTER 3 NONMEM Overview and Writing an NM-TRAN Control Stream 28 3.1 Introduction 28 3.2 Components of the NONMEM System 28 3.3 General Rules 30 3.4 Required Control Stream Components 31 3.4.1 $PROBLEM Record 31 3.4.2 The $DATA Record 32 3.4.3 The $INPUT Record 35 3.5 Specifying the Model in NM-TRAN 35 3.5.1 Calling PREDPP Subroutines for Specific PK Models 35 3.5.2 Specifying the Model in the $PK Block 38 3.5.3 Specifying Residual Variability in the $ERROR Block 45 3.5.4 Specifying Models Using the $PRED Block 49 3.6 Specifying Initial Estimates with $THETA, $OMEGA, and $SIGMA 50 3.7 Requesting Estimation and Related Options 56 3.8 Requesting Estimates of the Precision of Parameter Estimates 62 3.9 Controlling the Output 63 CHAPTER 4 Datasets 66 4.1 Introduction 66 4.2 Arrangement of the Dataset 68 4.3 Variables of the Dataset 71 4.3.1 TIME 71 4.3.2 DATE 71 4.3.3 ID 72 4.3.4 DV 74 4.3.5 MDV 74 4.3.6 CMT 74 4.3.7 EVID 75 4.3.8 AMT 76 4.3.9 RATE 77 4.3.10 ADDL 78 4.3.11 II 79 4.3.12 SS 80 4.4 Constructing Datasets with Flexibility to Apply Alternate Models 80 4.5 Examples of Event Records 81 4.5.1 Alternatives for Specifying Time 81 4.5.2 Infusions and Zero-Order Input 81 4.5.3 Using ADDL 82 4.5.4 Steady-State Approach 83 4.5.5 Samples Before and After Achieving Steady State 83 4.5.6 Unscheduled Doses in a Steady-State Regimen 84 4.5.7 Steady-State Dosing with an Irregular Dosing Interval 84 4.5.8 Multiple Routes of Administration 85 4.5.9 Modeling Multiple Dependent Variable Data Types 86 4.5.10 Dataset for $PRED 86 4.6 Beyond Doses and Observations 87 4.6.1 Other Data Items 87 4.6.2 Covariate Changes over Time 88 4.6.3 Inclusion of a Header Row 89 CHAPTER 5 Model Building: Typical Process 90 5.1 Introduction 90 5.2 Analysis Planning 90 5.3 Analysis Dataset Creation 92 5.4 Dataset Quality Control 93 5.5 Exploratory Data Analysis 94 5.5.1 EDA: Population Description 95 5.5.2 EDA: Dose-Related Data 99 5.5.3 EDA: Concentration-Related Data 99 5.5.4 EDA: Considerations with Large Datasets 111 5.5.5 EDA: Summary 115 5.6 Base Model Development 116 5.6.1 Standard Model Diagnostic Plots and Interpretation 116 5.6.2 Estimation of Random Effects 130 5.6.3 Precision of Parameter Estimates (Based on $COV Step) 137 5.7 Covariate Evaluation 138 5.7.1 Covariate Evaluation Methodologies 140 5.7.2 Statistical Basis for Covariate Selection 141 5.7.3 Diagnostic Plots to Illustrate Parameter-Covariate Relationships 143 5.7.4 Typical Functional Forms for Covariate-Parameter Relationships 148 5.7.5 Centering Covariate Effects 156 5.7.6 Forward Selection Process 160 5.7.7 Evaluation of the Full Multivariable Model 167 5.7.8 Backward Elimination Process 169 5.7.9 Other Covariate Evaluation Approaches 171 5.8 Model Refinement 172 CHAPTER 6 Interpreting the NONMEM Output 178 6.1 Introduction 178 6.2 Description of the Output Files 178 6.3 The NONMEM Report File 179 6.3.1 NONMEM-Related Output 179 6.3.2 PREDPP-Related Output 180 6.3.3 Output from Monitoring of the Search 180 6.3.4 Minimum Value of the Objective Function and Final Parameter Estimates 182 6.3.5 Covariance Step Output 186 6.3.6 Additional Output 187 6.4 Error Messages: Interpretation and Resolution 188 6.4.1 NM-TRAN Errors 188 6.4.2 $ESTIMATION Step Failures 189 6.4.3 $COVARIANCE Step Failures 190 6.4.4 PREDPP Errors 191 6.4.5 Other Types of NONMEM Errors 192 6.4.6 FORTRAN Compiler or Other Run-Time Errors 193 6.5 General Suggestions for Diagnosing Problems 193 CHAPTER 7 App lications Using Parameter Estimates from the Individual 198 7.1 Introduction 198 7.2 Bayes Theorem and Individual Parameter Estimates 200 7.3 Obtaining Individual Parameter Estimates 202 7.4 Applications of Individual Parameter Estimates 204 7.4.1 Generating Subject-Specific Exposure Estimates 204 7.4.2 Individual Exposure Estimates for Group Comparisons 210 CHAPTER 8 Introduction to Model Evaluation 212 8.1 Introduction 212 8.2 Internal Validation 212 8.3 External Validation 213 8.4 Predictive Performance Assessment 214 8.5 Objective Function Mapping 217 8.6 Leverage Analysis 220 8.7 Bootstrap Procedures 222 8.8 Visual and Numerical Predictive Check Procedures 223 8.8.1 The VPC Procedure 223 8.8.2 Presentation of VPC Results 225 8.8.3 The Numerical Predictive Check (NPC) Procedure 229 8.9 Posterior Predictive Check Procedures 229 CHAPTER 9 User-Written Models 232 9.1 Introduction 232 9.2 $MODEL 235 9.3 $SUBROUTINES 236 9.3.1 General Linear Models (ADVAN5 and ADVAN7) 236 9.3.2 General Nonlinear Models (ADVAN6, ADVAN8, ADVAN9, and ADVAN13) 238 9.3.3 $DES 238 9.4 A Series of Examples 240 9.4.1 Defined Fractions Absorbed by Zero- and First-Order Processes 240 9.4.2 Sequential Absorption with First-Order Rates, without Defined Fractions 242 9.4.3 Parallel Zero-Order and First-Order Absorption, without Defined Fractions 243 9.4.4 Parallel First-Order Absorption Processes, without Defined Fractions 245 9.4.5 Zero-Order Input into the Depot Compartment 246 9.4.6 Parent and Metabolite Model: Differential Equations 247 CHAPTER 10 PK/PD Models 250 10.1 Introduction 250 10.2 Implementation of PD Models in NONMEM 251 10.3 $PRED 252 10.3.1 Direct-Effect PK/PD Examples: PK Concentrations in the Dataset 253 10.3.2 Direct-Effect PK/PD Example: PK from Computed Concentrations 255 10.4 $PK 256 10.4.1 Specific ADVANs (ADVAN1–ADVAN4 and ADVAN10–ADVAN12) 256 10.4.2 General ADVANs (ADVAN5–ADVAN9 and ADVAN13) 257 10.4.3 PREDPP: Effect Compartment Link Model Example (PD in $ERROR) 257 10.4.4 PREDPP: Indirect Response Model Example: PD in $DES 259 10.5 Odd-Type Data: Analysis of Noncontinuous Data 261 10.6 PD Model Complexity 262 10.7 Communication of Results 263 CHAPTER 11 Simulation Basics 265 11.1 Introduction 265 11.2 The Simulation Plan 265 11.2.1 Simulation Components 266 11.2.2 The Input–Output Model 266 11.2.3 The Covariate Distribution Model 270 11.2.4 The Trial Execution Model 273 11.2.5 Replication of the Study 274 11.2.6 Analysis of the Simulated Data 275 11.2.7 Decision Making Using Simulations 275 11.3 Miscellaneous Other Simulation-Related Considerations 276 11.3.1 The Seed Value 276 11.3.2 Consideration of Parameter Uncertainty 277 11.3.3 Constraining Random Effects or Responses 278 CHAPTER 12 Quality Control 285 12.1 Introduction 285 12.2 QC of the Data Analysis Plan 285 12.3 Analysis Dataset Creation 286 12.3.1 Exploratory Data Analysis and Its Role in Dataset QC 287 12.3.2 QC in Data Collection 287 12.4 QC of Model Development 288 12.4.1 QC of NM-TRAN Control Streams 289 12.4.2 Model Diagnostic Plots and Model Evaluation Steps as QC 290 12.5 Documentation of QC Efforts 290 12.6 Summary 291 References 292 Index 293

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Book SynopsisThis book provides guidance on characterizing, recognizing, and responding to warning signs to help avoid process incidents and injuries before they occur. The guidance can be used by both process safety management (PSM) professionals in evaluating their processes and PSM systems as well as for operators who are often the frontline defense against process incidents. Warning signs may consist of process deviations or upsets, instrumentation warnings or alarms, past operating history and incidents, observable problems such as corrosion or unusual odors, audit results indicating procedures are not being followed, or a number of other indicators. Filled with photos and practical tips, this book will turn anyone in a process plant into a hazard lookout and will help prevent potential incidents before they turn into catastrophic events.

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Book SynopsisA multi-disciplinary, multi-industry overview of microbiologically influenced corrosion, with strategies for diagnosis and control or prevention Microbiologically Influenced Corrosion helps engineers and scientists understand and combat the costly failures that occur due to microbiologically influenced corrosion (MIC).Trade Review"...strongly recommended for engineers and scientists that design components that might be exposed to MIC…would also make an excellent text…" (Journal of Metals Online, October 23, 2007)Table of Contents1. Biofilm Formation. 2. Causative Organisms and Possible Mechanisms. 3. Diagnosing MIC. 4. Electrochemical Techniques Applied to MIC. 5. Approaches for Monitoring MIC. 6. Impact of Alloying Elements to Susceptibility of MIC. 7. Design Features that Determine MIC. 8. Case Histories. 9. MIC of Non-metallics. 10. Strategies to Prevent or Mitigate MIC.

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Book SynopsisTransforming Matter provides an accessible and clearly written introduction to the history of chemistry, telling the story of how the discipline has developed over the years.Trade ReviewLevere's book is commendably clear, with good explanations of numerous concepts... It is an excellent textbook for practicing chemists and chemistry students. -- Peter Morris New Scientist Excellent... In Trevor H. Levere's book Transforming Matter, this topic [when did chemistry become a science] is explained with precision and clarity, alongside other aspects of the history of chemistry... Most suitable for readers studying the history of chemistry as part of their education... [though] the general reader with more than a passing interest in the development of modern science would find much of interest. -- Anthony R. Butler American Scientist What makes this book enjoyable is its personal tone. The reader feels as if he or she was listening to a course of lectures each of which has its own little dramaturgy and message... Transforming Matter is a book science students will enjoy. It gives a good sense of the intellectual fascination involved in man's open-ended quest for understanding the material world and its inner structures. And it may also encourage to taste some of the fascination the history of chemistry has to offer. -- Christoph Meinel Ambix Transforming Matter is targeted at newcomers to the subject, whether or not they have a background in the sciences. Formulas and technicalities are kept to a minimum, and it says much of Levere's skill as a popularizer that despite these restrictions, he is able to give lucid and accurate accounts of the principles of thermodynamics in an excellent chapter on the rise of physical chemistry. The book is interspersed with aptly chosen black-and-white illustrations accompanied by boxed texts that complement the main narrative... Instructors who want a readable, reliable, and general introductory text for arts and sciences students... will find this beautifully crafted textbook highly commendable. -- William H. Brock Chemical Heritage Levere's book is commendably up to date, and amazingly full of information... His book can be recommended for students as readable and reliable. It is expository, didactic and clear. -- David Knight British Journal for the History of Science An excellent short history of chemistry. -- Michael Sutton Chemistry in Britain A solid treatment of the complex process by which chemistry has evolved. Choice Transforming Matter is an excellent introduction to the personalities and philosophies behind the development of chemistry... an ideal source for those outside the profession needing or wanting some grounding in the evolution of chemistry. -- Jonathan Nabe E-StreamsTable of ContentsContents: 1 First Steps: From Alchemy to Chemistry? 2 Robert Boyle: Chemistry and Experiment 3 A German Story: What Burns, and How 4 An Enlightened Discipline: Chemistry as Science and Craft 5 Different Kinds of Air 6 Theory and Practice: The Tools of Revolution 7 Atoms and Elements 8 The Rise of Organic Chemistry 9 Atomic Weights Revisited 10 The Birth of the Teaching-Research Laboratory 11 Atoms in Space 12 Physical Chemistry 13 The Nature of the Chemical Bond 14 Conclusion: Where Now, and Where Next? New Frontiers

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Book SynopsisThe Winning Equation for Success in Chemistry is Practice, Practice, Practice!This book will help you apply concepts and see how chemistry topics are interconnected. Inside are numerous lessons to help you better understand the subject. These lessons are accompanied by dozens of exercises to practice what youâve learned, along with a complete answer key to check your work. Throughout this book you will learn the terms to help you understand chemistry, and you will expand your knowledge of the subject through hundreds of sample questions and their solutions. With the lessons in this book, you will find it easier than ever to grasp chemistry concepts. And with a variety of exercises for practice, you will gain confidence using your growing chemistry skills in your classwork and on exams.YOUâLL BE ON YOUR WAY TO MASTERING THESE TOPICS AND MOREâ

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Book SynopsisHow the marriage ofIndustry4.0and theCircularEconomycanradicallytransform waste managementandourworld Do wereallyhave to make a choice between a wastelessand nonproductiveworldorawastefulandultimately self-destructive one? Futuristandworld-renownedwaste managementscientistAntonis Mavropoulosand sustainablebusiness developer and digital strategist Anders Nilsenrespondwitha ringing and optimisticNo!TheyexploretheEarth-changingpotential ofa happy (and wasteless)marriage betweenIndustry 4.0andaCircularEconomythat couldwithproperlyreshapedwastemanagement practicesdelivertransformativeenvironmental, health, and societalbenefits.This book is about the possibility of abrand-newworld and the challenges to achieve it. Thefourth industrial revolutionhasgiven us innovationsincludingrobotics, artificial intelligence,3D-printing, andbiotech.Byusingthesetechnologiestoadvance theCircular Economywhereindustryproduces more durable materials andruns onits own byproductsthe wastemanagementindustrywill become a central element of a more sustainable world andcan ensure itsown, but well beyond business as usual,future.Mavropoulos and Nilsenlook at howthis can be achieveda wasteless world will requiremorewaste managementand examineobstacles and opportunities such asdemographics, urbanization, global warming,andthe environmental straincausedbythe rise of theglobalmiddle class. Explorethenewprevention, reduction,and elimination methodstransformingwaste management Comprehend and capitalizeon the business implicationsfor the sector Understandthe theory viapractical examples and case studies Appreciate the social benefitsofthe new approach Waste-managementhasalwaysbeen vital for theprotection ofhealth and the environment.Now itcanbecomeacrucialrole modelinshowing howIndustry4.0and theCircular Economycanconvergeto ensureflourishing, sustainableand muchbrighterfuture. Table of ContentsForeword 1 xi Foreword 2 xiii Foreword 3 xvii Series Preface xxi Preface xxiii About the Authors xxv About the Graphic Designer xxvii Endorsements xxix Glossary xxxiii List of Acronyms xxxix Chapter 1: The End of Business as Usual 1 1.1 The Trillion-Dollar Question 2 1.2 The Future is Warmer, Urbanized, Polluted, and Resource-Hungry 3 1.3 It Can’t Happen Again 9 1.4 It’s About People, Not Waste 12 1.5 About This Book 15 References 18 Chapter 2: Understanding Industry 4.0 23 2.1 The Four Industrial Revolutions 24 2.1.1 The First Industrial Revolution 25 2.1.2 The Second Industrial Revolution 27 2.1.3 The Third Industrial Revolution 30 2.1.4 The Fourth Industrial Revolution 34 2.2 Industry 4.0 36 2.2.1 The Technologies that Drive the Revolution 38 2.2.1.1 Internet of Things 40 2.2.1.2 Artificial Intelligence (AI) 40 2.2.1.3 Machine Learning (ML) 40 2.2.1.4 Autonomous Robots 40 2.2.1.5 Virtual Simulators 40 2.2.1.6 New Human–Machine Interfaces 41 2.2.1.7 Encryption and Cybersecurity 41 2.2.1.8 Cloud and APIs 41 2.2.1.9 Additive Manufacturing 41 2.2.1.10 Blockchain 41 2.2.1.11 Advanced Materials 42 2.2.2 What Changes Can Industry 4.0 Enable? 43 2.2.2.1 Responsive and Flexible Production Systems 44 2.2.2.2 Integrated Ecosystems 44 2.2.2.3 Engineering for Life Cycle Throughout the Entire Value Chain 44 2.2.2.4 Acceleration by the Use of Exponential Technologies 44 2.2.3 Important Concepts in Industry 4.0 Systems 45 2.2.3.1 Predictive Maintenance 45 2.2.3.2 Digital Twins 46 2.2.3.3 Smart Factories 46 2.2.3.4 Industrial Symbiosis 46 2.2.3.5 Lights-Out Manufacturing 46 2.2.3.6 Edge Computing 47 2.2.4 Revolution or Evolution? 47 2.3 More with Less and the Rebound Effect 49 2.4 Radical Solutions to Difficult Problems 52 2.4.1 Transforming Business Models 53 2.4.2 Creating Collaborative Ecosystems 54 2.4.3 Killer Apps of the Industry 4.0 55 References 57 Chapter 3: Un(mis)understanding Circular Economy 61 3.1 A Global Trend 62 3.1.1 China and EU Are Leading the Way 62 3.1.2 Other Government Initiatives 64 3.1.3 Private Sector Initiatives 66 3.1.4 Why Now? 66 3.2 Circular Economy Comes from Our Past 69 3.2.1 The Post-World War II Acceleration 71 3.2.2 Industrialization Stimulated the Linearization of the Economy 72 3.3 What is a Circular Economy? 74 3.3.1 Hundred Fourteen Answers for One Question 77 3.4 From Good Intentions to Science 80 3.4.1 We Live in a “Full” World 82 3.4.2 Thermodynamics Are Fundamental 85 3.5 Circularity is not Sustainability 87 3.5.1 Anthropogenic Stocks Are Ignored but Rapidly Growing 90 3.5.2 What Can We Really Achieve Advancing Circular Economy? 92 3.6 The Butterfly Effect 93 3.6.1 How About Composite Materials? 96 3.6.2 The Importance of the System’s Boundaries 96 3.7 The End of Growth as We Know It 99 3.7.1 The End of “Green Growth” 101 3.7.2 IND4.0 and the Religion of Continuous Growth 102 3.8 Circular Economy for Whom? 104 3.8.1 The Social Footprint of Circular Economy is Shaped by Corporate Interests 106 3.8.2 Time to Rethink Governance 111 3.9 It’s Huge, Systemic, Uncertain but Urgently Needed 114 References 118 Chapter 4: Redefining Resources and Waste 125 4.1 IND4.0 Redefines Resources 126 4.1.1 The Energy Footprint of Digitalization 127 4.1.2 Metals Are Key for IND4.0 129 4.1.3 More Food and More Water 131 4.2 Redefining the Term “Waste” 132 4.2.1 A Brief Historical Overview 133 4.2.2 Future Waste Streams 136 4.2.3 Anthropogenic Stocks 136 4.2.4 Food Waste 139 4.2.5 Plastics 140 4.2.6 E-Waste 144 4.2.7 Other Important Waste Streams 146 4.3 Waste Hierarchy: Upgraded or Obsolete? 147 4.3.1 Critiques About Waste Hierarchy 151 4.3.2 Looking for More Systemic and Complex Tools 154 4.3.3 Looking for Alternatives to Waste Hierarchy 158 4.4 Sorry, Recycling is Not Circular Economy 160 4.4.1 Weight-Based Targets Are Misleading 161 4.4.2 Searching for New Metrics 163 4.4.3 Losing My (Recycling) Religion 165 4.4.4 Why Do We Recycle? Service vs. Value Chain 167 4.4.5 Usual Misconceptions About Recycling 170 4.5 Waste Management Goes Beyond Waste 173 4.5.1 Complexity and Uncertainties Become the New Normal 178 4.6 Final Sinks During the Anthropocene 181 4.6.1 Chemical Pollution is a Serious Threat 183 4.6.2 Clean Material Cycles in Circular Economy Require More Final Finks 186 4.6.3 Circular Economy Needs More and Better Waste Management 188 4.6.4 Waste to Energy in Circular Economy 190 4.6.5 Sanitary Landfills in Circular Economy 191 4.7 Circularities for Materials-Linearities for People 193 References 200 Chapter 5: Waste Management 4.0 213 5.1 Perceptions and Reality 214 5.1.1 Expectations for Industry 4.0 214 5.1.2 The Hype and the Surprise 215 5.1.3 Dilemmas Facing Waste Management 218 5.1.4 An Ongoing Transformation 219 5.2 Hardware in Waste Management 221 5.2.1 The Connected Devices of Waste Management 222 5.2.1.1 Smartphones 222 5.2.1.2 Connected Weights 223 5.2.1.3 Container Level Sensors 223 5.2.1.4 RFID Bin Tags and Scanners 223 5.2.1.5 Smart Locks 224 5.2.1.6 GPS Trackers 224 5.2.1.7 Material Scanners 224 5.2.1.8 Industrial Robots 225 5.2.1.9 Screening Machines 225 5.2.2 Integrated Hardware Systems 226 5.2.2.1 Reverse Vending Machines 227 5.2.2.2 Underground Container Systems 227 5.2.2.3 Automated Vacuum Collection (AVAC) 227 5.2.2.4 Automated Waste Sorting Plants 228 5.3 Software in Waste Management 229 5.3.1 The Changing Landscape of Software Development 229 5.3.1.1 From Servers to Cloud 229 5.3.1.2 From Files to APIs 229 5.3.1.3 From Monoliths to Modules 230 5.3.1.4 From Centralized to Distributed Architecture 230 5.3.1.5 From Reactive to Predictive Software 230 5.3.2 Current Software in Waste Management 231 5.3.2.1 ERP Systems 231 5.3.2.2 Customer Management Systems 231 5.3.2.3 Project Management Software (PMS) 231 5.3.2.4 Data Lakes and Data Warehouses 232 5.3.2.5 Fleet Management Systems 232 5.3.2.6 Route Planning Software 232 5.3.2.7 Field Reporting Software 232 5.3.2.8 Customer Apps 233 5.3.2.9 Marketplace Software 233 5.3.3 Dealing with Complexity and Creating Higher-Level Systems 233 5.3.3.1 Connectivity/ Integration Platforms 234 5.3.3.2 Cloud Communications Platforms 234 5.3.3.3 Smart Contract Frameworks 236 5.3.3.4 Code Repositories 237 5.4 Selected Case Studies 237 5.4.1 Developing a Platform to Simplify Access Management Across Different Technical Solutions 237 5.4.2 Using Bin Sensors to Decrease Overflowing Trash Cans with 80% 239 5.4.3 Creating Symbiosis-Like Industrial Parks to Curb Emissions and Increase Resource Productivity 240 5.4.4 Enabling a Fully Automated Waste Processing Facility 241 5.5 The Value of Openness 243 References 246 Chapter 6: Towards the Digitalization of the Waste Industry 251 6.1 From Waste Management to Resource Innovation 252 6.1.1 A Fundamental Shift 253 6.1.2 Risks and Challenges 255 6.1.3 From Specific to Holistic Problem Solving 256 6.2 Leadership and Management 257 6.2.1 Long-Term Vision or Short-Term Pragmatism? 260 6.2.2 Leadership Styles and Strategies 262 6.2.3 Choosing the Right Innovation Methodology 263 6.2.3.1 Design Thinking 264 6.2.3.2 Lean Start-Up 265 6.2.3.3 Agile 265 6.2.4 Building Industrial Ecosystems 267 6.2.5 Dealing with Complexity 268 6.2.6 Political Leadership 269 6.3 Exploration Versus Exploitation 272 6.3.1 Playing with Both Hands 272 6.3.2 The Three Types of Innovation 273 6.3.3 Resource Optimization: The Forgotten Perspective 274 6.4 From Digitalization to New Business Models 275 6.4.1 Sustainability as a Driver of Value 276 6.4.2 The Elements of a Business Model 279 6.4.3 Business Model Experiments: The RESTART Approach 281 6.5 Democratizing Technology 284 6.5.1 The Benefits of Openness 284 6.5.2 Creating and Promoting Shared Standards 286 6.5.3 Global Collaboration for the Common Good? 287 References 290 Chapter 7: The Rise of a New Science 295 7.1 The Rise of Urban Informatics 296 7.1.1 New Answers to Old Questions, but Not for Free 298 7.1.2 Citizens’ Engagement 300 7.1.3 More Challenges 301 7.2 Islands of Information in Oceans of Big Data 303 7.2.1 Understanding Cities 303 7.2.2 Understanding Supply Chains 305 7.2.3 Understanding Waste Management 305 7.2.4 Mobile Phones Are the Key to Create New Big Data Sets 307 7.2.5 Predicting Pandemics 311 7.3 The Dark Side of the Moon 311 7.3.1 Surveillance Capitalism? 313 7.4 From Cities as Machines to Cities as Organisms 315 7.4.1 Urban Theories and the Role of Scaling 316 7.4.2 From Urban Scaling to Urban Sustainability 318 7.4.3 Big Data Meets the New Urban Science 320 7.5 Circular Economy: Digitized or Dead 323 References 327 Chapter 8: Stairway to Heaven or Highway to Hell? 333 8.1 Circular Economy or Space Race? 336 8.2 Circular Economy and IND4.0 as Essentially Contested Concepts 339 8.3 Squeezing IND4.0 – Undermining Circular Economy 341 8.4 Governance is the Key – Cities are the Lock 346 8.5 Beyond Business as Usual Optimization 352 8.6 Environmental Incrementalism? No, Thanks 354 8.7 IND4.0 Meets the Horse Manure Crisis 358 8.8 No Sanitation = No Sustainability 361 8.9 Ask Sisyphus the Trillion-Dollar Question 363 References 367 Epilogue: The Future Starts with You 373 Epilogue: Towards Irreversible Wastelands 375 Index 379

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Book SynopsisA comprehensive textbook on petrochemical conversion processes for petroleum and natural gas fractions as produced by refinery operations This innovative textbook provides essential links between the chemical sciences and chemical technology, between petrochemistry and hydrocarbon technology. The book brings alive key concepts forming the basis of chemical technology and presents a solid background for innovative process development. In all chapters, the processes described are accompanied by simplified flow schemes, encouraging students to think in terms of conceptual process designs. Petrochemistry: Petrochemical Processing, Hydrocarbon Technology and Green Engineering introduces students to a variety of topics related to the petrochemical industry, hydrocarbon processing, fossil fuel resources, as well as fuels and chemicals conversion. The first chapter covers the fundamentals and principals for designing several of the processes in the book, includinTable of ContentsAbout the Book xv Preface xvii Acknowledgments xix General Literature xxi Nomenclature xxv Abbreviations and Acronyms xxvii 1 Chemical Technology 1 1.1 Introduction 2 1.2 Chemical Engineering 5 1.2.1 Conservation of Mass 7 1.2.2 Conservation of Energy 7 1.2.3 Conservation of Momentum 8 1.2.4 Thermodynamics of Chemical Reactions 8 1.2.5 Chemical Kinetics 11 1.2.5.1 Reaction Rate: Activation Energy 11 1.2.6 Reactors 12 1.2.6.1 Conversion, Selectivity, and Yields 12 1.2.6.2 Continuous Tubular Reactor 13 1.2.6.3 The Reaction Order 15 1.2.6.4 Rate Constant 15 1.2.7 Industrial Catalysts 16 1.2.7.1 The Place of Catalytic Processes in Hydrocarbon Technology 16 1.2.7.2 Homogeneous Catalysts 16 1.2.7.3 Heterogeneous Catalysts 18 1.2.7.4 Classifying Catalysts 19 1.2.8 Conversion of Hydrocarbons: Active Intermediate Forms 21 1.2.8.1 Carbocations 21 1.2.8.2 Radicals 23 1.2.8.3 Initiated Decomposition 26 1.3 Potential Steps Toward Greener Chemical Technology 28 1.3.1 Maturity 29 1.3.2 Participation in International Trade 29 1.3.3 Competition from Developing Countries 30 1.3.4 Capital Intensity and Economies of Scale 31 1.3.5 Criticality and Pervasiveness 32 1.3.6 Freedom of Market Entry 33 1.3.7 Stringent Requirements of the Clean Air Act (CAA) 34 1.3.8 High R&D for Ecologically Oriented Projects 34 1.3.9 Dislocations and Environmental Impacts 38 1.3.10 Feedstock Recycling 40 1.4 The Top Chemical Companies 41 1.5 The Top Chemicals 43 Further Reading 45 2 Current Trends in Green Hydrocarbon Technology 47 2.1 Introduction 47 2.2 Eco-Friendly Catalysts 48 2.3 Hydrogen 50 2.4 Alternative Feedstocks 51 2.5 Alternative Technologies 53 2.6 Feedstock Recycling 54 2.7 Functionalization of Hydrocarbons 55 2.7.1 Partial Oxidation of Methane 55 2.8 Biorefining 56 Further Reading 56 3 Clean Energy Technology 59 3.1 Rational Use of Energy 59 3.2 The Problem of Energy in Chemical Technology 62 3.2.1 The Basics of Energy Management to Improve Economic Budgeting 63 3.2.2 Types of Energy and Energy Sources for Chemical Technology 63 3.3 Waste Fuel Utilization 65 3.3.1 Electricity 65 3.3.2 Energy Efficiency Improvements 65 3.3.3 Energy and the Environment 66 3.3.3.1 Carbon and Greenhouse Emissions 66 3.3.3.2 Formation of Particulate Matter 67 3.3.3.3 CO2 Emissions 68 3.4 Energy Technology 70 3.4.1 Thermodynamics 70 3.4.2 Power Recovery in Other Systems 71 3.4.3 Heat Recovery, Energy Balances, and Heat-Exchange Networks 71 3.4.4 Waste-Heat Boilers 72 3.4.5 Product-to-Feed Heat Interchange 73 3.4.6 Combustion Air Preheat 73 3.4.7 Heat Pumps 74 3.5 Energy Accounting 75 Further Reading 77 4 Sources of Hydrocarbons 79 4.1 Introduction 80 4.2 Natural Gas 81 4.2.1 Definitions and Terminology 82 4.2.2 Origin 83 4.2.3 Occurrence 84 4.2.4 Reserves 84 4.2.5 Recovery 84 4.2.6 Storage 85 4.3 Petroleum or Crude Oil 85 4.4 Coal and Its Liquefaction 88 4.5 Shale Gas and Tight Oil: Unconventional Fossil Fuels 89 4.5.1 Introduction 90 4.5.2 Glossary and Terminology 91 4.5.3 Energy in 2018 93 4.5.4 Energy Outlook 2035 94 4.6 Shale Gas 96 4.6.1 Geology 98 4.6.2 Formation of Natural Gas Reservoirs 99 4.6.2.1 General 99 4.6.2.2 Unconventional Reservoir 99 4.6.2.3 Low-Permeability Gas Reservoirs 101 4.6.2.4 Fractured Shales 102 4.7 Tight Oil 102 4.7.1 Types of Tight Oil Plays 103 4.7.1.1 Geo-Stratigraphic Play 104 4.7.1.2 Shale Oil Play 104 4.7.2 Technologies Used to Recover Tight Oil 104 4.7.2.1 Horizontal Drilling 105 4.7.2.2 Hydraulic Fracturing 105 4.7.2.3 Microseismic Events 106 4.7.3 Initial Production 106 4.7.3.1 Infill Drilling 106 4.7.3.2 Wellbore Construction and Groundwater Protection 107 4.7.3.3 Minimizing Footprint 107 4.7.4 Environmental Impacts of Natural Gas 107 4.7.4.1 Water and Air Quality, Methane, and Other Important Greenhouse Gases 108 4.7.4.2 Earthquakes 108 4.7.5 Conclusion 108 4.8 Heavy Oils, Shale, and Tar Sand 109 Further Reading 110 5 Links with Natural Gas, Crude Oil, and Petroleum Refineries 113 5.1 Links with Natural Gas 113 5.1.1 Introduction 113 5.1.2 Processing 114 5.1.3 Water Removal 114 5.1.4 Acid Gas Removal: Environmentally Friendly Solvents 115 5.1.5 Fractionation 115 5.1.6 Turboexpander Process 116 5.1.7 Solvent Recovery 116 5.1.8 Chemicals From Natural Gas 117 5.2 LPG as an Ethylene Feedstock 117 5.3 Heavy Condensates 117 5.4 Links with Crude Oil 118 5.4.1 Naphtha 119 5.4.2 Middle Distillates 122 5.4.3 Heavy Condensates Recovery 123 5.5 Links with Petroleum Refineries 124 5.5.1 Fluid Catalytic Cracking 124 5.5.2 Catalytic Reforming 128 5.5.2.1 Maximum Aromatic Production 131 5.5.2.2 Aromatics Complex 131 6 Hydrocarbon Technology, Trends, and Outlook in Petrochemistry 133 6.1 Definition 133 6.2 Petrochemistry and Its Products 140 Further Reading 142 7 Pillar A of Petrochemistry 143 Production of Lower Alkenes 7.1 Steam Cracking (Pyrolysis) 143 7.1.1 Reaction in Steam Cracking 145 7.1.2 Thermodynamics 145 7.1.3 Mechanism 145 7.1.4 Kinetics 145 7.2 Industrial Process 145 7.2.1 Composition of Feedstock 146 7.2.2 Pyrolysis Temperature and Residence Time 146 7.2.3 Partial Pressure of Hydrocarbon and Steam-to-Naphtha Ratio 147 7.2.4 Severity and Selectivity 147 7.2.5 Furnace Run Length 148 7.3 Ethylene Furnace Design 148 7.3.1 Heat Exchanger 149 7.4 Coke Formation During Pyrolysis and Decoking Measures 150 7.4.1 Catalytic Gasification of Coke During Production 150 7.4.2 Sulfur Addition to Ethane Feedstocks 153 7.5 Product Processing 153 7.5.1 Hot Section 155 7.5.2 Quench Section 155 7.6 Typical Naphtha Cracker Plant 155 7.6.1 Hot Section 155 7.6.2 Cold Section 156 7.7 Gas-Feed Cracker Process Design 156 7.8 Trends in Technological Development of Steam Crackers for Production of Ethylene 159 7.8.1 Direct Involvement in Petrochemical Production 161 7.8.2 Integrating SC Operations 162 Further Reading 164 8 Pillar A of Petrochemistry 165 Other Sources of Lower Alkenes 8.1 Catalytic Dehydrogenation of Light Alkanes 165 8.2 Methanol to Alkenes 169 8.2.1 MTO Catalyst 169 8.3 Metathesis 171 8.3.1 Process Chemistry 171 8.4 Oxidative Coupling of Methane 172 8.5 Current and Future Developments 174 Further Reading 175 9 Pillar A of Petrochemistry 177 Petrochemicals from C2 – C3 Alkenes 9.1 Introduction 177 9.2 Chemicals from Ethylene 178 9.3 Chemicals from Propylene 178 9.4 Polymerization 179 10 Pillar B of Petrochemistry 181 Production of BTX Aromatics 10.1 Introduction 181 10.2 Alkylation 183 10.2.1 Ethylbenzene 183 10.2.1.1 Process Chemistry 183 10.2.1.2 New Eco-Friendly Catalyst 184 10.2.1.3 Environmental Protection of the Described Process 185 10.2.1.4 CDTECH EB Process 185 10.2.1.5 EBMAX Process 187 10.2.2 Cumene 188 10.2.2.1 Process Chemistry 188 10.2.2.2 Environmental Protection of the Process Description 189 Further Reading 190 11 Pillar B of Petrochemistry 191 Chemicals from BTX Aromatics 11.1 Chemicals from Aromatic Hydrocarbons 191 11.2 Styrene 192 11.2.1 Process Chemistry 193 11.2.2 Process Descriptions 193 11.3 Hydrogenation 194 11.3.1 Partial Hydrogenation of Benzene to Cyclohexene 195 11.4 Hydrodealkylation of Toluene 196 11.5 Isomerization 197 11.6 Disproportionation of Toluene 198 11.7 Oxidation Processes 199 11.7.1 Cumene → Phenol + Acetone 199 11.7.2 Process Chemistry 200 11.7.2.1 Cumene Oxidation to Cumene Hydroperoxide 200 11.7.2.2 Cumene Hydroperoxide Cleavage to Phenol and Acetone 200 11.7.2.3 Distillation Section 200 11.7.3 Process Description 201 11.7.4 Benzene → Maleic Anhydride 202 11.7.5 Cyclohexane → Cyclohexanol + Cyclohexanone → Adipic Acid 202 11.7.6 P-Xylene → Terephthalic Acid / Dimethyl Terephthalate 203 11.8 Condensation Processes 204 11.8.1 Aniline 204 11.8.2 4,4′-Diphenylmethane Diisocyanate 204 11.8.3 Toluene → Dinitrotoluene and Toluene Diisocyanate 205 11.8.4 Bisphenol A 206 11.8.4.1 Bisphenol Reaction 208 11.8.4.2 Process Description 208 12 Pillar C of Petrochemistry 209 C1 Technologies 12.1 Introduction 210 12.2 Synthesis Gas 211 12.2.1 Steam Reforming of Methane – Stringent Greenhouse Gas 212 12.2.1.1 Reactions and Thermodynamics 213 12.2.2 Steam Reforming Process 214 12.2.3 Hydrogen 215 12.2.4 MegaMethanol Technology 215 12.2.4.1 Process Description 216 12.2.5 Autothermal Reforming 218 12.2.6 Combined Reforming 219 12.2.7 Methanol Synthesis 220 12.2.7.1 Methanol Synthesis Loop 222 12.2.7.2 Methanol Distillation 222 12.2.8 MTBE 223 12.2.8.1 Environmentally Friendly Process of Catalytic Distillation 224 12.2.9 Etherification of Glycerol by Isobutylene 225 12.2.10 Fisher–Tropsch Synthesis 228 12.2.11 Acetic Acid 229 12.2.11.1 Background Information 229 12.2.11.2 Principal Reaction 230 12.2.11.3 Catalyst Preparation Reactions 230 12.2.11.4 Process Description 231 12.2.12 Hydroformylation 231 12.2.12.1 Thermodynamics 232 12.2.12.2 Catalyst Development 233 12.2.12.3 Catalytic Cycle 233 12.2.12.4 Kinetics 234 12.2.12.5 Process Flowsheet 234 12.2.12.6 Comparison of the Hydroformylation Process 235 Further Reading 236 13 Hydrogen Technologies 237 13.1 Introduction 237 13.2 Hydrogen as an Alternative Fuel 239 13.2.1 Production of Hydrogen 240 13.2.1.1 Dry Reforming, Methane, and CO2 Chemical Transformation 241 13.3 Vehicle On-Board Fuel Reforming 243 13.3.1 Steam Reforming of Naphtha (Gasoline) 245 13.3.2 On-Board Diesel Fuel Processing 246 13.3.3 Direct and Gradual Internal Reforming of Methane 248 13.3.4 Methanol-to-Hydrogen Production 249 13.3.5 Steam Reforming of Ethanol 252 13.4 Vehicular Hydrogen Storage Approaches 254 13.4.1 Reversible On-Board Approaches 255 13.4.1.1 Compressed Hydrogen Gas 255 13.4.1.2 Liquid Hydrogen Tanks 256 13.4.1.3 Metal Hydrides 256 13.4.1.4 High-Surface-Area Sorbents and Carbon-Based Materials 256 13.4.2 Chemical Hydrogen Storage: Regenerable Off-Board 257 13.4.2.1 Hydrolysis Reactions 257 13.4.2.2 Hydrogenation/Dehydrogenation Reactions 257 13.4.2.3 Ammonia Borane and Other Boron Hydrides 258 13.4.2.4 Ammonia 258 13.4.2.5 Alane 258 13.5 Gas Conversion Technologies/Natural Gas Upgrading 258 13.5.1 GTL Conversion of Syngas to Fuel 259 Further Reading 259 14 Biorefineries 263 14.1 Introduction 263 14.2 Petrochemistry 264 14.3 Carbonization of Coal 264 14.4 Manufacturing of Activated Carbon 265 14.5 Chemicals and Fuels from Biomass 266 14.5.1 Degasification 266 14.5.2 Oxygenation 268 14.5.3 Levoglucosan 270 Further Reading 272 15 Recycling Technologies 273 15.1 Feedstock Recycling of Plastic Wastes 273 15.2 Fuels and Chemicals from Polymer Waste 275 15.3 Fuels and Chemicals from Used Tires 277 Further Reading 281 16 Microchannel Technologies and Nanotechnology 283 16.1 Introduction 283 16.2 Fluid Flow in Microchannels 285 16.3 Intensified Superheated Processing 286 16.3.1 Oxidative Dehydrogenation of Hydrocarbons 287 16.3.2 Steam Reforming of Ethanol 287 16.3.3 Fischer-Tropsch Synthesis and GTL 288 16.4 Steam Cracking of Hydrocarbons 289 16.5 Nanotechnology 292 16.5.1 Definition 292 16.5.2 Fundamental Concepts 294 16.5.3 Nanomaterials 295 16.5.4 Applications 295 Further Reading 296 Index 297

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Book SynopsisComputational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems. Table of ContentsStudy of pKa Values of Alkylamines Based on Density Functional Theory. A DFT Investigation of the Influence of Α, Β Unsaturation in Chemical Reactivity of Coumarin and Some Hydroxy Coumarins. Molecular Determinants of TRPC6 Channel Recognition by FKBP12. In Silico Design of PDHK Inhibitors: From Small Molecules to Large Fluorinated Compounds. The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology. Application of Computational Methods to the Rational Design of Photoactive Materials for Solar Cells. Theoretical Studies on Adsorption of Organic Molecules on Metal Surface. A Comparative Theoretical Investigation on the Activation of C-H Bond in Methane on Mono and Bimetallic Pd and Pt Subnanoclusters. Theoretical Analysis: Electronic and Optical Properties of Small Cu-Ag Nano Alloy Clusters. Multisolitons in SRR Based Metamaterials in Klein-Gordon Lattice. Ab-Initio Techniques for Light Matter Interaction at the Nanoscale. Synthesis and Characterization of Multi-Component Nanocrystalline High Entropy Alloy.

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Book SynopsisLearning chemistry is more than just memorizing facts and formulas. To be successful, you need to understand fundamental chemistry concepts and how to apply them to solve problems. CHEMISTRY, Eleventh Edition, will help you gain the tools you need to succeed in your chemistry course--and beyond. This trusted text has helped generations of students learn to think like chemists, developing critical-thinking and creative problem-solving skills to master even the most challenging problems. An engaging writing style, clear explanations and interactive examples help you build both skill and confidence, so you can study to understand rather than simply memorize. In addition, useful online resources and instant feedback in OWLv2 help bring the material to life and make learning even more effective.Table of Contents1. Chemical Foundations. 2. Atoms, Molecules and Ions. 3. Stoichiometry. 4. Types of Chemical Reactions and Solution Stoichiometry. 5. Gases. 6. Thermochemistry. 7. Atomic Structure and Periodicity. 8. Bonding: General Concepts. 9. Covalent Bonding: Orbitals. 10. Liquids and Solids. 11. Properties of Solutions. 12. Chemical Kinetics. 13. Chemical Equilibrium. 14. Acids and Bases. 15. Acid-Base Equilibria. 16. Solubility and Complex Ion Equilibria. 17. Spontaneity, Entropy and Free Energy. 18. Electrochemistry. 19. The Nucleus: A Chemist's View. 20. The Representative Elements. 21. Transition Metals and Coordination Chemistry. 22. Organic and Biological Molecules. Appendix 1: Mathematical Procedures. A1.1. Exponential Notation. A1.2. Logarithms. A1.3. Graphing Functions. A1.4. Solving Quadratic Equations. A1.5. Uncertainties in Measurements. Appendix 2: The Quantitative Kinetic Molecular Model. Appendix 3: Spectral Analysis. Appendix 4: Selected Thermodynamic Data. Appendix 5: Equilibrium Constants and Reduction Potentials. A5.1. Values of Ka for Some Common Monoprotic Acids. A5.2. Stepwise Dissociation Constants for Several Common Polyprotic Acids. A5.3. Values of Kb for Some Common Weak Bases. A5.4. Ksp Values at 25_C for Common Ionic Solids. A5.5. Standard Reduction Potentials at 25_C (298K) for Many Common Half-Reactions. Appendix 6: SI Units and Conversion Factors. Glossary. Answers to Selected Exercises.

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Book Synopsis

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Book Synopsis

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Book SynopsisTable of Contents1. An introduction to environmental soil chemistry 2. Soil Minerals 3. Chemistry of Soil Organic Matter 4. Soil Solution-Solid Phase Equilibria 5. Sorption Phenomena on Soils 6. Ion Exchange Processes 7. Kinetics of Soil Chemical Processes 8. Redox Chemistry of Soils 9. The Chemistry of Soil Acidity 10. The Chemistry of Saline and Sodic Soils

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Book SynopsisThe exceptional quality of previous editions has been built upon to make the twelfth edition of Atkins'' Physical Chemistry even more closely suited to the needs of both lecturers and students. The writing style has been adapted in collaboration with current students of physical chemistry in order to retain clarity but match the way you read.The new edition is now available as an enhanced e-book, which offers a richer, more dynamic experience than either a print textbook or a flat e-book. It does this by incorporating digital enhancements that are carefully curated and thoughtfully inserted at meaningful points to enhance the learning experience. In addition, it offers formative auto-graded assessment materials to provide students with regular opportunities to test their understanding.Digital enhancements introduced for the new edition include dynamic graphs, which you can interact with to explore how the manipulation of variables affects the results of the graphs, self-check questionsTrade ReviewAn excellent textbook: very easy to read and fosters great understanding. Physical chemistry can be a very mathematical and complex area, but this textbook makes it easy to understand and is something I see myself using to help me carry out both lab work and physical chemistry questions. * Sophie Shearlaw, student, University of Strathclyde *This book continuously improves and makes the learning process enjoyable. There are countless examples and exercises which can provide enormous support to both learners and lecturers. * Milan Antonijevic, lecturer, University of Greenwich *The explanation of the concepts is great. The examples are really helpful: the authors really address almost every way in which the equations could be used. Truly a helpful textbook. * Eva Pogacar, student, Heriot-Watt University *Covers all the topics that you would want in an undergraduate course on physical chemistry. It includes succinct overviews of mathematical concepts that students need to understand, and is extremely well-organised, breaking material into manageable sections. * Kristin Dawn Krantzman, lecturer, College of Charleston *This textbook has always been, and continues to be, an excellent physical chemistry textbook. I highly recommend. * Mikko Linnolahti, lecturer, University of Eastern Finland *Extremely useful Physical Chemistry textbook. Contains helpful overviews of useful equations and concepts. Schematics break down concepts and are good to support learning. Detailed content throughout. * Gabrielle Rennie, student, University of Strathclyde *

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Book SynopsisAn Introduction to Testing for Drugs of Abuse An Introduction to Testing for Drugs of Abuse presents a distilled set of facts about the major drugs of abuse that are encountered in clinical practice. Individual chapters highlight the similarities in chemical structure, mechanism of action, and physiologic effects of each drug group, as well as their metabolism, therapeutic uses and potential for misuse or abuse. Special attention is given to the testing process, with an emphasis on interpretation of test results. Informative and entertaining cases appear at the end of each chapter. These cases illustrate the many situations in which drug testing is performed for medical, legal and employment purposes. Written in clear, concise language, this book provides practical guidance to pathologists, clinical chemists and technologists who are responsible for reporting and interpreting the results of drug analyses. It will be especially useful to residents and students who are learning about toxicology for the first time. Clinical practitioners doctors, nurses, pharmacists and other health care professionals will find the information they need to order and interpret drug tests accurately. For more information watch the trailer here:https://players.brightcove.net/4931690914001/B1xdbomRDl_default/index.html?videoId=6310075842112Table of ContentsPreface vii Section I Substance Use, Drug Metabolism, and the Testing Process 1 1 Introduction 3 2 How the Body Handles Drugs 13 3 Specimen Collection 19 4 Screening Tests: Immunoassays 27 5 Confirmation Tests: Chromatography and Mass Spectrometry 37 Section II Individual Drugs 47 6 Cocaine 49 7 Amphetamines 59 8 Benzodiazepines and Z-drugs 77 9 Other Sedative-Hypnotic Drugs 93 10 Opioids 105 11 Cannabinoids 125 12 Hallucinogens 137 13 Alcohols 151 Section III Appendices 177 Appendix A How to Read a Toxicology Report 179 Appendix B Guideline Documents: Pain Management and Addiction Medicine 183 Index 185

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Book SynopsisHow computer animation technologies became vital visualization tools in the life sciences Who would have thought that computer animation technologies developed in the second half of the twentieth century would become essential visualization tools in today’s biosciences? This book is the first to examine this phenomenon. Molecular Capture reveals how popular media consumption and biological knowledge production have converged in molecular animations—computer simulations of molecular and cellular processes that immerse viewers in the temporal unfolding of molecular worlds—to produce new regimes of seeing and knowing.Situating the development of this technology within an evolving field of historical, epistemological, and political negotiations, Adam Nocek argues that molecular animations not only represent a key transformation in the visual knowledge practices of life scientists but also bring into sharp focus fundamental mutations in power within neoliberal capitalism. In particular, he reveals how the convergence of the visual economies of science and entertainment in molecular animations extends neoliberal modes of governance to the perceptual practices of scientific subjects. Drawing on Alfred North Whitehead’s speculative metaphysics and Michel Foucault’s genealogy of governmentality, Nocek builds a media philosophy well equipped to examine the unique coordination of media cultures in this undertheorized form of scientific media. More specifically, he demonstrates how governmentality operates across visual practices in the biosciences and the popular mediasphere to shape a molecular animation apparatus that unites scientific knowledge and entertainment culture.Ultimately, Molecular Capture proposes that molecular animation is an achievement of governmental design. It weaves together speculative media philosophy, science and technology studies, and design theory to investigate how scientific knowledge practices are designed through media apparatuses.Trade Review"Thoughtful and deeply researched, Molecular Capture brings together history of science, media theory, and philosophy of representation, power, and governmentality to present a provocative argument about the relation of entertainment and science as crystallized in the form of molecular animation."—Kirsten Ostherr, director of the Medical Futures Lab and the Medical Humanities Program, Rice University"Putting aside traditional film history models, Molecular Capture theorizes the time-based molecular model’s emergence across the science-entertainment divide. Part history of animation and part speculative visual theory of science imaging, Molecular Capture shows us the extent to which our fascination with the molecular, and molecules themselves, move fluidly across the science-entertainment divide."—Lisa Cartwright, University of California, San DiegoTable of ContentsContentsIntroduction: On Speculative Media PhilosophyPart I1. Molecular Entertainment2. Visuality and Experimental Knowledge Practices3. A Feeling for Theoretical BiologyPart II4. Eco-social Media5. Governing the SocialPart III6. The Animation Apparatus7. Epistemic CapturePostscript: A Prolegomenon to Governmental DesignAcknowledgmentsNotesVideography BibliographyIndex

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Book SynopsisThis comprehensive workbook helps readers become familiar with the structures and synthetic challenges associated with nearly 300 essential medicines and gain the skills needed for pharmaceutical development. Highlights nearly three hundred medicines on the latest World Health Organization (WHO) Model List of Essential Medicines and their manufacturing routesFeatures exercises that equip students with the skills necessary to solve similar real-world problemsIncludes a retrosynthetic analysis for each commodity chemical and supplies an extensive list of key journal and information sites and a library of reagents, solvents, and conditions for many common organic reactionsTable of ContentsIntroduction xiv About the Companion Website xvii A 1 Abacavir 1 Acetazolamide 3 Acetylcysteine 4 Acetylsalicylic Acid 4 Acyclovir 5 Albendazole 6 Allopurinol 7 Amidotriazoate 8 Amikacin 9 Amiloride 11 4-Aminosalicylic Acid 12 Amiodarone 13 Amitriptyline 15 Amlodipine 16 Amodiaquine 17 Amoxicillin 18 Ampicillin 20 Anastrozole 21 Artemether 23 Artesunate 24 Ascorbic Acid 26 Atazanavir 27 Atracurium Besylate 29 Atropine 32 Azathioprine 34 Azithromycin 35 Aztreonam 37 B 40 Beclomethasone Dipropionate 40 Bedaquiline 45 Bendamustine 47 Benznidazole 49 Benzoyl Peroxide 50 Benzyl Benzoate 51 Betamethasone 52 Bicalutamide 56 Biperiden 57 Bisoprolol 58 Budesonide 59 Bupivacaine 62 C 63 Caffeine 63 Calcium Folinate/Folinic Acid 64 Capecitabine 65 Carbamazepine 67 Cefalexin 68 Cefazolin 69 Cefepime 71 Cefixime 73 Cefotaxime 75 Ceftaroline 77 Ceftazidime 81 Ceftriaxone 84 Chlorambucil 86 Chloramphenicol 87 Chlorhexidine 89 Chloroquine 90 Chloroxylenol 91 Chlorpromazine 92 Ciprofloxacin 93 Cisplatin, Carboplatin, Oxaliplatin 94 Clarithromycin 97 Clindamycin 99 Clofazimine 100 Clomifene 101 Clomipramine 102 Clopidogrel 103 Cloxacillin 105 Clotrimazole 106 Clozapine 107 Codeine 108 Colecalciferol 109 Cyclizine 112 Cyclophosphamide 113 Cycloserine 114 Cytarabine 114 D 116 Dacarbazine 116 Daclatasvir 117 Dapsone 119 Darunavir 120 Dasabuvir 122 Dasatinib 124 Delamanid 126 Desmopressin 129 Dexamethasone 131 Diazepam 136 Diethylcarbamazine 137 Dihydroartemisinin 139 Diloxanide Furoate 140 Dimercaprol 141 Docetaxel 141 Docusate Sodium 145 Dolutegravir 145 Dopamine 147 Doxycycline 148 E 150 Efavirenz 150 Eflornithine 152 Emtricitabine 153 Enalapril 155 Entecavir 158 Ephedrine 160 Epinephrine 160 Ergocalciferol 162 Ergometrine 163 Estradiol Cypionate 164 Ethambutol 166 Ethinylestradiol 166 Ethionamide 167 Ethosuximide 169 Etonogestrel 169 Etoposide 173 F 175 Fentanyl 175 Fluconazole 176 Flucytosine 177 Fludarabine Phosphate 177 Fludrocortisone Acetate 179 Fluorouracil 180 Fluoxetine 181 Fluphenazine 182 Folic Acid 184 Fomepizole 185 Formoterol 186 Fosfomycin 189 Furosemide 191 G 192 Gemcitabine 192 Gliclazide 194 Glutaral 195 Glyceryl Trinitrate 196 H 197 Haloperidol 197 Halothane 199 Hydralazine 199 Hydrochlorothiazide 200 Hydrocortisone 200 Hydroxycarbamide 203 Hydroxychloroquine 204 Hyoscine Butylbromide 205 I 207 Ibuprofen 207 Ifosfamide 208 Imatinib 209 Iohexol 210 Ipratropium Bromide 212 Irinotecan 214 Isoflurane 217 Isoniazid 218 Isosorbide Dinitrate 219 Itraconazole 219 Ivermectin 223 K 226 Ketamine 226 L 227 Lactulose 227 Lamivudine 228 Lamotrigine 229 Latanoprost 230 Ledipasvir 235 Leuprorelin 239 Levamisole 241 Levofloxacin 242 Levonorgestrel 244 Levothyroxine 247 Lidocaine 248 Linezolid 249 Loperamide 251 Lopinavir 252 Loratidine 255 Lorazepam 257 Losartan Potassium 259 Lumefantrine 261 M 263 Mannitol 263 Mebendazole 264 Medroxyprogesterone Acetate 265 Mefloquine 269 Meglumine Iotroxate 270 Melarsoprol 271 Mercaptopurine 272 Meropenem 274 Mesna 278 Metformin 279 Methadone 279 Methotrexate 280 Methyldopa 282 Methylprednisolone 283 Methylthioninium Chloride 288 Metoclopramide 289 Metronidazole 290 Miconazole 291 Midazolam 292 Mifepristone 295 Miltefosine 298 Misoprostol 299 Moxifloxacin 302 N 305 Naloxone 305 Neostigmine Methylsulfate 306 Nevirapine 307 Niclosamide 309 Nicotinamide 309 Nifedipine 310 Nifurtimox 310 Nilotinib 311 Nitrofurantoin 313 Norethisterone and Norethisterone Enanate 314 O 317 Ofloxacin 317 Ombitasvir 319 Omeprazole 320 Ondansetron 322 Oseltamivir 323 Oxamniquine 325 Oxytocin 327 P 330 Paclitaxel 330 Paracetamol 333 Paritaprevir 334 Penicillamine 339 Pentamidine 340 Permethrin 341 Phenobarbital 342 Phenytoin 343 Piperacillin 344 Piperaquine 346 Praziquantel 347 Prednisolone 349 Primaquine 350 Procarbazine 352 Progesterone 353 Proguanil 356 Propofol 356 Propranolol 357 Propylthiouracil 358 Prostaglandin E1 359 Prostaglandin E2 362 Pyrantel 366 Pyrazinamide 367 Pyridoxine 367 Pyridostigmine Bromide 369 Pyrimethamine 369 Pyronaridine 370 R 373 Raltegravir 373 Ranitidine 376 Retinoic Acid (All-trans) 377 Retinol (Vitamin A1) 378 Ribavirin 380 Rifabutin 382 Rifampicin 384 Rifapentine 386 Risperidone 389 Ritonavir 390 S 395 Salbutamol 395 Simeprevir 397 Simvastatin 402 Sodium Calcium Edetate 404 Sofosbuvir 405 Spironolactone 408 Succimer 410 Sulfadiazine and Silver Sulfadiazine 411 Sulfadoxine 412 Sulfamethoxazole 413 Sulfasalazine 415 Suramin 416 Suxamethonium Chloride 418 T 419 Tamoxifen 419 Tazobactam 421 Tenofovir Disoproxil 423 Terbinafine 424 Testosterone 425 Tetracaine 427 Tetracycline 428 Thiamine 428 Tigecycline 430 Timolol 434 Tranexamic Acid 435 Triclabendazole 436 Trimethoprim 437 Tropicamide 438 U 440 Ulipristal Acetate 440 V 445 Valganciclovir 445 Valproic Acid 447 Vecuronium Bromide 448 Velpatasvir 452 Verapamil 459 Vincristine 460 Vinorelbine 461 Voriconazole 463 W 466 Warfarin 466 X 467 Xylometazoline 467 Z 469 Zidovudine 469 Zoledronic Acid 471 A Demonstration: Amiodarone 472 Index 478

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Book SynopsisA fully revised new edition of an introductory text to the dynamic and fascinating subject of astrochemistry Since the first edition in 2006 of Astrochemistry, the Mars rovers have driven 31.18 miles, there has been fly-by of Pluto changing it from a 4-pixel world on the Hubble Space Telescope into a mysterious non-planet. There have been visits to asteroids, revisiting Mercury, discovery of the Higgs Boson, discovery of over 2000 extrasolar planets and landing on the comet 67P/ChuryumovGerasimenko by Rosetta mission hence the timely publication of this new edition. This core textbook now includes more detailed information on the kinetic modelling of chemistry in the interstellar medium, extending the same principles of physical chemistry to meteor ablation and finally atmospheres and oceans. The increase in density from near-emptiness to 1.35x 1021 L of water in the world''s oceans is used to take single collision kinetics into ensemble thermodynamics. Table of ContentsPreface to the First Edition ix Preface to the Second Edition xiii About the Companion Website xvii 1 The Molecular Universe 1 1.1 The Standard Model – Big Bang Theory 2 1.2 Galaxies, Stars, and Planets 5 1.3 Origins of Life 6 1.4 Other Intelligent Life 11 1.5 Theories of the Origin of Life 13 1.6 The Search for Extraterrestrial Intelligence (SETI) 15 Problems 16 References 16 2 Starlight, Galaxies, and Clusters 19 2.1 Simple Stellar Models – Black-Body Radiation 19 2.2 Cosmic Microwave Background Radiation: 2.725 K 25 2.3 Stellar Classification 27 2.4 Constellations 35 2.5 Galaxies 40 2.6 Cosmology 46 Problems 48 References 51 3 Atomic and Molecular Astronomy 53 3.1 Spectroscopy and the Structure of Matter 53 3.2 Line Shape 59 3.3 Telescopes 65 3.4 Atomic Spectroscopy 74 3.5 Molecular Astronomy 78 3.6 Molecular Masers 97 3.7 Detection of Hydrogen 99 3.8 Diffuse Interstellar Bands 100 3.9 Spectral Mapping 102 Problems 103 References 106 4 Stellar Chemistry 109 4.1 Classes of Stars 111 4.2 Herzprung–Russell Diagram 112 4.3 Stellar Evolution 113 4.4 Stellar Spectra 123 4.5 Exotic Stars 131 4.6 Cycle of Star Formation 138 Problems 139 References 142 5 The Interstellar Medium 145 5.1 Mapping Clouds of Molecules 146 5.2 Molecules in the Interstellar and Circumstellar Medium 152 5.3 Physical Conditions in the Interstellar Medium 156 5.4 Rates of Chemical Reactions 160 5.5 Chemical Reactions in the Interstellar Medium 170 5.6 Photochemistry 173 5.7 Charged Particle Chemistry 176 5.8 Polycyclic Aromatic Hydrocarbons 176 5.9 Dust Grains 180 5.10 Chemical Models of Molecular Clouds 185 5.11 Running the Models 192 5.12 Prebiotic Molecules in the Interstellar Medium 194 Problems 199 References 204 6 Meteorite and Comet Chemistry 207 6.1 Phases of Matter, Heat, and Change 208 6.2 Meteor Ablation 213 6.3 Enthalpy of Reaction 219 6.4 Formation of the Solar System 223 6.5 Classification of Meteorites 226 6.6 Geological Time 231 6.7 Chemical Analysis of Meteorites by 𝜇L2MS 235 6.8 Comet Chemistry 247 6.9 Chemical Composition of Comets 252 6.10 Cometary Collisions with Planets 257 6.11 The Rosetta Mission 259 Problems 263 References 270 7 Planetary Chemistry 275 7.1 Structure of a Star–Planet System 276 7.2 Surface Gravity 278 7.3 Formation of the Earth 280 7.4 Earth–Moon System 283 7.5 Geological Periods 285 7.6 Radiative Heating 287 7.7 The Habitable Zone 289 7.8 Detecting Extrasolar Planets 291 7.9 Extrasolar Planets – The Current Inventory 293 7.10 Planetary Atmospheres 295 7.11 Atmospheric Photochemistry 304 7.12 Biomarkers in the Atmosphere 310 Problems 311 References 317 8 Prebiotic Chemistry 319 8.1 Carbon- and Water-Based Life Forms 319 8.2 Solvent Properties 320 8.3 Spontaneous Chemical Reactions 321 8.4 Acid–Base Buffers 332 8.5 Prebiotic Molecular Inventory 335 8.6 Exogenous Delivery of Organic Molecules 345 8.7 Homochirality 346 8.8 Surface Metabolism 350 8.9 Geothermal Vents 353 8.10 RNA World Hypothesis 356 Problems 358 References 362 9 Primitive Life Forms 365 9.1 Self-Assembly and Encapsulation 366 9.2 Protocells 370 9.3 Enzyme Catalysis 379 9.4 Universal Tree of Life 380 9.5 Astrobiology 383 9.6 Subsurface Antarctic Lakes – Astrobiological Time Capsules 390 Problems 391 References 396 10 Mars and Titan – Habitats for Life? 399 10.1 Solar System Habitats 399 10.2 Biosignatures 400 10.3 Contamination 404 10.4 Mars 405 10.5 Titan 408 10.6 Physical-Chemical Properties and the Radiation Budget 409 10.7 Temperature-Dependent Chemistry 414 10.8 The Atmospheres 416 10.9 Astrobiology on Mars and Titan 427 10.10 And Finally 430 Problems 430 References 437 Appendix A: Constants and Units 441 Appendix B: Astronomical Data 443 Appendix C: Thermodynamic Properties of Selected Compounds 445 Solutions to Problems 447 Index 475

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Book SynopsisThe science that underpins organic agriculture and its impact upon the management of agricultural systems has been rarely addressed.Table of ContentsList of Contributors xi Preface xiii 1 Science and Organic Agriculture: An Introduction 1 David Atkinson and Christine A. Watson 1.1 What is the Role of this Volume? 1 1.2 What is Organic Agriculture? 2 1.3 So What is Distinctive About its Science Base? 5 1.4 The Ecological Roots of Organic Production 6 1.5 Key Elements in the Science Context of Organic Agriculture 8 1.6 Some Areas of Different Science 10 1.7 Production Systems Compared 13 1.8 A Science Base for All Production 15 1.9 The Changing Context of Farming 18 References 21 2 Science, Research and Organic Farming 25Lawrence Woodward 2.1 Introduction 25 2.2 The Roots of the Approach 25 2.2.1 Is it a philosophical or political movement and cannot therefore be scientific? 26 2.2.2 Does it lack coherence except as a marketing exercise? 27 2.2.3 Is it inherently unscientific because it is based on concepts that are not explicable in rational scientific terms? 28 2.3 Agricultural Science: Some Reflections 30 2.4 Conclusion 32 References 32 3 Framing and Farming: Putting Organics in a Societal Context 33Pete Ritchie 3.1 Introduction 33 3.2 The Origin of Organics 34 3.3 The Argument from Economics: Is More Better? 35 3.4 The Argument from the Environment: Externalities Matter 37 3.5 The Argument from Ethics: There’s Something Wrong with the System 37 3.5.1 What is the Place of Humans in Nature? 38 3.5.2 What is Farming For, and What Makes for Good Farming? 40 3.5.3 How can the way we produce food promote social justice? 41 3.6 Aligning Organics with Social Justice 42 3.7 Conclusion 43 References 43 Further Reading 43 4 Soil Health and Its Management for Organic Farming 45Elizabeth A. Stockdale, Tony C. Edwards and Christine A. Watson 4.1 Introduction 45 4.2 Soil Components 47 4.2.1 Soil Parent Material and Profile Formation 47 4.2.2 Soil Organic Matter 48 4.2.3 Soil Organisms 48 4.3 Key Soil Processes in Agricultural Systems 51 4.3.1 Decomposition 51 4.4 Soil Structure Formation and Stabilisation 53 4.5 Below‐Ground Ecological Interactions 54 4.6 Nutrient Cycling and Management 56 4.6.1 Potassium (K) and Other Cations (Mg, Ca) 56 4.6.2 Nitrogen (N) 57 4.6.3 Phosphorus (P) 59 4.7 Impact of Agricultural Management Practices on Soil Function and Health 61 4.8 Cropping Systems 63 4.9 Intensive Grassland 65 4.10 Conclusion 66 References 68 5 Cropping Systems and Crop Choice 79Robin L. Walker 5.1 Farming Systems 79 5.2 Land Capability and Cropping System Choice 81 5.2.1 Rainfall 81 5.2.2 Temperature 81 5.2.3 Altitude and Topography 82 5.2.4 Soil 83 5.2.5 Markets 83 5.2.6 Traditions 83 5.2.7 Government Policy 84 5.3 How Land Capability is Used in Practice 84 5.4 Conclusion 85 References 85 6 Crop Rotations: The Core of Organic Production 87David Atkinson and Robin L. Walker 6.1 Introduction 87 6.2 The History of Crop Rotations 88 6.3 Rotations in Organic Production 91 6.4 The Ecological Science Base of Organic Production 94 6.5 Impact of Rotations on Soil Properties 95 6.5.1 Impact of Rotations on Soil Condition 95 6.5.2 Impact of Rotations on Nutrient Availability 98 6.5.3 Nitrogen Supply in Rotations 99 6.5.4 Phosphorus Supply in Rotations 100 6.6 Impact of Rotations on Crop Protection 103 6.7 Stockless Rotations 105 6.8 Conclusion 105 References 107 7 What Can Organic Farming Contribute to Biodiversity Restoration? 111Ruth E. Feber, Paul J. Johnson and David W. Macdonald 7.1 Why Conserve Farmland Biodiversity? 111 7.2 What Can Organic Farming Contribute to Biodiversity Conservation? 116 7.3 Effects of Organic Farming Vary with Taxa 118 7.4 How Rapid is the Effect of Conversion to Organic on Biodiversity? 120 7.5 Landscape Context and Species Traits 121 7.6 Wider Considerations 123 Acknowledgements 126 References 126 8 Optimising Crop Production in Organic Systems 133David Atkinson and Robin L. Walker 8.1 Introduction 133 8.2 Basic Issues 134 8.3 Light Interception: The Basis of All Production 136 8.3.1 Energy Capture 136 8.3.2 Canopy Duration 137 8.3.3 Stomatal Functioning 138 8.3.4 Crop Species 138 8.3.5 Crop Growth and Resource Partitioning 140 8.3.6 Soil‐Related Factors 141 8.3.7 Consequences 142 8.4 What Current Issues Affect Choice of Crop Production System? 142 8.5 What Options Exist for Regulating Yields? 144 8.6 How Different are Conventional and Organic Yields? 145 8.7 The Environmental Impact of Organic Systems 147 8.8 Conclusion 148 References 148 9 Crop Production: Meeting the Nutrient Needs 151David Atkinson and Robin L. Walker 9.1 Introduction 151 9.2 Getting Nutrients into Organic Crops 152 9.3 What is the Impact of Differences in Soil Nutrient Supply? 154 9.4 Organic Manures: Recycling of Nutrient Sources 155 9.5 Crop Rotations 157 9.6 Cover Crops 158 9.7 Legumes 158 9.8 Soil Microbial Populations and Inoculation 159 9.9 The Impact of Different Soil Nutrients 160 9.9.1 Nitrogen: How Much N Does a Crop Need? 160 9.9.2 Phosphorus 162 9.9.3 Potassium 163 9.9.4 Sulphur 164 9.10 Conclusion 164 References 165 10 Crop Attributes Facilitating the Use of Soil Resources 169David Atkinson 10.1 Introduction 169 10.2 Nutrient Capture and Utilisation 171 10.2.1 Basic Issues 171 10.2.2 Nutrient Availability 172 10.3 The Functional Requirements of a Root System 172 10.3.1 Basic Issues 172 10.3.2 Relation of Root Activity to Soil Processes 172 10.3.3 The Impact of Root System Form 174 10.3.4 Variation Between Crop Species 175 10.3.5 Variation Within Crop Species 178 10.4 Case Studies 180 10.4.1 Case Study 1: Betula pendula 180 10.4.2 Case Study 2: Spring Barley 182 10.5 Root Dynamics and Carbon Inputs to the Soil 183 10.5.1 Root Dynamics 183 10.5.2 Root Longevity 184 10.6 Variation in Root Systems in Practice 185 10.6.1 Variation in Root Systems with Functional Significance 185 10.6.2 The Ability of the Crop Plant to Extract Nutrients from the Soil 188 10.7 Case Study 3: Apple 188 10.8 So How Much Root Does a Plant Need? 191 10.9 Conclusion 192 References 193 11 Mycorrhizal Activity, Resource and Microbial Cycles 199David Atkinson 11.1 Introduction 199 11.2 Mycorrhizal Establishment 199 11.3 Mycorrhizal Effects 201 11.4 The AMF Association 202 11.5 Effects on Plant Nutrition: Basic Mechanisms 203 11.6 Impact on Crop Nutrition 204 11.7 The Impact of AMF on Soil Structure 204 11.8 Carbon Flows into the Soil 204 11.9 The Impact of AMF on Adaptation to the Soil Physical Environment 205 11.10 The Impact of AMF on Plant Pathogens 206 11.11 Impact of AMF on Roots 206 11.12 Arbuscular Mycorrhizal Fungi and the Management of Soils 209 11.13 Conclusions: AMF and Root Functioning 209 References 209 12 Crop Protection and Food Quality: Challenges and Answers 213David Atkinson and Robin L. Walker 12.1 Introduction 213 12.2 Crop Protection Against Pests, Weeds and Diseases 214 12.3 Weed Control 215 12.4 Living with Crop Diseases 219 12.4.1 The Impact of AMF on Plant Pathogens 220 12.4.2 Plant Varietal‐Based Resistance 222 12.5 Pest Control 224 12.6 The Quality of Organic Crops and Crop‐Based Foods 226 12.6.1 Varietal Selection 227 12.6.2 The Production System 228 12.6.3 Inputs Used as Part of the Cultural System 228 12.6.4 Inherent Attributes 230 12.6.5 Microbial Content and Chemical Contamination 231 12.7 Conclusion 231 References 232 13 Plant Breeding and Genetics in Organic Agriculture 237Thomas F. Döring and Martin S. Wolfe 13.1 Introduction 237 13.2 Plant Diversity in Agro‐Ecosystems 238 13.2.1 Genetic Diversity 239 13.2.2 Species and Ecosystem Diversity 241 13.2.3 Effects of Crop Diversity: Types of Mechanisms 242 13.3 Crop Genetics in Complex and Dynamic Environments 244 13.3.1 The Organic Principle of Ecology 244 13.3.2 The Ecology of G × E Interactions 244 13.3.3 Implications of G × E Interactions for Testing Varieties for Organic Agriculture 245 13.3.4 Genetic Properties of Crops for Suitability in Organic Systems 248 13.3.5 Crop Genetics for Ecological Cropping Systems Design 249 13.3.6 Limitations of Crop Genetics and the Role of Plant Genetic Diversity 250 13.4 Crop Genetics for Health 250 13.4.1 The Organic Principle of Health 250 13.4.2 What is Health? 251 13.4.3 Connections Between Crop Genetics and Health 251 13.4.4 The Role of Plant Genetic Diversity for Health 256 13.5 Socioeconomics, Policies and Regulations 257 13.5.1 The Organic Principle of Fairness 257 13.5.2 Traditional Landraces and the Protection of Plant Genetic Resources 258 13.5.3 Sharing the Costs and Benefits of Plant Breeding 259 13.5.4 Hybrid Varieties in Organic Farming 259 13.6 Indeterminism and Crop Genetics 260 13.6.1 The Organic Principle of Care 260 13.6.2 Implications of the Care Principle for Crop Breeding 260 13.6.3 The Role of Plant Genetic Diversity for the Care Principle 261 13.7 Conclusion 261 References 262 14 Exploring the Systems Concept in Contemporary Organic Farming Research 273Christine A. Watson and Bruce D. Pearce 14.1 Introduction 273 14.2 The Importance of the Systems Concept in Organic Farming 274 14.3 How are Systems Reflected in Regulation? 275 14.4 Applying the Systems Concept to Organic Production 275 14.5 How is the Systems Concept Reflected in Organic Farming Research? 277 14.5.1 Example 1. Comparison of Production Systems 280 14.5.2 Example 2. Food Quality and Its Relation to Production Systems 281 14.5.3 Example 3. Weed Control 282 14.5.4 Example 4. Plant Breeding 282 14.6 Cautionary Tales 283 14.7 Are the Research Needs of Organic Farming Different from Conventional Farming? 283 References 284 15 Science Base of Organic Agriculture: Some Conclusions 289David Atkinson and Christine A. Watson 15.1 Introduction 289 15.2 Increasing the Contribution of Organic Agriculture to Global Food Production 291 15.3 Challenges to Organic Production 295 15.4 Conclusion 297 References 297 Index 299

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Book SynopsisWith the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field.The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use Trade Review"The book ... is a surprisingly comprehensive, monumental collection of chapters by a number of researchers in the field of drug discovery. ... [Editor Jean-Paul] Renaud was able to see the broad crucial aspects of the field and therefore able to invite excellent scientists to coauthor this book and cover so many aspects and in so much depth." -- Crystallography Reviews, March 2022Table of ContentsList of Contributors Preface Chapter 01: The Evolving Role of Structural Biology in Drug Discovery Chapter 02: A Structural View on Druggability: Experimental and Computational Approaches Chapter 03: Structural Chemogenomics: Profiling Protein–Ligand Interactions in Polypharmacological Space Chapter 04: Fragment-Based Ligand Discovery Chapter 05: Combining Structural, Thermodynamic and Kinetic Information to Drive Hit-to-Lead Progression Chapter 06: Allostery as Structure-Encoded Collective Dynamics: Significance in Drug Design Chapter 07: Biophysical Assessment of Target Protein Quality in Structure-Based Drug discovery Chapter 08: An Industrial Perspective on Protein-Ligand Complex Crystallization Chapter 09: Membrane Protein Crystallization Chapter 10: High-throughput Macromolecular Crystallography in Drug Discovery: Evolving in the Midst of Revolutions Chapter 11: Assessment of Crystallographic Structure Quality and Protein – Ligand Complex Structure Validation Chapter 12: Complementary Information from Neutron Crystallography Studies Chapter 13: Determination of Protein Structure and Dynamics by NMR: State of the Art and Application to the Characterization of Biotherapeutics Chapter 14: NMR Studies of Protein – Small Molecule Interactions for Drug Discovery Chapter 15: Computational Structural Biology for Drug Discovery: Power and Limitations Chapter 16: The Role of Structural Biology in Kinase Inhibitors Drug Discovery Success Chapter 17: Serine Proteinases from the Blood Coagulation Cascade Chapter 18: Epigenetic Proteins as Emerging Drug Targets Chapter 19: Impact of Recently Determined Crystallographic Structures of GPCRs on Drug Discovery Chapter 20: Targeting Protein–Protein Interactions Perspective Chapter 21: Mass Spectrometry-Based Strategies for Therapeutic Antibodies Extensive Characterization and Optimization (OptimAbs) Chapter 22: Integrating Evolution of Drug Resistance into Drug Discovery: Lessons from the Viral Proteases of HIV-1 and HCV Chapter 23: A Comprehensive Review on Mycobacterium Tuberculosis Targets and Drug Development from a Structural Perspective Chapter 24: Using Crystal Structures of Drug-Metabolizing Enzymes in Mechanism-Based Modeling for Drug Design Chapter 25: Intrinsically Disordered Proteins (IDPs): Targets for the Future? Chapter 26: Cryo-electron Microscopy as a Tool for Drug Discovery in the Context of Integrative Structural Biology Chapter 27: Application of Hard-X-ray Free-electron Lasers for Static and Dynamic Processes in Structural Biology

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Book Synopsis

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