Analytical chemistry Books

Book SynopsisIntroduces your students to the advances in spectroscopy with the text that has set the standard in the field for more than three decades.Table of Contents1. Molecular Formulas and What Can Be Learned from Them. 2. Infrared Spectroscopy. 3. Nuclear Magnetic Resonance Spectroscopy Part One: Basic Concepts. 4. Nuclear Magnetic Resonance Spectroscopy Part Two: Carbon-13 Spectra, Including Heteronuclear Coupling with Other Nuclei. 5. Nuclear Magnetic Resonance Spectroscopy Part Three: Spin-Spin Coupling. 6. Nuclear Magnetic Resonance Spectroscopy Part Four: Other Topics in One-Dimensional NMR. 7. Ultraviolet Spectroscopy. 8. Mass Spectrometry. 9. Combined Structure Problems. 10. Nuclear Magnetic Resonance Spectroscopy Part Five: Advanced NMR Techniques. Answers to Selected Problems. Appendix 1: Infrared Absorption Frequencies of Functional Groups. Appendix 2: Some Representative Chemical Shift Values for Various Types of Protons. Appendix 3: Typical Proton Coupling Constants. Appendix 4: Calculation of Proton (1H) Chemical Shifts. Appendix 5: Calculation of Carbon-13 Chemical Shifts. Appendix 6: 13C Coupling Constants. Appendix 7: Tables of Precise Masses and Isotopic Abundance Ratios for Molecular Ions Under Mass 100 Containing Carbon, Hydrogen, Nitrogen, and Oxygen. Appendix 8: Common Fragment Ions Under Mass 105. Appendix 9: Handy-Dandy Guide to Mass Spectral Fragmentation Patterns. Appendix 10: Index of Spectra.

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Book SynopsisTable of Contents1. The Nature of Analytical Chemistry Part 1: Quality of Analytical Measurements 2.Calculations Used In Analytical Chemistry 3.Precision and Accuracy of Chemical Analysis 4.Random Errors in Chemical Analysis 5.Statistical Data Treatment and Evaluation 6.Sampling, Standardization and Calibration Part II Chemical Equilibria 7.Aqueous Solutions and Chemical Equilibria 8.Effect of Electrolytes on Chemical Equilibria 9.Solving Equilibrium Problems for Complex Systems Part III Classical Methods of Analysis 10.Gravimetric Methods of Analysis 11.Titrations in Analytical Chemistry 12.Principles of Neutralization Titrations 13.Complex Acid/Base Systems 14.Applications of Neutralization Titrations 15.Complexation and Precipitation Reactions and Titrations Part IV Electrochemical Methods 16.Introduction to Electrochemistry 17.Applications of Standard Electrode Potentials 18.Applications of Oxidation/Reduction Titrations 19.Potentiometry 20.Bulk Electrolysis: Electrogravimetry and Coulometry 21.Voltammetry Part VSpectrochemical Analysis 22.Introduction to Spectrochemical Methods 23.Instruments for Optical Spectrometry 24.Molecular Absorption Spectroscopy 25.Molecular Fluorescence Spectroscopy 26.Atomic Spectroscopy 27.Mass Spectrometry Part VI Kinetics and Separations 28.Kinetic Methods of Analysis 29.Introduction to Analytical Separations 30.Gas Chromatography 31.High-Performance Liquid Chromatography 32.Miscellaneous Separation Methods Part VII Practical Aspects of Chemical Analysis Chapters 33-37 are available as pdf files on the Web 33.Analysis of Real Samples 34.Preparing Samples for Analysis 35.Decomposing and Desolving the Sample 36.Chemicals. Apparatus, and Unit Operations of Analytical Chemistry 37.Selected Methods of Analysis

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Book SynopsisMicrofluidic technology is revolutionising a number of scientific fields, including chemistry, biology, diagnostics, and engineering. The ability to manipulate fluids and objects within networks of micrometre-scale channels allows reductions in processing and analysis times, reagent and sample consumption, and waste production, whilst allowing fine control and monitoring of chemical or biological processes. The integration of multiple components and processes enable “lab-on-a-chip” devices and “micro total analysis systems” that have applications ranging from analytical chemistry, organic synthesis, and clinical diagnostics to cell biology and tissue engineering. This concise, easy-to-read book is perfectly suited for instructing newcomers on the most relevant and important aspects of this exciting and dynamic field, particularly undergraduate and postgraduate students embarking on new studies, or for those simply interested in learning about this widely applicable technology. Written by a team with more than 20 years of experience in microfluidics research and teaching, the book covers a range of topics and techniques including fundamentals (e.g. scaling laws and flow effects), microfabrication and materials, standard operations (e.g. flow control, detection methods) and applications. Furthermore, it includes questions and answers that provide for the needs of students and teachers in the area.Table of ContentsTheory of Microfluidics; Device Fabrication; Layout of Microfluidic Chips; Engineering Surfaces; Forces in Microfluidics; Flow Control; Valving and Pumping; Mixing; Droplet Formation and Manipulation; Extraction and Reactions; Separations on Chip; Optical Detection; Electrochemistry; Cells in Lab on a Chip; Development of a Lab-on-a-Chip Systems for Point-of-care Applications

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Book Synopsisto Fluorescence.- Instrumentation for Fluorescence Spectroscopy.- Fluorophores.- Time-Domain Lifetime Measurements.- Frequency-Domain Lifetime Measurements.- Solvent and Environmental Effects.- Dynamics of Solvent and Spectral Relaxation.- Quenching of Fluorescence.- Mechanisms and Dynamics of Fluorescence Quenching.- Fluorescence Anisotropy.- Time-Dependent Anisotropy Decays.- Advanced Anisotropy Concepts.- Energy Transfer.- Time-Resolved Energy Transfer and Conformational Distributions of Biopolymers.- Energy Transfer to Multiple Acceptors in One,Two, or Three Dimensions.- Protein Fluorescence.- Time-Resolved Protein Fluorescence.- Multiphoton Excitation and Microscopy.- Fluorescence Sensing.- Novel Fluorophores.- DNA Technology.- Fluorescence-Lifetime Imaging Microscopy.- Single-Molecule Detection.- Fluorescence Correlation Spectroscopy.- Radiative Decay Engineering: Metal-Enhanced Fluorescence.- Radiative-Decay Engineering: Surface Plasmon-Coupled Emission.Trade ReviewPraise for Earlier Editions: "Lakowicz’s Principles of Fluorescence Spectroscopy has been the best one-volume introduction to the biophysical principles of fluorescence methods. - Roger Y. Tsien, Ph.D., Department of Pharmacology and Department of Chemistry and Biochemistry, University of California, San Diego, California "Principles of Fluorescence Spectroscopy is encyclopedic and comprehensive." - Britton Chance, Professor Emeritus in Biochemistry and Biophysics,University of Pennsylvania, School of Medicine, Philadelphia, Pennsylvania "Recommended without reservation both to the novice and to the expert in fluorescence." - Analytical Biochemistry "In addition to its use as a student text, it should be a particularly valuable reference for those involved in biochemical research." - Chemistry in Britain Advance Praise for Third Edition: "This third edition has significantly expanded the topics, and will remain as a leading reference, as well as a text…the information in the book is valuable for a wide range of disciplines." - Robert M. Clegg, Ph.D., Department of Physics, University of Illinois, Champaign-Urbana, Illinois "Overall this is a most welcome, and timely transformation of the classic, and most comprehensive textbook on fluorescence spectroscopy. It should be the number one item on the shopping list for any student or researcher involved in any aspect of fluorescence, be it as a biologist who does some microscopy, or a chemist synthesizing novel fluorophores." - Alan Ryder, Ph.D., National Centre for Biomedical Engineering Science, National University of Ireland-Galway, Galway, Ireland From the reviews of the third edition: "This book gives an overview of the principles and applications of fluorescence. It is well structured, starting with basic knowledge about the phenomena of fluorescence and ending with the latest applications. … highly readable and informative both by novices and by experienced people. … a helpful work of reference and a wonderful creation for learning and teaching. The updated 3rd edition with its appealing design and its absolutely up-to-date and, nevertheless, complete treatment of fluorescence spectroscopy makes it essential for everyone working in this field." (Christiane Albrecht, Analytical and Bioanalytical Chemistry, Vol. 390, 2008)Table of Contentsto Fluorescence.- Instrumentation for Fluorescence Spectroscopy.- Fluorophores.- Time-Domain Lifetime Measurements.- Frequency-Domain Lifetime Measurements.- Solvent and Environmental Effects.- Dynamics of Solvent and Spectral Relaxation.- Quenching of Fluorescence.- Mechanisms and Dynamics of Fluorescence Quenching.- Fluorescence Anisotropy.- Time-Dependent Anisotropy Decays.- Advanced Anisotropy Concepts.- Energy Transfer.- Time-Resolved Energy Transfer and Conformational Distributions of Biopolymers.- Energy Transfer to Multiple Acceptors in One,Two, or Three Dimensions.- Protein Fluorescence.- Time-Resolved Protein Fluorescence.- Multiphoton Excitation and Microscopy.- Fluorescence Sensing.- Novel Fluorophores.- DNA Technology.- Fluorescence-Lifetime Imaging Microscopy.- Single-Molecule Detection.- Fluorescence Correlation Spectroscopy.- Radiative Decay Engineering: Metal-Enhanced Fluorescence.- Radiative-Decay Engineering: Surface Plasmon-Coupled Emission.

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Book SynopsisThe market-leader in medicinal chemistry: clear, supportive, and practical. It helps students to effortlessly make the link from theory to real-life applications using practical and focused coverage alongside a package of supportive online resources.Trade ReviewThe best general undergraduate textbook on medicinal chemistry. This new edition retains the accessible style of writing, but provides important updates on the topics. * Dr Mark Ashton, School of Pharmacy, Newcastle University, UK *I read this masterpiece to build a strong knowledge of medicinal chemistry and it has helped me a lot. I would definitely recommend it to others. Detailed explanations of enzyme-substrate interactions and much more are very useful. * Jinkal Gondaria, MChem student, Manchester Metropolitan University, UK *A very useful medical chemistry book and teaching tool. Great learning resources and easy to digest content. * Dr Silvia M.M.A. Pereira-Lima, Department of Chemistry, University of Minho, Portugal *Table of Contents1: Drugs and Drug Targets 2: Protein Structure and Function 3: Enzymes: Structure and Function 4: Receptors: Structure and Function 5: Receptors and Signal Transduction 6: Nucleic Acids: Structure and Function 7: Enzymes as Drug Targets 8: Receptors as Drug Targets 9: Nucleic Acids as Drug Targets 10: Miscellaneous Drug Targets 11: Pharmacokinetics and Related Topics Case Study 1: Statins 12: Drug Discovery: Finding a Lead 13: Drug Design: Optimizing Target Interactions 14: Drug Design: Optimizing Access to the Target 15: Getting the Drug to Market Case Study 2: The Design of ACE Inhibitors Case Study 3: Artemisinin and Related Antimalarial Drugs Case Study 4: The Design of Oxamni Case Study 5: Fosfidomycin as an Antimalarial Agent 16: Combinatorial and Parallel Synthesis 17: In Silico Drug Design 18: Quantitative Structure-Activity Relationships Case Study 6: De Novo Design of a Thymidylate Synthase Inhibitor 19: Antibacterial Agents 20: Antiviral Agents 21: Anticancer Agents 22: Protein Kinase Inhibitors as Anticancer Agents 23: Antibodies and Other Biologics 24: Cholinergics, Anticholinergics, and Anticholinestarases 25: Drugs Acting on the Adrenergic Nervous System 26: The Opioid Analgesics 27: Anti-Ulcer Agents 28: Cardiovascular Drugs Case Study 7: Steroidal Anti-Inflammatory Agents Case Study 8: Design of a Novel Antidepressant Case Study 9: The Design and Development Of Aliskiren Case Study 10: Factor Xa Inhibitors Case Study 11: Reversible Inhibitors of HCV NS-34A Protease

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Book SynopsisMost fields of science, applied science, engineering, and technology deal with solutions in water. This volume is a comprehensive treatment of the aqueous solution chemistry of all the elements. The information on each element is centered around an E-pH diagram which is a novel aid to understanding. The contents are especially pertinent to agriculture, analytical chemistry, biochemistry, biology, biomedical science and engineering, chemical engineering, geochemistry, inorganic chemistry, environmental science and engineering, food science, materials science, mining engineering, metallurgy, nuclear science and engineering, nutrition, plant science, safety, and toxicology.Trade ReviewListed in In Brief Section, Chemistry World Aug 2010 Short description in the Journal of the American Chemical SocietyTable of Contents1. E-pH Diagrams ; 2. The Construction of E-pH Diagrams ; 3. Reactions and Applications ; 4. Precipitation and Complexation ; 5. The Lithium Group ; 6. The Beryllium Group ; 7. The Boron Group ; 8. The Carbon Group ; 9. The Nitrogen Group ; 10. The Oxygen Group ; 11. The Fluorine Group ; 12. The Scandium Group ; 13. The Ti Group and the 5B, 6B, 7B and 8B Heavy Elements ; 14. The V-Cr-Mn Group ; 15. The Fe-Co-Ni Group ; 16. The Cu Group ; 17. The Zinc Group ; 18. The Actinoid Metals

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Book SynopsisSolvents other than water are used in chemical analysis, manufacturing and specialist syntheses. This book, written for undergraduate chemistry students, covers the necessary theory required to understand how to choose appropriate solvents for different applications. It includes details for the common solvents used in contemporary chemistry.Table of ContentsChapter 1: General properties ; 1.1 Introduction ; 1.2 Polarity, Polarization, and Polarizability ; 1.3 Assessment of solvent polarity ; 1.4 Polarity assessment from physical properties ; 1.5 Polarity assessment from chemical properties ; 1.6 Correlation of Solute properties with solvent ; 1.7 Classification of molecular solvents ; 1.8 Problems ; Chapter 2: Chemistry in non-aqueous solvents ; Introduction ; 2.1 Acid-base reactions ; 2.2 Redox reactions ; 2.3 Solvation, solvolysis, solubility, and solvates ; 2.4 Problems ; Chapter 3: Some molecular solvents ; 3.1 Acetic acid ; 3.2 Acetonitrile ; 3.3 Ammonia metals in liquid ammonia; reactions of ammoniated electrons; electrides and alkalides; acid-base reactions in liquid ammonia ; 3.4 Bromine trifluoride ; 3.5 N, N'-Dimethylformamide ; 3.6 Dimethyl sulfoxide ; 3.7 Dinitrogen tetroxide ; 3.8 Ethanol ; 3.9 Ethylenediamine ; 3.10 Hexamethyphosphoramide ; 3.11 Hydrogen fluoride ; 3.12 Sulfur dioxide ; 3.13 Sulfuric acid ; 3.14 Superacides ; 3.15 Tetrahydrofuran ; 3.16 Supercritical fluids ; 3.17 Problems ; Chapter 4: Molten framework solids ; 4.1 Molten salts and oxides ; 4.2 Molten halides ; 4.3 Metals in molten salts ; 4.4 Low melting salts ; 4.5 Group 1 metal nitrate melts ; 4.6 Hydroxide melts as solvents ; 4.7 Oxides as solvents ; Glossary ; Table of molecular solvents ; Bibliography ; Answers to problems

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Book SynopsisTable of ContentsMolecular Spectroscopy - Linear and Non-Linear 1. Introduction and overview 2. Advanced Spectral Analysis of Complex Molecular System 3. Tip-enhanced Raman spectroscopy for optical nano-imaging 4. Chiroptical spectroscopy techniques for asymmetric reactions 5. Miniaturized Near-Infrared Spectroscopy in Natural Product Analysis. Current and future directions. 6. Near-infrared spectroscopy for medical, food and forage applications 7. Thin Layer Chromatography-Surface Enhanced Raman Scattering (TLC-SERS) Advanced Instrumentation and Applications 8. Raman Integrated Optical Photothermal Infrared Microscopy 9. Fourier transform infrared, optical photothermal infrared and Raman spectroscopy for detection of microplastic particles 10. Plasmonic nano-sensors and their spectroscopic applications - Current trends and future perspectives Biochemical and Medical Applications 11. Applications of SERS in biochemical and medical analysis 12. IR spectroscopy and imaging using polarized light with QCLs 13. Terahertz spectroscopy of biological molecules in solid, liquid, and gaseous states. Time-resolved and Ultrafast Spectroscopy 14. Step-scan FTIR Spectroscopy (absorption and emission) for detecting Reaction Intermediates 15. Spectral and kinetic investigations of gaseous transient species with quantum-cascade laser 16. Ultrafast spectroscopy of the transition state: Real-time tracking of the molecular structural dynamics of photochemical pathways using vibrational spectroscopy techniques 17. Ultrafast Infrared Probes of Electronic Processes in Materials

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Book SynopsisThis completely updated and revised second edition of Surface Analysis: The Principal Techniques, deals with the characterisation and understanding of the outer layers of substrates, how they react, look and function which are all of interest to surface scientists. Within this comprehensive text, experts in each analysis area introduce the theory and practice of the principal techniques that have shown themselves to be effective in both basic research and in applied surface analysis. Examples of analysis are provided to facilitate the understanding of this topic and to show readers how they can overcome problems within this area of study.Table of ContentsList of Contributors xv Preface xvii 1 Introduction 1John C. Vickerman 1.1 How do we Define the Surface? 1 1.2 How Many Atoms in a Surface? 2 1.3 Information Required 3 1.4 Surface Sensitivity 5 1.5 Radiation Effects – Surface Damage 7 1.6 Complexity of the Data 8 2 Auger Electron Spectroscopy 9Hans Jörg Mathieu 2.1 Introduction 9 2.2 Principle of the Auger Process 10 2.2.1 Kinetic Energies of Auger Peaks 11 2.2.2 Ionization Cross-Section 15 2.2.3 Comparison of Auger and Photon Emission 16 2.2.4 Electron Backscattering 17 2.2.5 Escape Depth 18 2.2.6 Chemical Shifts 19 2.3 Instrumentation 21 2.3.1 Electron Sources 22 2.3.2 Spectrometers 24 2.3.3 Modes of Acquisition 24 2.3.4 Detection Limits 29 2.3.5 Instrument Calibration 30 2.4 Quantitative Analysis 31 2.5 Depth Profile Analysis 33 2.5.1 Thin Film Calibration Standard 34 2.5.2 Depth Resolution 36 2.5.3 Sputter Rates 37 2.5.4 Preferential Sputtering 40 2.5.5 λ-Correction 41 2.5.6 Chemical Shifts in AES Profiles 42 2.6 Summary 43 References 44 Problems 45 3 Electron Spectroscopy for Chemical Analysis 47Buddy D. Ratner and David G. Castner 3.1 Overview 47 3.1.1 The Basic ESCA Experiment 48 3.1.2 A History of the Photoelectric Effect and ESCA 48 3.1.3 Information Provided by ESCA 49 3.2 X-ray Interaction withMatter, the Photoelectron Effect and Photoemission from Solids 50 3.3 Binding Energy and the Chemical Shift 52 3.3.1 Koopmans’ Theorem 53 3.3.2 Initial State Effects 53 3.3.3 Final State Effects 57 3.3.4 Binding Energy Referencing 58 3.3.5 Charge Compensation in Insulators 60 3.3.6 Peak Widths 61 3.3.7 Peak Fitting 62 3.4 Inelastic Mean Free Path and Sampling Depth 63 3.5 Quantification 67 3.5.1 Quantification Methods 68 3.5.2 Quantification Standards 70 3.5.3 Quantification Example 71 3.6 Spectral Features 73 3.7 Instrumentation 80 3.7.1 Vacuum Systems for ESCA Experiments 80 3.7.2 X-ray Sources 82 3.7.3 Analyzers 84 3.7.4 Data Systems 86 3.7.5 Accessories 88 3.8 Spectral Quality 88 3.9 Depth Profiling 89 3.10 X–Y Mapping and Imaging 94 3.11 Chemical Derivatization 96 3.12 Valence Band 96 3.13 Perspectives 99 3.14 Conclusions 100 Acknowledgements 101 References 101 Problems 109 4 Molecular Surface Mass Spectrometry by SIMS 113John C. Vickerman 4.1 Introduction 113 4.2 Basic Concepts 116 4.2.1 The Basic Equation 116 4.2.2 Sputtering 116 4.2.3 Ionization 121 4.2.4 The Static Limit and Depth Profiling 123 4.2.5 Surface Charging 124 4.3 Experimental Requirements 125 4.3.1 Primary Beam 125 4.3.2 Mass Analysers 131 4.4 Secondary Ion Formation 140 4.4.1 Introduction 140 4.4.2 Models of Sputtering 143 4.4.3 Ionization 149 4.4.4 Influence of the Matrix Effect in Organic Materials Analysis 151 4.5 Modes of Analysis 155 4.5.1 Spectral Analysis 155 4.5.2 SIMS Imaging or Scanning SIMS 166 4.5.3 Depth Profiling and 3D Imaging 173 4.6 Ionization of the Sputtered Neutrals 183 4.6.1 Photon Induced Post-Ionization 184 4.6.2 Photon Post-Ionization and SIMS 190 4.7 Ambient Methods of Desorption Mass Spectrometry 194 References 199 Problems 203 5 Dynamic SIMS 207David McPhail and Mark Dowsett 5.1 Fundamentals and Attributes 207 5.1.1 Introduction 207 5.1.2 Variations on a Theme 211 5.1.3 The Interaction of the Primary Beam with the Sample 214 5.1.4 Depth Profiling 217 5.1.5 Complimentary Techniques and Data Comparison 224 5.2 Areas and Methods of Application 226 5.2.1 Dopant and Impurity Profiling 226 5.2.2 Profiling High Concentration Species 227 5.2.3 Use of SIMS in Near Surface Regions 230 5.2.4 Applications of SIMS Depth Profiling in Materials Science 233 5.3 Quantification of Data 233 5.3.1 Quantification of Depth Profiles 233 5.3.2 Fabrication of Standards 239 5.3.3 Depth Measurement and Calibration of the Depth Scale 241 5.3.4 Sources of Error in Depth Profiles 242 5.4 Novel Approaches 246 5.4.1 Bevelling and Imaging or Line Scanning 246 5.4.2 Reverse-Side Depth Profiling 250 5.4.3 Two-Dimensional Analysis 251 5.5 Instrumentation 252 5.5.1 Overview 252 5.5.2 Secondary Ion Optics 253 5.5.3 Dual Beam Methods and ToF 254 5.5.4 Gating 254 5.6 Conclusions 256 References 257 Problems 267 6 Low-Energy Ion Scattering and Rutherford Backscattering 269Edmund Taglauer 6.1 Introduction 269 6.2 Physical Basis 271 6.2.1 The Scattering Process 271 6.2.2 Collision Kinematics 272 6.2.3 Interaction Potentials and Cross-sections 275 6.2.4 Shadow Cone 278 6.2.5 Computer Simulation 281 6.3 Rutherford Backscattering 284 6.3.1 Energy Loss 284 6.3.2 Apparatus 287 6.3.3 Beam Effects 289 6.3.4 Quantitative Layer Analysis 290 6.3.5 Structure Analysis 293 6.3.6 Medium-Energy Ion Scattering (MEIS) 297 6.3.7 The Value of RBS and Comparison to Related Techniques 298 6.4 Low-Energy Ion Scattering 300 6.4.1 Neutralization 300 6.4.2 Apparatus 303 6.4.3 Surface Composition Analysis 307 6.4.4 Structure Analysis 316 6.4.5 Conclusions 323 Acknowledgement 324 References 324 Problems 330 Key Facts 330 7 Vibrational Spectroscopy from Surfaces 333Martyn E. Pemble and Peter Gardner 7.1 Introduction 333 7.2 Infrared Spectroscopy from Surfaces 334 7.2.1 Transmission IR Spectroscopy 335 7.2.2 Photoacoustic Spectroscopy 340 7.2.3 Reflectance Methods 342 7.3 Electron Energy Loss Spectroscopy (EELS) 361 7.3.1 Inelastic or ‘Impact’ Scattering 362 7.3.2 Elastic or ‘Dipole’ Scattering 365 7.3.3 The EELS (HREELS) Experiment 367 7.4 The Group Theory of Surface Vibrations 368 7.4.1 General Approach 368 7.4.2 Group Theory Analysis of Ethyne Adsorbed at a Flat, Featureless Surface 369 7.4.3 Group Theory Analysis of Ethyne Adsorbed at a (100) Surface of an FCC Metal 373 7.4.4 The Expected Form of the RAIRS and Dipolar EELS (HREELS) Spectra 374 7.5 Laser Raman Spectroscopy from Surfaces 375 7.5.1 Theory of Raman Scattering 376 7.5.2 The Study of Collective Surface Vibrations (Phonons) using Raman Spectroscopy 377 7.5.3 Raman Spectroscopy from Metal Surfaces 379 7.5.4 Spatial Resolution in Surface Raman Spectroscopy 380 7.5.5 Fourier Transform Surface Raman Techniques 380 7.6 Inelastic Neutron Scattering (INS) 381 7.6.1 Introduction to INS 381 7.6.2 The INS Spectrum 382 7.6.3 INS Spectra ofHydrodesesulfurization Catalysts 382 7.7 Sum-Frequency Generation Methods 383 References 386 Problems 389 8 Surface Structure Determination by Interference Techniques 391Christopher A. Lucas 8.1 Introduction 391 8.1.1 Basic Theory of Diffraction – Three Dimensions 392 8.1.2 Extension to Surfaces – Two Dimensions 398 8.2 Electron Diffraction Techniques 402 8.2.1 General Introduction 402 8.2.2 Low Energy Electron Diffraction 403 8.2.3 Reflection High Energy Electron Diffraction (RHEED) 418 8.3 X-ray Techniques 424 8.3.1 General Introduction 424 8.3.2 X-ray Adsorption Spectroscopy 427 8.3.3 Surface X-ray Diffraction (SXRD) 447 8.3.4 X-ray Standing Waves (XSWs) 456 8.4 Photoelectron Diffraction 464 8.4.1 Introduction 464 8.4.2 Theoretical Considerations 465 8.4.3 Experimental Details 469 8.4.4 Applications of XPD and PhD 470 References 474 9 Scanning Probe Microscopy 479Graham J. Leggett 9.1 Introduction 479 9.2 Scanning Tunnelling Microscopy 480 9.2.1 Basic Principles of the STM 481 9.2.2 Instrumentation and Basic Operation Parameters 487 9.2.3 Atomic Resolution and Spectroscopy: Surface Crystal and Electronic Structure 489 9.3 Atomic Force Microscopy 511 9.3.1 Basic Principles of the AFM 511 9.3.2 Chemical Force Microscopy 524 9.3.3 Friction Force Microscopy 526 9.3.4 Biological Applications of the AFM 532 9.4 Scanning Near-Field Optical Microscopy 537 9.4.1 Optical Fibre Near-Field Microscopy 537 9.4.2 Apertureless SNOM 541 9.5 Other Scanning Probe Microscopy Techniques 542 9.6 Lithography Using Probe Microscopy Methods 544 9.6.1 STM Lithography 544 9.6.2 AFM Lithography 545 9.6.3 Near-Field Photolithography 549 9.6.4 The ‘Millipede’ 550 9.7 Conclusions 551 References 552 Problems 559 10 The Application of Multivariate Data Analysis Techniques in Surface Analysis 563Joanna L.S. Lee and Ian S. Gilmore 10.1 Introduction 563 10.2 Basic Concepts 565 10.2.1 Matrix and Vector Representation of Data 565 10.2.2 Dimensionality and Rank 567 10.2.3 Relation to Multivariate Analysis 568 10.2.4 Choosing the Appropriate Multivariate Method 568 10.3 Factor Analysis for Identification 569 10.3.1 Terminology 570 10.3.2 Mathematical Background 570 10.3.3 Principal Component Analysis 571 10.3.4 Multivariate Curve Resolution 579 10.3.5 Analysis of Multivariate Images 582 10.4 Regression Methods for Quantification 591 10.4.1 Terminology 591 10.4.2 Mathematical Background 592 10.4.3 Principal Component Regression 594 10.4.4 Partial Least Squares Regression 595 10.4.5 Calibration, Validation and Prediction 596 10.4.6 Example – Correlating ToF–SIMS Spectra with PolymerWettability Using PLS 598 10.5 Methods for Classification 600 10.5.1 Discriminant Function Analysis 601 10.5.2 Hierarchal Cluster Analysis 602 10.5.3 Artificial Neural Networks 603 10.6 Summary and Conclusion 606 Acknowledgements 608 References 608 Problems 611 Appendix 1 Vacuum Technology for Applied Surface Science 613Rod Wilson A1.1 Introduction: Gases and Vapours 613 A1.2 The Pressure Regions of Vacuum Technology and their Characteristics 619 A1.3 Production of a Vacuum 622 A1.3.1 Types of Pump 622 A1.3.2 Evacuation of a Chamber 634 A1.3.3 Choice of Pumping System 635 A1.3.4 Determination of the Size of Backing Pumps 636 A1.3.5 Flanges and their Seals 636 A1.4 Measurement of Low Pressures 637 A1.4.1 Gauges for Direct Pressure Measurement 638 A1.4.2 Gauges Using Indirect Means of Pressure Measurement 640 A1.4.3 Partial Pressure Measuring Instruments 644 Acknowledgement 647 References 647 Appendix 2 Units, Fundamental Physical Constants and Conversions 649 A2.1 Base Units of the SI 649 A2.2 Fundamental Physical Constants 650 A2.3 Other Units and Conversions to SI 651 References 652 Index 653

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Book SynopsisThe title captures the ethos and content precisely. It brings basic chemistry into real life with examples that illustrate how chemical principals are inherent to bioanalytical procedures, making them accessible to readers with a background in life sciences. Microbiology Today, July 2009 a good overview of the basic strategies to tackle the complexity of analysis in biological environments and provides some illustrative examples for a better understanding of the theoretical concepts provides a fundamental introduction to the tools adopted by life and health scientists in the evolving and exciting new age of omics specifically applied to the diagnosis, treatment, cure and prevention of disease Analytical and Bioanalytical Chemistry, October 2009 Although chemistry is core to the life and health sciences, it is often viewed as a challenging subject. Conventional textbooks tend to present chemistry in a way that is not always easily accessible to stTrade Review"The authors have attempted to create a text that is more palatable for undergraduate cohorts, and they have succeeded well in this aim. … [A] useful introductory text on the fundamentals of bioanalytical chemistry." (Australian Biochemist, December 2009) "This book provides a good introduction to the bioanalysis world … .The authors have succeeded in using real-life examples to illustrate chemical principles and applications." (Analytical and Bioanalytical Chemistry, October 2009) "The title captures the ethos and content precisely. It brings basic chemistry into real life with examples that illustrate how chemical principals are inherent to bioanalytical procedures, making them accessible to readers with a background in life sciences." (Microbiology Today, July 2009)Table of ContentsPreface ix 1 Introduction to biomolecules 1 1.1 Overview of chemical and physical attributes of biomolecules 2 1.2 Classification of biomolecules 5 1.3 Features and characteristics of major biomolecules 6 1.4 Structure–function relationships 21 1.5 Significance of biomolecules in nature and science 21 2 Analysis and quantification of biomolecules 29 2.1 Importance of accurate determination of biomolecules 30 2.2 Major methods to detect and quantify biomolecules 33 2.3 Understanding mass, weight, volume and density 34 2.4 Understanding moles and molarity 38 2.5 Understanding solubility and dilutions 46 3 Transition metals in health and disease 53 3.1 Structure and characteristics of key transition metals 54 3.2 Importance of transition metals in physiological processes 60 3.3 Transition metals as mediators of disease processes 64 3.4 Therapeutic implications of transition metals 71 3.5 Determination of transition metals in nature 73 4 Ions, electrodes and biosensors 77 4.1 Impact of ions and oxidation–reduction reactions on physical and life processes 78 4.2 pH, biochemical buffers and physiological regulation 83 4.3 Chemical and physical sensors and biosensors 88 4.4 Important measurements using specific electrodes 91 4.5 Specific applications of biosensors in life and health sciences 93 5 Applications of spectroscopy 99 5.1 An introduction to spectroscopic techniques 100 5.2 Major types of spectroscopy 104 5.3 Principles and applications of ultraviolet/visible spectrophotometry 105 5.4 Principles and applications of infrared spectroscopy 113 5.5 Principles and applications of fluorescence spectrofluorimetry 118 6 Centrifugation and separation 123 6.1 Importance of separation methods to isolate biomolecules 124 6.2 Basic principles underlying centrifugation 126 6.3 Features and components of major types of centrifuge 129 6.4 Major centrifugation methods for bioanalysis 133 6.5 Flow cytometry: principles and applications of this core method of separation 136 7 Chromatography of biomolecules 141 7.1 Chromatography: a key method for separation and identification of biomolecules 142 7.2 Principles, types and modes of chromatography 143 7.3 Applications of chromatography in life and health sciences 153 7.4 High-performance liquid chromatography and advanced separation technologies 154 7.5 Additional state-of-the-art chromatography techniques 160 8 Principles and applications of electrophoresis 163 8.1 Principles and theory of electrophoretic separation 164 8.2 Major types of electrophoresis 165 8.3 Electrophoresis in practice 169 8.4 Applications of electrophoresis in life and health sciences 177 8.5 Advanced electrophoretic separation methodologies for genomics and proteomics 178 9 Applications of mass spectrometry 183 9.1 Major types of mass spectrometry 184 9.2 Understanding the core principles of mass spectrometry 186 9.3 Major types of mass spectrometry in practice 191 9.4 Mass spectrometry: a key tool for bioanalysis in life and health sciences 194 9.5 Mass spectrometry: future perspectives 196 10 Immunochemical techniques and biological tracers 199 10.1 Antibodies: the keys to immunochemical measurements 200 10.2 Analytical applications of biological tracers 208 10.3 Principles and applications of radioimmunoassay (RIA) 212 10.4 Principles and applications of enzyme-linked immunosorbent assay (ELISA) 216 10.5 Immunohistochemistry: an important diagnostic tool 221 11 Bioanalysis by magnetic resonance technologies: NMR and MRI 225 11.1 Nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) technologies: key tools for the life and health sciences 226 11.2 Principles of NMR and the importance of this biomolecular analytical technique 229 11.3 Established and emerging applications of NMR 235 11.4 Principles and uses of MRI 236 11.5 MRI as a principal diagnostic and research tool 241 12 Bioanalytical approaches from diagnostic, research and pharmaceutical perspectives 247 12.1 Clinical genomics, proteomics and metabolomics 248 12.2 Clinical diagnosis and screening 251 12.3 Research and development 254 12.4 Emerging pharmaceutical products 258 12.5 Future perspectives 260 13 Self-Assessment 265 Appendix 1: International system of units (SI) and common prefixes 273 Appendix 2: The periodic table of the elements 275 Appendix 3: Common solvents and biological buffers 277 Appendix 4: Answers to self-assessment questions 279 Index 281

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Book SynopsisThe title captures the ethos and content precisely. It brings basic chemistry into real life with examples that illustrate how chemical principals are inherent to bioanalytical procedures, making them accessible to readers with a background in life sciences. Microbiology Today, July 2009 a good overview of the basic strategies to tackle the complexity of analysis in biological environments and provides some illustrative examples for a better understanding of the theoretical concepts provides a fundamental introduction to the tools adopted by life and health scientists in the evolving and exciting new age of omics specifically applied to the diagnosis, treatment, cure and prevention of disease Analytical and Bioanalytical Chemistry, October 2009 Although chemistry is core to the life and health sciences, it is often viewed as a challenging subject. Conventional textbooks tend to present chemistry in a way that is not always easily accessible to stTrade Review"The authors have attempted to create a text that is more palatable for undergraduate cohorts, and they have succeeded well in this aim. … [A] useful introductory text on the fundamentals of bioanalytical chemistry." (Australian Biochemist, December 2009) "This book provides a good introduction to the bioanalysis world … .The authors have succeeded in using real-life examples to illustrate chemical principles and applications." (Analytical and Bioanalytical Chemistry, October 2009) "The title captures the ethos and content precisely. It brings basic chemistry into real life with examples that illustrate how chemical principals are inherent to bioanalytical procedures, making them accessible to readers with a background in life sciences." (Microbiology Today, July 2009)Table of ContentsPreface ix 1 Introduction to biomolecules 1 1.1 Overview of chemical and physical attributes of biomolecules 2 1.2 Classification of biomolecules 5 1.3 Features and characteristics of major biomolecules 6 1.4 Structure–function relationships 21 1.5 Significance of biomolecules in nature and science 21 2 Analysis and quantification of biomolecules 29 2.1 Importance of accurate determination of biomolecules 30 2.2 Major methods to detect and quantify biomolecules 33 2.3 Understanding mass, weight, volume and density 34 2.4 Understanding moles and molarity 38 2.5 Understanding solubility and dilutions 46 3 Transition metals in health and disease 53 3.1 Structure and characteristics of key transition metals 54 3.2 Importance of transition metals in physiological processes 60 3.3 Transition metals as mediators of disease processes 64 3.4 Therapeutic implications of transition metals 71 3.5 Determination of transition metals in nature 73 4 Ions, electrodes and biosensors 77 4.1 Impact of ions and oxidation–reduction reactions on physical and life processes 78 4.2 pH, biochemical buffers and physiological regulation 83 4.3 Chemical and physical sensors and biosensors 88 4.4 Important measurements using specific electrodes 91 4.5 Specific applications of biosensors in life and health sciences 93 5 Applications of spectroscopy 99 5.1 An introduction to spectroscopic techniques 100 5.2 Major types of spectroscopy 104 5.3 Principles and applications of ultraviolet/visible spectrophotometry 105 5.4 Principles and applications of infrared spectroscopy 113 5.5 Principles and applications of fluorescence spectrofluorimetry 118 6 Centrifugation and separation 123 6.1 Importance of separation methods to isolate biomolecules 124 6.2 Basic principles underlying centrifugation 126 6.3 Features and components of major types of centrifuge 129 6.4 Major centrifugation methods for bioanalysis 133 6.5 Flow cytometry: principles and applications of this core method of separation 136 7 Chromatography of biomolecules 141 7.1 Chromatography: a key method for separation and identification of biomolecules 142 7.2 Principles, types and modes of chromatography 143 7.3 Applications of chromatography in life and health sciences 153 7.4 High-performance liquid chromatography and advanced separation technologies 154 7.5 Additional state-of-the-art chromatography techniques 160 8 Principles and applications of electrophoresis 163 8.1 Principles and theory of electrophoretic separation 164 8.2 Major types of electrophoresis 165 8.3 Electrophoresis in practice 169 8.4 Applications of electrophoresis in life and health sciences 177 8.5 Advanced electrophoretic separation methodologies for genomics and proteomics 178 9 Applications of mass spectrometry 183 9.1 Major types of mass spectrometry 184 9.2 Understanding the core principles of mass spectrometry 186 9.3 Major types of mass spectrometry in practice 191 9.4 Mass spectrometry: a key tool for bioanalysis in life and health sciences 194 9.5 Mass spectrometry: future perspectives 196 10 Immunochemical techniques and biological tracers 199 10.1 Antibodies: the keys to immunochemical measurements 200 10.2 Analytical applications of biological tracers 208 10.3 Principles and applications of radioimmunoassay (RIA) 212 10.4 Principles and applications of enzyme-linked immunosorbent assay (ELISA) 216 10.5 Immunohistochemistry: an important diagnostic tool 221 11 Bioanalysis by magnetic resonance technologies: NMR and MRI 225 11.1 Nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) technologies: key tools for the life and health sciences 226 11.2 Principles of NMR and the importance of this biomolecular analytical technique 229 11.3 Established and emerging applications of NMR 235 11.4 Principles and uses of MRI 236 11.5 MRI as a principal diagnostic and research tool 241 12 Bioanalytical approaches from diagnostic, research and pharmaceutical perspectives 247 12.1 Clinical genomics, proteomics and metabolomics 248 12.2 Clinical diagnosis and screening 251 12.3 Research and development 254 12.4 Emerging pharmaceutical products 258 12.5 Future perspectives 260 13 Self-Assessment 265 Appendix 1: International system of units (SI) and common prefixes 273 Appendix 2: The periodic table of the elements 275 Appendix 3: Common solvents and biological buffers 277 Appendix 4: Answers to self-assessment questions 279 Index 281

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Book SynopsisA comprehensive, practical approach to three powerful methods of polymer analysis and characterization This book serves as a complete compendium of three important methods widely used for the characterization of synthetic and natural polymerslight scattering, size exclusion chromatography (SEC), and asymmetric flow field flow fractionation (A4F). Featuring numerous up-to-date examples of experimental results obtained by light scattering, SEC, and A4F measurements, Light Scattering, Size Exclusion Chromatography and Asymmetric Flow Field Flow Fractionation takes an all-in-one approach to deliver a complete and thorough explanation of the principles, theories, and instrumentation needed to characterize polymers from the viewpoint of their molar mass distribution, size, branching, and aggregation. This comprehensive resource: Is the only book gathering light scattering, size exclusion chromatography, and asymmetric flow field flow fractionation into a siTrade Review"The book is, essentially, quite readable and the abundance of figures will help the reader follow the discussions in the text. Most chapters, especially that on A4F, contain adequate references to the literature, including many to relatively recent publications." (Anal Bioanal Chem, 27 December 2011)Table of ContentsPreface. 1 Polymers. 1.1 Introduction. 1.2 Molecular Structure of Polymers. 1.2.1 Macromolecules in Dilute Solution. 1.3 Molar Mass Distribution. 1.3.1 Description of Molar Mass Distribution. 1.3.1.1 Distribution Functions. 1.3.1.2 Molar Mass Averages. 1.4 Methods for the Determination of Molar Mass. 1.4.1 Method of End Groups. 1.4.2 Osmometry. 1.4.2.1 Vapor Pressure Osmometry. 1.4.2.2 Membrane osmometry. 1.4.3 Dilute Solution Viscometry. 1.4.3.1 Properties of Mark-Houwink Exponent. 1.4.3.2 Molecular Size from Intrinsic Viscosity. 1.4.3.3 Dependence of Intrinsic Viscosity on Polymer Structure, Temperature and Solvent. 1.4.4 Matrix Assisted Laser Desorption Ionization Time-of-Flight Mass Spectrometry. 1.4.5 Analytical Ultracentrifugation. 1.5 Keynotes. 1.6 References. 2 Light Scattering. 2.1 Theory and Basic Principles. 2.2 Types of Light Scattering. 2.2.1 Static Light Scattering. 2.2.1.1 Particle Scattering Functions. 2.2.1.2 Light Scattering Formalisms. 2.2.1.3 Processing the Experimental Data. 2.2.2 Dynamic Light Scattering. 2.3 Light Scattering Instrumentation. 2.4 Specific Refractive Index Increment. 2.5 Light Scattering in Batch and Chromatography Mode. 2.6 Parameters Affecting Accuracy of Molar Mass Determined by Light Scattering. 2.7 Examples of Light Scattering Measurement in Batch Mode. 2.8 Keynotes. 2.9 References. 3 Size Exclusion Chromatography. 3.1 Introduction. 3.2 Separation Mechanisms. 3.2.1 Steric Exclusion. 3.2.2 Restricted Diffusion. 3.2.3 Separation by Flow. 3.2.4 Peak Broadening and Separation Efficiency. 3.2.5 Secondary Separation Mechanisms. 3.3 Instrumentation. 3.3.1 Solvents. 3.3.2 Columns and Column Packing. 3.3.3 Detectors. 3.3.3.1 UV Detector. 3.3.3.2 Refractive Index Detector. 3.3.3.3 Infrared Detector. 3.3.3.4 Evaporative Light Scattering Detector. 3.3.3.5 Viscosity Detector. 3.3.3.6 Light Scattering Detector. 3.3.3.7 Other Types of Detectors. 3.4 Column Calibration. 3.4.1 Universal Calibration. 3.4.2 Flow Marker. 3.5 SEC Measurements and Data Processing. 3.5.1 Sample Preparation. 3.5.1.1 Sample Derivatization. 3.5.2 Determination of Molar Mass and Molar Mass Distribution. 3.5.3 Reporting Results. 3.5.4 Characterization of Chemical Composition of Copolymers and Polymer Blends. 3.5.5 Characterization of Oligomers. 3.5.6 Influence of Separation Conditions. 3.5.7 Accuracy, Repeatability and Reproducibility of SEC Measurements. 3.6 Applications of SEC. 3.7 Keynotes. 3.8 References. 4 Combination of SEC and Light Scattering. 4.1 Introduction. 4.2 Data Collection and Processing. 4.2.1 Processing MALS Data. 4.2.1.1 Debye Fit Method. 4.2.1.2 Zimm Fit Method. 4.2.1.3 Berry fit Method. 4.2.1.4 Random Coil Fit Method. 4.2.1.5 Influence of Light Scattering Formalism on Molar Mass and RMS Radius. 4.2.2 Determination of Molar Mass and RMS Radius Averages and Distributions. 4.2.3 Chromatogram Processing. 4.2.4 Influence of Concentration and Second Virial Coefficient. 4.2.5 Repeatability and Reproducibility. 4.2.6 Accuracy of Results. 4.3 Applications of SEC-MALS. 4.3.1 Determination of Molar Mass Distribution. 4.3.2 Fast Determination of Molar Mass. 4.3.3 Characterization of Complex Polymers. 4.3.3.1 Branched Polymers. 4.3.3.2 Copolymers and Polymer Blends. 4.3.4 Conformation Plots. 4.3.5 Mark-Houwink Plots. 4.4 Keynotes. 4.5 References. 5 Asymmetric Flow Field Flow Fractionation. 5.1 Introduction. 5.2 Theory and Basic Principles. 5.2.1 Separation Mechanisms. 5.2.2 Resolution and Band Broadening. 5.3 Instrumentation. 5.4 Measurements and Data Processing. 5.4.1 Influence of Separation Conditions. 5.4.1.1 Isocratic and Gradient Experiments. 5.4.1.2 Overloading. 5.4.2 Practical Measurements. 5.5 A4F Applications. 5.6 Keynotes. 5.7 References. 6 Characterization of Branched Polymers. 6.1 Introduction. 6.2 Detection and Characterization of Branching. 6.2.1 SEC Elution Behavior of Branched Polymers. 6.2.2 Distribution of Branching. 6.2.3 Average Branching Ratios. 6.2.4 Other Methods for the Identification and Characterization of Branching. 6.3 Examples of Characterization of Branching. 6.4 Keynotes. 6.5 References. Symbols. Abbreviations. Index.

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Book Synopsis* Mass Spectrometry is a major tool to characterize, identify and detect hundreds of known and unknown drugs.Trade Review“Mass Spectrometry in Sports Drug Testing is an excellent textbook for anyone involved in the analytical characterization of illicit substances and abused drugs.” (Anal Bioanal Chem, 2011) Table of ContentsPreface. Acknowledgments. 1 History of Sports Drug Testing. 1.1 Historical Attempts of Artificial Performance Enhancement. 1.2 Background and Rationale of Doping Controls. 1.3 Early Detection Methods: Possibilities and Limitations of Assays Without Mass Spectrometry. 1.4 Introduction of Mass Spectrometry to Doping Control Analysis. References. 2. Mass Spectrometry and the List of Prohibited Substances and Methods of Doping. 2.1 Criteria for the Mass Spectrometric Identification of Prohibited Compounds. 2.2 Modern Mass Spectrometers in Doping Controls: Advantages and Disadvantages of Available Techniques. References. 3. Structure Characterization of Low Molecular Weight Target Analytes —Electron Ionization. 3.1 Stimulants. 3.2 Narcotics. 3.3 Anabolic Androgenic Steroids. 3.4 Selective Androgen Receptor Modulators (SARMs). 3.5 Diuretics. 3.6 β2-Agonists. 3.7 β-Receptor Blocking Agents. 3.8 Calcium-Channel Modulators (RYCALS). 3.9 Carbohydrate-Based Agents. References. 4. Structure Characterization of Low Molecular Weight Target Analytes: Electrospray Ionization. 4.1 Stimulants. 4.2 Narcotics. 4.3 Anabolic Androgenic Steroids. 4.4 Selective Androgen Receptor Modulators (SARMs). 4.5 Diuretics. 4.6 β2-Agonists. 4.7 Calcium-Channel Modulators (RYCALS). 4.8 Peroxisome-Proliferator Activated Receptor-δ (PPARδ) And Adenosine Monophosphate Activated Protein Kinase (AMPK) Agonists. 4.9 Hypoxia-Inducible Factor (HIF)-Stabilizers And Sirtuin Activators. 4.10 β-Receptor Blocking Agents. 4.11 Glucuronic Acid and Sulfate Conjugates of Target Analytes. References. 5. Structure Characterization of High Molecular Weight Target Analytes: Electrospray Ionization. 5.1 Human Chorionic Gonadotrophin (hCG). 5.2 Erythropoietins (EPO). 5.3 Synacthen. 5.4 Insulins. 5.5 Hemoglobin-Based Oxygen Carriers (HBOCs). 5.6 Human Growth Hormone (hGH). 5.7 Sermorelin (Geref). 5.8 Insulin-Like Growth Factor-1 (IGF-1). 5.9 Gonadorelin (LHRH). References. 6. Modern Mass Spectrometry-Based Analytical Assays. 6.1 GC-MS and Isotope Ratio Mass Spectrometry. 6.2 LC-MS/MS. References. 7. Limitations and Perspectives of Mass Spectrometry-Based Procedures in Doping Control Analysis. 7.1 Recombinant Biomolecules. 7.2 Unknown Compounds. 7.3 Profiling of Urine and/or Blood. 7.4 Alternative Specimens. References. Index.

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Book Synopsis* Provides a single source for readers interested in the development of analytical methods to measure antibiotic residues in food. * Topics include general issues related to analytical quality control and quality assurance, measurement uncertainty, screening and confirmatory methods.Table of ContentsPreface xv Acknowledgment xvii Editors xix Contributors xxi 1 Antibiotics: Groups and Properties 1 Philip Thomas Reeves 1.1 Introduction, 1 1.1.1 Identification, 1 1.1.2 Chemical Structure, 2 1.1.3 Molecular Formula, 2 1.1.4 Composition of the Substance, 2 1.1.5 pKa, 2 1.1.6 UV Absorbance, 3 1.1.7 Solubility, 3 1.1.8 Stability, 3 1.2 Antibiotic Groups and Properties, 3 1.2.1 Terminology, 3 1.2.2 Fundamental Concepts, 4 1.2.3 Pharmacokinetics of Antimicrobial Drugs, 4 1.2.4 Pharmacodynamics of Antimicrobial Drugs, 5 1.2.4.1 Spectrum of Activity, 5 1.2.4.2 Bactericidal and Bacteriostatic Activity, 6 1.2.4.3 Type of Killing Action, 6 1.2.4.4 Minimum Inhibitory Concentration and Minimum Bactericidal Concentration, 7 1.2.4.5 Mechanisms of Action, 7 1.2.5 Antimicrobial Drug Combinations, 7 1.2.6 Clinical Toxicities, 7 1.2.7 Dosage Forms, 8 1.2.8 Occupational Health and Safety Issues, 8 1.2.9 Environmental Issues, 8 1.3 Major Groups of Antibiotics, 8 1.3.1 Aminoglycosides, 8 1.3.2 ß-Lactams, 10 1.3.3 Quinoxalines, 18 1.3.4 Lincosamides, 20 1.3.5 Macrolides and Pleuromutilins, 21 1.3.6 Nitrofurans, 27 1.3.7 Nitroimidazoles, 28 1.3.8 Phenicols, 30 1.3.9 Polyether Antibiotics (Ionophores), 31 1.3.10 Polypeptides, Glycopeptides, and Streptogramins, 35 1.3.11 Phosphoglycolipids, 36 1.3.12 Quinolones, 36 1.3.13 Sulfonamides, 44 1.3.14 Tetracyclines, 45 1.4 Restricted and Prohibited Uses of Antimicrobial Agents in Food Animals, 52 1.5 Conclusions, 52 Acknowledgments, 53 References, 53 2 Pharmacokinetics, Distribution, Bioavailability, and Relationship to Antibiotic Residues 61 Peter Lees and Pierre-Louis Toutain 2.1 Introduction, 61 2.2 Principles of Pharmacokinetics, 61 2.2.1 Pharmacokinetic Parameters, 61 2.2.2 Regulatory Guidelines on Dosage Selection for Efficacy, 64 2.2.3 Residue Concentrations in Relation to Administered Dose, 64 2.2.4 Dosage and Residue Concentrations in Relation to Target Clinical Populations, 66 2.2.5 Single-Animal versus Herd Treatment and Establishment of Withholding Time (WhT), 66 2.2.6 Influence of Antimicrobial Drug (AMD) Physicochemical Properties on Residues and WhT, 67 2.3 Administration, Distribution, and Metabolism of Drug Classes, 67 2.3.1 Aminoglycosides and Aminocyclitols, 67 2.3.2 ß-Lactams: Penicillins and Cephalosporins, 69 2.3.3 Quinoxalines: Carbadox and Olaquindox, 71 2.3.4 Lincosamides and Pleuromutilins, 71 2.3.5 Macrolides, Triamilides, and Azalides, 72 2.3.6 Nitrofurans, 73 2.3.7 Nitroimidazoles, 73 2.3.8 Phenicols, 73 2.3.9 Polyether Antibiotic Ionophores, 74 2.3.10 Polypeptides, 75 2.3.11 Quinolones, 75 2.3.12 Sulfonamides and Diaminopyrimidines, 77 2.3.13 Polymyxins, 79 2.3.14 Tetracyclines, 79 2.4 Setting Guidelines for Residues by Regulatory Authorities, 81 2.5 Definition, Assessment, Characterization, Management, and Communication of Risk, 82 2.5.1 Introduction and Summary of Regulatory Requirements, 82 2.5.2 Risk Assessment, 84 2.5.2.1 Hazard Assessment, 88 2.5.2.2 Exposure Assessment, 89 2.5.3 Risk Characterization, 90 2.5.4 Risk Management, 91 2.5.4.1 Withholding Times, 91 2.5.4.2 Prediction of Withdholding Times from Plasma Pharmacokinetic Data, 93 2.5.4.3 International Trade, 93 2.5.5 Risk Communication, 94 2.6 Residue Violations: Their Significance and Prevention, 94 2.6.1 Roles of Regulatory and Non-regulatory Bodies, 94 2.6.2 Residue Detection Programs, 95 2.6.2.1 Monitoring Program, 96 2.6.2.2 Enforcement Programs, 96 2.6.2.3 Surveillance Programs, 97 2.6.2.4 Exploratory Programs, 97 2.6.2.5 Imported Food Animal Products, 97 2.6.2.6 Residue Testing in Milk, 97 2.7 Further Considerations, 98 2.7.1 Injection Site Residues and Flip-Flop Pharmacokinetics, 98 2.7.2 Bioequivalence and Residue Depletion Profiles, 100 2.7.3 Sales and Usage Data, 101 2.7.3.1 Sales of AMDs in the United Kingdom, 2003–2008, 101 2.7.3.2 Comparison of AMD Usage in Human and Veterinary Medicine in France, 1999–2005, 102 2.7.3.3 Global Animal Health Sales and Sales of AMDs for Bovine Respiratory Disease, 103 References, 104 3 Antibiotic Residues in Food and Drinking Water, and Food Safety Regulations 111 Kevin J. Greenlees, Lynn G. Friedlander, and Alistair Boxall 3.1 Introduction, 111 3.2 Residues in Food—Where is the Smoking Gun?, 111 3.3 How Allowable Residue Concentrations Are Determined, 113 3.3.1 Toxicology—Setting Concentrations Allowed in the Human Diet, 113 3.3.2 Setting Residue Concentrations for Substances Not Allowed in Food, 114 3.3.3 Setting Residue Concentrations Allowed in Food, 114 3.3.3.1 Tolerances, 115 3.3.3.2 Maximum Residue Limits, 116 3.3.4 International Harmonization, 117 3.4 Indirect Consumer Exposure to Antibiotics in the Natural Environment, 117 3.4.1 Transport to and Occurrence in Surface Waters and Groundwaters, 119 3.4.2 Uptake of Antibiotics into Crops, 119 3.4.3 Risks of Antibiotics in the Environment to Human Health, 120 3.5 Summary, 120 References, 121 4 Sample Preparation: Extraction and Clean-up 125 Alida A. M. (Linda) Stolker and Martin Danaher 4.1 Introduction, 125 4.2 Sample Selection and Pre-treatment, 126 4.3 Sample Extraction, 127 4.3.1 Target Marker Residue, 127 4.3.2 Stability of Biological Samples, 127 4.4 Extraction Techniques, 128 4.4.1 Liquid–Liquid Extraction, 128 4.4.2 Dilute and Shoot, 128 4.4.3 Liquid–Liquid Based Extraction Procedures, 129 4.4.3.1 QuEChERS, 129 4.4.3.2 Bipolarity Extraction, 129 4.4.4 Pressurized Liquid Extraction (Including Supercritical Fluid Extraction), 130 4.4.5 Solid Phase Extraction (SPE), 131 4.4.5.1 Conventional SPE, 131 4.4.5.2 Automated SPE, 132 4.4.6 Solid Phase Extraction-Based Techniques, 133 4.4.6.1 Dispersive SPE, 133 4.4.6.2 Matrix Solid Phase Dispersion, 134 4.4.6.3 Solid Phase Micro-extraction, 135 4.4.6.4 Micro-extraction by Packed Sorbent, 137 4.4.6.5 Stir-bar Sorptive Extraction, 137 4.4.6.6 Restricted-Access Materials, 138 4.4.7 Solid Phase Extraction-Based Selective Approaches, 138 4.4.7.1 Immunoaffinity Chromatography, 138 4.4.7.2 Molecularly Imprinted Polymers, 139 4.4.7.3 Aptamers, 140 4.4.8 Turbulent-Flow Chromatography, 140 4.4.9 Miscellaneous, 142 4.4.9.1 Ultrafiltration, 142 4.4.9.2 Microwave-Assisted Extraction, 142 4.4.9.3 Ultrasound-Assisted Extraction, 144 4.5 Final Remarks and Conclusions, 144 References, 146 5 Bioanalytical Screening Methods 153 Sara Stead and Jacques Stark 5.1 Introduction, 153 5.2 Microbial Inhibition Assays, 154 5.2.1 The History and Basic Principles of Microbial Inhibition Assays, 154 5.2.2 The Four-Plate Test and the New Dutch Kidney Test, 156 5.2.3 Commercial Microbial Inhibition Assays for Milk, 156 5.2.4 Commercial Microbial Inhibition Assays for Meat-, Egg-, and Honey-Based Foods, 159 5.2.5 Further Developments of Microbial Inhibition Assays and Future Prospects, 160 5.2.5.1 Sensitivity, 160 5.2.5.2 Test Duration, 161 5.2.5.3 Ease of Use, 161 5.2.5.4 Automation, 161 5.2.5.5 Pre-treatment of Samples, 162 5.2.5.6 Confirmation/Class-Specific Identification, 163 5.2.6 Conclusions Regarding Microbial Inhibition Assays, 164 5.3 Rapid Test Kits, 164 5.3.1 Basic Principles of Immunoassay Format Rapid Tests, 164 5.3.2 Lateral-Flow Immunoassays, 165 5.3.2.1 Sandwich Format, 166 5.3.2.2 Competitive Format, 166 5.3.3 Commercial Lateral-Flow Immunoassays for Milk, Animal Tissues, and Honey, 168 5.3.4 Receptor-Based Radioimmunoassay: Charm II System, 170 5.3.5 Basic Principles of Enzymatic Tests, 171 5.3.5.1 The Penzyme Milk Test, 171 5.3.5.2 The Delvo-X-PRESS, 172 5.3.6 Conclusions Regarding Rapid Test Kits, 174 5.4 Surface Plasmon Resonance (SPR) Biosensor Technology, 174 5.4.1 Basic Principles of SPR Biosensor, 174 5.4.2 Commercially Available SPR Biosensor Applications for Milk, Animal Tissues, Feed, and Honey, 175 5.4.3 Conclusions Regarding Surface Plasmon Resonance (SPR) Technology, 176 5.5 Enzyme-Linked Immunosorbent Assay (ELISA), 178 5.5.1 Basic Principles of ELISA, 178 5.5.2 Automated ELISA Systems, 178 5.5.3 Alternative Immunoassay Formats, 179 5.5.4 Commercially Available ELISA Kits for Antibiotic Residues, 179 5.5.5 Conclusions Regarding ELISA, 180 5.6 General Considerations Concerning the Performance Criteria for Screening Assays, 181 5.7 Overall Conclusions on Bioanalytical Screening Assays, 181 Abbreviations, 182 References, 182 6 Chemical Analysis: Quantitative and Confirmatory Methods 187 Jian Wang and Sherri B. Turnipseed 6.1 Introduction, 187 6.2 Single-Class and Multi-class Methods, 187 6.3 Chromatographic Separation, 195 6.3.1 Chromatographic Parameters, 195 6.3.2 Mobile Phase, 195 6.3.3 Conventional Liquid Chromatography, 196 6.3.3.1 Reversed Phase Chromatography, 196 6.3.3.2 Ion-Pairing Chromatography, 196 6.3.3.3 Hydrophilic Interaction Liquid Chromatography, 197 6.3.4 Ultra-High-Performance or Ultra-High-Pressure Liquid Chromatography, 198 6.4 Mass Spectrometry, 200 6.4.1 Ionization and Interfaces, 200 6.4.2 Matrix Effects, 202 6.4.3 Mass Spectrometers, 205 6.4.3.1 Single Quadrupole, 205 6.4.3.2 Triple Quadrupole, 206 6.4.3.3 Quadrupole Ion Trap, 208 6.4.3.4 Linear Ion Trap, 209 6.4.3.5 Time-of-Flight, 210 6.4.3.6 Orbitrap, 212 6.4.4 Other Advanced Mass Spectrometric Techniques, 214 6.4.4.1 Ion Mobility Spectrometry, 214 6.4.4.2 Ambient Mass Spectrometry, 214 6.4.4.3 Other Recently Developed Desorption Ionization Techniques, 216 6.4.5 Fragmentation, 216 6.4.6 Mass Spectral Library, 216 Acknowledgment, 219 Abbreviations, 220 References, 220 7 Single-Residue Quantitative and Confirmatory Methods 227 Jonathan A. Tarbin, Ross A. Potter, Alida A. M. (Linda) Stolker, and Bjorn Berendsen 7.1 Introduction, 227 7.2 Carbadox and Olaquindox, 227 7.2.1 Background, 227 7.2.2 Analysis, 229 7.2.3 Conclusions, 230 7.3 Ceftiofur and Desfuroylceftiofur, 230 7.3.1 Background, 230 7.3.2 Analysis Using Deconjugation, 231 7.3.3 Analysis of Individual Metabolites, 232 7.3.4 Analysis after Alkaline Hydrolysis, 232 7.3.5 Conclusions, 233 7.4 Chloramphenicol, 233 7.4.1 Background, 233 7.4.2 Analysis by GC-MS and LC-MS, 233 7.4.3 An Investigation into the Possible Natural Occurrence of CAP, 235 7.4.4 Analysis of CAP in Herbs and Grass (Feed) Using LC-MS, 236 7.4.5 Conclusions, 236 7.5 Nitrofurans, 236 7.5.1 Background, 236 7.5.2 Analysis of Nitrofurans, 236 7.5.3 Identification of Nitrofuran Metabolites, 237 7.5.4 Conclusions, 239 7.6 Nitroimidazoles and Their Metabolites, 239 7.6.1 Background, 239 7.6.2 Analysis, 240 7.6.3 Conclusions, 241 7.7 Sulfonamides and Their N4-Acetyl Metabolites, 241 7.7.1 Background, 241 7.7.2 N4-Acetyl Metabolites, 242 7.7.3 Analysis, 243 7.7.4 Conclusions, 244 7.8 Tetracyclines and Their 4-Epimers, 244 7.8.1 Background, 244 7.8.2 Analysis, 245 7.8.3 Conclusions, 246 7.9 Miscellaneous, 246 7.9.1 Aminoglycosides, 246 7.9.2 Compounds with Marker Residues Requiring Chemical Conversion, 247 7.9.2.1 Florfenicol, 247 7.9.3 Miscellaneous Analytical Issues, 250 7.9.3.1 Lincosamides, 250 7.9.3.2 Enrofloxacin, 251 7.9.4 Gaps in Analytical Coverage, 251 7.10 Summary, 252 Abbreviations, 253 References, 254 8 Method Development and Method Validation 263 Jack F. Kay and James D. MacNeil 8.1 Introduction, 263 8.2 Sources of Guidance on Method Validation, 263 8.2.1 Organizations that Are Sources of Guidance on Method Validation, 264 8.2.1.1 International Union of Pure and Applied Chemistry (IUPAC), 264 8.2.1.2 AOAC International, 264 8.2.1.3 International Standards Organization (ISO), 264 8.2.1.4 Eurachem, 265 8.2.1.5 VICH, 265 8.2.1.6 Codex Alimentarius Commission (CAC), 265 8.2.1.7 Joint FAO/WHO Expert Committee on Food Additives (JECFA), 265 8.2.1.8 European Commission, 266 8.2.1.9 US Food and Drug Administration (USFDA), 266 8.3 The Evolution of Approaches to Method Validation for Veterinary Drug Residues in Foods, 266 8.3.1 Evolution of “Single-Laboratory Validation” and the “Criteria Approach,” 266 8.3.2 The Vienna Consultation, 267 8.3.3 The Budapest Workshop and the Miskolc Consultation, 267 8.3.4 Codex Alimentarius Commission Guidelines, 267 8.4 Method Performance Characteristics, 268 8.5 Components of Method Development, 268 8.5.1 Identification of “Fitness for Purpose” of an Analytical Method, 269 8.5.2 Screening versus Confirmation, 270 8.5.3 Purity of Analytical Standards, 270 8.5.4 Analyte Stability in Solution, 271 8.5.5 Planning the Method Development, 271 8.5.6 Analyte Stability during Sample Processing (Analysis), 272 8.5.7 Analyte Stability during Sample Storage, 272 8.5.8 Ruggedness Testing (Robustness), 273 8.5.9 Critical Control Points, 274 8.6 Components of Method Validation, 274 8.6.1 Understanding the Requirements, 274 8.6.2 Management of the Method Validation Process, 274 8.6.3 Experimental Design, 275 8.7 Performance Characteristics Assessed during Method Development and Confirmed during Method Validation for Quantitative Methods, 275 8.7.1 Calibration Curve and Analytical Range, 275 8.7.2 Sensitivity, 277 8.7.3 Selectivity, 277 8.7.3.1 Definitions, 277 8.7.3.2 Suggested Selectivity Experiments, 278 8.7.3.3 Additional Selectivity Considerations for Mass Spectral Detection, 279 8.7.4 Accuracy, 281 8.7.5 Recovery, 282 8.7.6 Precision, 283 8.7.7 Experimental Determination of Recovery and Precision, 283 8.7.7.1 Choice of Experimental Design, 283 8.7.7.2 Matrix Issues in Calibration, 286 8.7.8 Measurement Uncertainty (MU), 287 8.7.9 Limits of Detection and Limits of Quantification, 287 8.7.10 Decision Limit (CCa) and Detection Capability (CCß), 289 8.8 Significant Figures, 289 8.9 Final Thoughts, 289 References, 289 9 Measurement Uncertainty 295 Jian Wang, Andrew Cannavan, Leslie Dickson, and Rick Fedeniuk 9.1 Introduction, 295 9.2 General Principles and Approaches, 295 9.3 Worked Examples, 297 9.3.1 EURACHEM/CITAC Approach, 297 9.3.2 Measurement Uncertainty Based on the Barwick–Ellison Approach Using In-House Validation Data, 302 9.3.3 Measurement Uncertainty Based on Nested Experimental Design Using In-House Validation Data, 305 9.3.3.1 Recovery (R) and Its Uncertainty [u(R)], 306 9.3.3.2 Precision and Its Uncertainty [u(P )], 312 9.3.3.3 Combined Standard Uncertainty and Expanded Uncertainty, 312 9.3.4 Measurement Uncertainty Based on Inter-laboratory Study Data, 312 9.3.5 Measurement Uncertainty Based on Proficiency Test Data, 317 9.3.6 Measurement Uncertainty Based on Quality Control Data and Certified Reference Materials, 319 9.3.6.1 Scenario A: Use of Certified Reference Material for Estimation of Uncertainty, 320 9.3.6.2 Scenario B. Use of Incurred Residue Samples and Fortified Blank Samples for Estimation of Uncertainty, 324 References, 325 10 Quality Assurance and Quality Control 327 Andrew Cannavan, Jack F. Kay, and Bruno Le Bizec 10.1 Introduction, 327 10.1.1 Quality—What Is It?, 327 10.1.2 Why Implement a Quality System?, 328 10.1.3 Quality System Requirements for the Laboratory, 328 10.2 Quality Management, 329 10.2.1 Total Quality Management, 329 10.2.2 Organizational Elements of a Quality System, 330 10.2.2.1 Process Management, 330 10.2.2.2 The Quality Manual, 330 10.2.2.3 Documentation, 330 10.2.3 Technical Elements of a Quality System, 331 10.3 Conformity Assessment, 331 10.3.1 Audits and Inspections, 331 10.3.2 Certification and Accreditation, 332 10.3.3 Advantages of Accreditation, 332 10.3.4 Requirements under Codex Guidelines and EU Legislation, 332 10.4 Guidelines and Standards, 333 10.4.1 Codex Alimentarius, 333 10.4.2 Guidelines for the Design and Implementation of a National Regulatory Food Safety Assurance Program Associated with the Use of Veterinary Drugs in Food-Producing Animals, 334 10.4.3 ISO/IEC 17025:2005, 334 10.4.4 Method Validation and Quality Control Procedures for Pesticide Residue Analysis in Food and Feed (Document SANCO/10684/2009), 335 10.4.5 EURACHEM/CITAC Guide to Quality in Analytical Chemistry, 335 10.4.6 OECD Good Laboratory Practice, 336 10.5 Quality Control in the Laboratory, 336 10.5.1 Sample Reception, Storage, and Traceability throughout the Analytical Process, 336 10.5.1.1 Sample Reception, 336 10.5.1.2 Sample Acceptance, 337 10.5.1.3 Sample Identification, 337 10.5.1.4 Sample Storage (Pre-analysis), 337 10.5.1.5 Reporting, 338 10.5.1.6 Sample Documentation, 338 10.5.1.7 Sample Storage (Post-reporting), 338 10.5.2 Analytical Method Requirements, 338 10.5.2.1 Introduction, 338 10.5.2.2 Screening Methods, 338 10.5.2.3 Confirmatory Methods, 339 10.5.2.4 Decision Limit, Detection Capability, Performance Limit, and Sample Compliance, 339 10.5.3 Analytical Standards and Certified Reference Materials, 339 10.5.3.1 Introduction, 339 10.5.3.2 Certified Reference Materials (CRMs), 340 10.5.3.3 Blank Samples, 341 10.5.3.4 Utilization of CRMs and Control Samples, 341 10.5.4 Proficiency Testing (PT), 341 10.5.5 Control of Instruments and Methods in the Laboratory, 342 10.6 Conclusion, 344 References, 344 Index 347

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Book SynopsisThe vast majority of modern criminal investigations involve some element of digital evidence, from mobile phones, computers, CCTV and other devices. Digital Forensics: Digital Evidence in Criminal Investigations provides the reader with a better understanding of how digital evidence complements traditional scientific evidence and examines how it can be used more effectively and efficiently in a range of investigations. Taking a new approach to the topic, this book presents digital evidence as an adjunct to other types of evidence and discusses how it can be deployed effectively in support of investigations. The book provides investigators/SSMs/other managers with sufficient contextual and technical information to be able to make more effective use of digital evidence sources in support of a range of investigations. In particular, it considers the roles played by digital devices in society and hence in criminal activities. From this, it examines the role and nature of evidentTrade Review?This book presents digital evidence as an adjunct to other types of evidence and discusses how it can be deployed effectively in support of investigations.? (Reviews, May 2009)Table of ContentsPreface. Acknowledgments. 1. Introduction. 1.1 Key developments. 1.2 Digital Devices in Society. 1.3 Technology and Culture. 1.4 Comment. 2. Evidential Potential of Digital Devices. 2.1 Closed vs. Open Systems. 2.2 Evaluating Digital Evidence Potential. 3. Device Handling. 3.1 Seizure Issues. 3.2 Device Identification. 3.3 Networked Devices. 3.4 Contamination. 4. Examination Principles. 4.1 Previewing. 4.2 Imaging. 4.3 Continuity and Hashing. 4.4 Evidence locations. 5. Evidence Creation. 5.1 A 7-element security model. 5.2 A developmental model of digital systems. 5.3 Knowing. 5.4 Unknowing. 5.5 Audit and Logs. 6. Evidence Interpretation. 6.1 Data Content. 6.2 Data Context. 7. Internet Activity. 7.1 A little bit of history. 7.2 The ISO/OSI model. 7.3 The Internet Protocol Suite. 7.4 DNS. 7.5 Internet Applications. 8. Mobile Devices. 8.1 Mobile Phones & PDAs. 8.2 GPS. 8.3 Other Personal Technology. 9. Intelligence. 9.1 Device usage. 9.2 Profiling and Cyberprofiling. 9.3 Evaluating Online Crime: Automating the Model. 9.4 Application of the formula to Case Studies. 9.5 From success estimates to profiling. 9.6 Comments. 10. Case Studies and Examples. 10.1 Introduction. 10.2 Copyright Violation. 10.3 Missing person and Murder. 10.4 The view of a defence witness. A The "Aircraft Carrier" PC. B Additional Resources. C SIM card data report. Index.

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Book SynopsisThe vast majority of modern criminal investigations involve some element of digital evidence, from mobile phones, computers, CCTV and other devices. Digital Forensics: Digital Evidence in Criminal Investigations provides the reader with a better understanding of how digital evidence complements traditional scientific evidence and examines how it can be used more effectively and efficiently in a range of investigations. Taking a new approach to the topic, this book presents digital evidence as an adjunct to other types of evidence and discusses how it can be deployed effectively in support of investigations. The book provides investigators/SSMs/other managers with sufficient contextual and technical information to be able to make more effective use of digital evidence sources in support of a range of investigations. In particular, it considers the roles played by digital devices in society and hence in criminal activities. From this, it examines the role and nature of evidentTrade Review?This book presents digital evidence as an adjunct to other types of evidence and discusses how it can be deployed effectively in support of investigations.? (Reviews, May 2009)Table of ContentsPreface vii Acknowledgments xi List of Tables xii List of Figures xiii 1 Introduction 1 1.1 Key developments 1 1.2 Digital devices in society 5 1.3 Technology and culture 6 1.4 Comment 7 2 Evidential Potential of Digital Devices 9 2.1 Closed vs. open systems 10 2.2 Evaluating digital evidence potential 17 3 Device Handling 19 3.1 Seizure issues 21 3.2 Device identification 31 3.3 Networked devices 36 3.4 Contamination 40 4 Examination Principles 43 4.1 Previewing 43 4.2 Imaging 47 4.3 Continuity and hashing 48 4.4 Evidence locations 49 5 Evidence Creation 55 5.1 A seven-element security model 56 5.2 A developmental model of digital systems 60 5.3 Knowing 61 5.4 Unknowing 63 5.5 Audit and logs 68 6 Evidence Interpretation 69 6.1 Data content 69 6.2 Data context 83 7 Internet Activity 85 7.1 A little bit of history 85 7.2 The ISO/OSI model 86 7.3 The internet protocol suite 90 7.4 DNS 94 7.5 Internet applications 96 8 Mobile Devices 109 8.1 Mobile phones and PDAs 109 8.2 GPS 116 8.3 Other personal technology 118 9 Intelligence 119 9.1 Device usage 119 9.2 Profiling and cyberprofiling 121 9.3 Evaluating online crime: automating the model 124 9.4 Application of the formula to case studies 126 9.5 From success estimates to profiling 129 9.6 Comments 129 10 Case Studies and Examples 131 10.1 Introduction 131 10.2 Copyright violation 131 10.3 Missing person and murder 133 10.4 The view of a defence witness 137 Appendix A The “Aircraft Carrier” PC 141 Appendix B Additional Resources 145 B.1 Hard disc and storage laboratory tools 145 B.2 Mobile phone/PDA tools 146 B.3 Live CDs 146 B.4 Recommended reading 146 Appendix C SIM Card Data Report 149 References 157 Index 161

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Book SynopsisThis volume was commissioned by the International Union of Crystallography (IUCr) in recognition of the extraordinary contributions that knowledge of macromolecular structure has made, and will make, to the analysis of biological systems, from enzyme catalysis to the workings of a whole cell, and to the growing field of structural genomics.Table of ContentsPreface (M.G. Rossmann and E. Arnold). PART 1 INTRODUCTION. 1.1 Overview (E. Arnold and M.G. Rossmann). 1.2 Historical Background (M.G. Rossmann). 1.3 Macromolecular Crystallography and Medicine (W.G.J. Hol and C.L.M.J.Verlinde). 1.4 Perspectives for the Future. PART 2 BASIC CRYSTALLOGRAPHY. 2.1 Introduction to Basic Crystallography (J. Drenth). PART 3 TECHNIQUES OF MOLECULAR BIOLOGY. 3.1 Preparing Recombinant Proteins for X-Ray Crystallography (S.H. Hughes and A.M. Stock). PART 4 CRYSTALLIZATION. 4.1 General Methods (R. Giegé and A. McPherson). 4.2 Crystallization of Membrane Proteins (H. Michel). 4.3 Application of Protein Engineering to Improve Crystal Properties (D.R. Davies and A. Burgess Hickman). PART 5 CRYSTAL PROPERTIES AND HANDLING. 5.1 Crystal Morphology, Optical Properties of Crystals and Crystal Mounting (H.L. Carrell and J.P. Glusker). 5.2 Crystal-Density Measurements (E.M. Westbrook). PART 6 RADIATION SOURCES AND OPTICS. 6.1 X-Ray Sources (U.W. Arndt). 6.2 Neutron Sources (B.P. Schoenborn and R. Knott). PART 7 X-RAY DETECTORS. 7.1 Comparison of X-Ray Detectors (S.M. Gruner, E.F. Eikenberry and M.W. Tate). 7.2 CCD Detectors (M.W. Tate, E.F. Eikenberry and S.M. Gruner). PART 8 SYNCHROTRON CRYSTALLOGRAPHY. 8.1 Synchrotron-Radiation Instrumentation, Methods and Scientific Utilization (J.R. Helliwell). 8.2 Laue Crystallography: Time-Resolved Studies (K. Moffat). PART 9 MONOCHROMATIC DATA COLLECTION. 9.1 Principles of Monochromatic Data Collection (Z. Dauter and K.S. Wilson). PART 10 CRYOCRYSTALLOGRAPHY. 10.1 Introduction to Cryocrystallography (H. Hope). 10.2 Cryocrystallography Techniques and Devices (D.W. Rodgers). PART 11 DATA PROCESSING. 11.1 Automatic Indexing of Oscillation Images (M.G. Rossmann). 11.2 Integration of Macromolecular Diffraction Data (A.G.W. Leslie). 11.3 Integration, Scaling, Space-Group Assignment and Post Refinement (W. Kabsch). 11.4 DENZO and SCALEPACK (Z. Otwinowski and W. Minor). 11.5 The Use of Partially Recorded Reflections for Post Refinement, Scaling and Averaging X-Ray Diffraction Data (C.G. van Beek, R Bolotovsky and M.G. Rossmann). PART 12 ISOMORPHOUS REPLACEMENT. 12.1 The Preparation of Heavy-Atom Derivatives of Protein Crystals for Use in Multiple Isomorphous Replacement and Anomalous Scattering (D. Carvin, S.A. Islam, M.J.E. Sternberg and T.L. Blundell). 12.2 Locating Heavy-Atom Sites (M.T. Stubbs and R. Huber). PART 13 MOLECULAR REPLACEMENT. 13.1 Noncrystallographic Symmetry (D.M. Blow). 13.2 Rotation Functions (J. Navaza). 13.3 Translation Functions (L. Tong). 13.4 Noncrystallographic Symmetry Averaging of Electron Density for Molecular-Replacement Phase Refinement and Extension (M.G. Rossmann and E. Arnold). PART 14 ANOMALOUS DISPERSION. 14.1 Heavy-Atom Location and Phase Determination with Single-Wavelength Diffraction Data (B.W. Matthews). 14.2 MAD and MIR. PART 15 DENSITY MODIFICATION AND PHASE COMBINATION. 15.1 Phase Improvement in Iterative Density Modification (K.Y.J. Zhang, K.D. Cowtan and P. Main). 15.2 Model Phases: Probabilities, Bias and Maps (R.J. Read). PART 16 DIRECT METHODS. 16.1 Ab Initio Phasing (G.M. Sheldrick, H.A. Hauptman, C.M. Weeks, R. Miller and I Usón). 16.2 The Maximum-Entropy Method (G. Bricogne). PART 17 MODEL BUILDING AND COMPUTER GRAPHICS. 17.1 Around O (G.J. Kleywegt, J.-Y. Zou, M. Kjeldgaard and T.A. Jones). 17.2 Molecular Graphics and Animation (A.J. Olson). PART 18 REFINEMENT. 18.1 Introduction to Refinement (L.F. Ten Eyck and K.D. Watenpaugh). 18.2 Enhanced Macromolecular Refinement by Simulated Annealing (A.T. Brunger, P.D. Admas and L.M. Rice). 18.3 Structure Quality and Target Parameters (R.A. Engh and R. Huber). 18.4 Refinement at Atomic Resolution (Z. Dauter, G.N. Murshudov and K.S. Wilson). 18.5 Coordinate Uncertainty (D.W.J. Cruickshank). PART 19 OTHER EXPERIMENTAL TECHNIQUES. 19.1 Neutron Crystallography: Methods and Information Content (A.A. Kossiakoff). 19.2 Electron Diffraction of Protein Crystals (W. Chiu). 19.3 Small-Angle X-Ray Scattering (H. Tsuruta and J.E. Johnson). 19.4 Small-Angle Neutron Scattering (D.M. Engelman and P.B. Moore). 19.5 Fibre Diffraction (R. Chandrasekaran and G. Stubbs). 19.6 Electron Cryomicroscopy (T.S. Baker and R. Henderson). 19.7 Nuclear Magnetic Resonance (NMR) Spectroscopy (K. Wüthrich). PART 20 ENERGY CALCULATIONS AND MOLECULAR DYNAMICS. 20.1 Molecular-Dynamics Simulation of Protein Crystals: Convergence of Molecular Properties of Ubiquitin (U. Stocker and W.F. van Gunsteren). 20.2 Molecular-Dynamics Simulations of Biological Macromolecules (C.B. Post and V.M. Dadarlat). PART 21 STRUCTURE VALIDATION. 21.1 Validation of Protein Crystal Structures (G.J. Kleywegt). 21.2 Assessing the Quality of Macromolecular Structures (S.J. Wodak, A.A. Vagin, J. Richelle, U. Das, J. Pontius and H.M. Berman). 21.3 Detection of Errors in Protein Models (O. Dym, D. Eisenberg, and T.O. Yeates). References. PART 22 MOLECULARY GEOMETRY AND FEATURES. 22.1 Protein Surfaces and Volumes: Measurement and Use. 22.2 Hydrogen Bonding in Biological Macromolecules (E.N. Baker). 22.3 Electrostatic Interactions in Proteins (K.A. Sharp). 22.4 The Relevance of the Cambridge Structural Database in Protein Crystallography (F.H. Allen, J.C. Cole and M.L. Verdonk). PART 23 STRUCTURAL ANALYSIS AND CLASSIFICATION. 23.1 Protein Folds and Motifs: Representation, Comparison and Classification. 23.2 Protein-Ligand Interactions (A.E. Hodel and F.A. Quiocho). 23.3 Nucleic Acids (R.E. Dickerson). 23.4 Solvent Structure (C. Mattos and D. Ringe). PART 24 CRYSTALLOGRAPHIC DATABASES. 24.1 The Protein Data Bank at Brookhaven (J.L. Sussman, D. Lin, J. Jiang, N.O. Manning, J. Prilusky and E.E. Abola). 24.2 The Nucleic Acid Database (NDB) (H.M. Berman, Z. Feng, B. Schneider, J. Westbrook and C. Zardecki). 24.3 The Cambridge Structural Database (CSD) (F.H. Allen and V.J. Hoy). 24.4 The Biological Macromolecule Crystallization Database (G.L. Gilliland, M. Tung and J.E. Ladner). 24.5 The Protein Data Bank, 1999- (H.M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T.N. Bhat, H. Weissig, I.N. Shindyalov and P.E. Bourne). PART 25 MACROMOLECULAR CRYSTALLOGRAPHY PROGRAMS. 25.1 Survey of Programs for Crystal Structure Determination and Analysis of Macromolecules (J. Ding and E. Arnold). 25.2 Programs and Program Systems in Wide Use. PART 26 A HISTORICAL PERSPECTIVE. 26.1 How the Structure of Lysozyme was Actually Determined (C.C.F. Blake, R.H. Fenn, L.N. Johnson, D.F. Koenig, G.A. Mair, A.C.T. North, J.W.H. Oldham, D.C. Phillips, R.J. Poljak, V.R. Sarma and C.A. Vernon). Author Index. Subject Index.

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Book SynopsisThis book describes nerve agents and vesicants, their decomposition and their degradation products' chemistry as well as their toxicity including a list of detection techniques of nerve agents and their degradation products.Trade Review“The strength of the book “Analysis of chemical warfare degradation products” is that it gives a short introduction to CWAs in general and provides the reader with a large number of analytical examples.” (Anal Bioanal Chem, 21 February 2012)Table of ContentsPreface. 1 Historical Milieu. 1.1 Organophosphorus Nerve Agents. 1.2 Blister Agents. 1.3 Sternutator Agents. 1.4 Chemical Weapons Convention (CWC). 1.4.1 Schedule of Chemicals. 1.4.2 Destruction of Chemical Weapons. References. 2 Toxicity of Chemical Warfare Agents and their Degradation Products. 2.1 Organophosphorus Nerve Agent Toxicity. 2.1.1 Toxicity Mechanism – Acetylcholinesterase Inhibition. 2.1.2 Exposure. 2.1.3 Response, Treatment and Prevention. 2.2 Toxicity of Nerve Agent Degradation Products. 2.2.1 Toxicity of GA (Tabun) Degradation Products. 2.2.2 Toxicity of GB (Sarin) Degradation Products. 2.2.3 Toxicity of GD (Soman) Degradation Products. 2.2.4 Toxicity of GF (Cyclosarin) Degradation Products. 2.2.5 Toxicity of VX Degradation Products. 2.3 Toxicity of Blister Agents. 2.4 Toxicity of Sternutator Agents. 2.4.1 Toxicity of Degradation Products of Sternutator Agents. References. 3 Analysis of Chemical Warfare Agents. 3.1 Introduction. 3.2 Minimally Invasive Detection Techniques. 3.3 Separation and Detection Techniques. 3.3.1 Capillary Electrophoresis. 3.3.2 Ion Mobility Spectrometry. 3.3.3 Gas Chromatography (GC)/Gas Chromatography-Mass Spectrometry (GC-MS). 3.3.4 Liquid Chromatography (LC)/Liquid Chromatography-Mass Spectrometry (LC-MS). 3.3.5 Desorption Electrospray Ionization and Direct Analysis in Real Time Mass Spectrometry. References. 4 Chemical Warfare Agent Degradation Products. 4.1 Analysis of Nerve Agent Degradation Products. 4.1.1 Sample Preparation. 4.1.2 Liquid–Liquid Extraction (Pre-concentration). 4.1.3 Solid Phase Extraction (SPE). 4.1.4 Solid Phase Microextraction (SPME). 4.1.5 Stir Bar Sorptive Extraction (SBSE). 4.1.6 Derivatization. 4.2 Analytical Techniques. 4.2.1 Gas Chromatography (GC). 4.2.2 Liquid Chromatography (LC). 4.2.3 Elemental Speciation. 4.2.4 Ion Mobility. 4.2.5 Capillary Electrophoresis. 4.3 Analysis of Sulfur Mustard Degradation Products. 4.4 Analysis of Sternutator Degradation Products. References. Appendix. Index.

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Book SynopsisIn this revised and updated edition of his successful reference, Jungreis shares his expertise with readers to explore the contemporary utilization of simple spot and screening tests in clinical forensic, geochemical, and environmental applications.Table of ContentsTechniques. Application of Spot Tests in Clinical Analysis. Forensic Application of Spot Test Analysis. Application of Spot Test Analysis in Geochemistry. Application of Spot Tests in Air Pollution Control. Water Quality Screening. Rapid Screening Tests of Soils and Plant Tissues. Rapid Screening Tests for Food Adulteration and Food Composition. Index.

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Book SynopsisHigh performance capillary electrophoresis (HPCE) is a rapidly developing technology for separating and analyzing chemical compounds. The rapid developments in the field and the large number of journal publications have made it increasingly difficult to find essential and practical knowledge of HPCE easily.Table of ContentsTHEORY AND MODES OF HPCE. Capillary Electrophoresis: Overview and Perspective (B. Karger). Theory of Capillary Zone Electrophoresis (E. Kenndler). Micellar Electrokinetic Chromatography (M. Khaledi). Band Broadening in Micellar Electrokinetic Chromatography (J. Davis). Capillary Gel Electrophoresis (P. Shieh, et al.). Capillary Isoelectric Focusing (J. Wiktorowicz). Capillary Isotachophoresis (L. Kivánková & P. Boek). Capillary Electrochromatography (K. Kelly & M. Khaledi). DETECTION SYSTEMS IN HPCE. Capillary Electrophoretic Detectors Based on Light (L. Cruz, et al.). Electrochemical Detection in High-Performance Capillary Electrophoresis (B. Bryant, et al.). Indirect Detection in Capillary Electrophoresis (H. Poppe & X. Xu). High-Performance Capillary Electrophoresis-Mass Spectrometry (K. Tomer, et al.). OPERATIONAL ASPECTS AND SPECIAL TECHNIQUES IN HPCE. Sample Introduction and Stacking (R. Chien). Coated Capillaries in High-Performance Capillary Electrophoresis (G. Schomburg). Nonaqueous Capillary Electrophoresis (J. Miller & M. Khaledi). Method Validation in Capillary Electrophoresis (K. Altria). Two-Dimensional Separations in High-Performance Capillary Electrophoresis (T. Hooker, et al.). Microfabricated Chemical Separation Devices (S. Jacobson & J. Ramsey). APPLICATIONS OF HPCE. Peptides Analysis by Capillary Electrophoresis: Methods Development and Optimization, Sensitivity Enhancement Strategies, and Applications (G. McLaughlin, et al.). Capillary Electrophoresis of Proteins (F. Regnier & S. Lin). Capillary Electrophoresis of Carbohydrates (M. Novotny). DNA Sequencing by Multiplexed Capillary Electrophoresis (E. Yeung & Q. Li). Chiral Separations by Capillary Electrophoresis (F. Wang & M. Khaledi). Capillary Electrophoresis of Inorganic Ions (J. Mazzeo). The Analysis of Pharmaceuticals by Capillary Electrophoresis (K. Altria). On-Line Immunoaffinity Capillary Electrophoresis for the Determination of Analytes Derived From Biological Fluids (N. Guzman, et al.). Microbioanalysis Using On-Line Microreactors-Capillary Electrophoresis Systems (L. Licklider & W. Kuhr). Electrophoretically Mediated Microanalysis (B. Harmon & F. Regnier). PHYSICOCHEMICAL STUDIES. Affinity Capillary Electrophoresis: Using Capillary Electrophoresis to Study The Interactions of Proteins with Ligands (J. Gao, et al.). Determination of Physicochemical Parameters by Capillary Electrophoresis (P. Righetti). Applications of Micellar Electrokinetic Chromatography in Quantitative Structure-Activity Relationship Studies: Estimation of LogP_ow and Bioactivity (M. Khaledi). Index.

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Book SynopsisInternationally renowned authors review recent advances in the understanding of the structure and reactivity of transition metal hydrides. This up-to-date analysis of transition metal hydrides examines the recent upsurge of experimental studies devoted to transition metal hydrides in both gas phase and solution.

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Book SynopsisNew trends in solid-phase extraction for analytical use-a practical introduction. Owing to its low cost, ease of use, and nonpolluting means of preparing samples for analysis, solid-phase extraction (SPE) is fast overtaking traditional liquid-liquid methods in clinical, pharmaceutical, agricultural, and industrial applications. This book describes what analytical scientists and technicians need to know about this emerging procedure: how it works, how to choose from available techniques, how to utilize it effectively in the laboratory. Along with the historical perspective and fundamental principles, this practical book reviews the latest literature on solid-phase materials, equipment, and applications-including EPA-endorsed techniques. Special features include: * Coverage of separation and uptake methods. * Promising developments in the use of membrane disks. * The advantages of using polymeric resins over silica materials. * Mechanism and use of ion-exchange materiTrade Review"...highly recommended and will serve as an important basic manual for chemists from research institutes and industry." (Chromatographia, July 2000)Table of ContentsIntroduction and Principles. SPE in the 1970s: Extraction of Organic Pollutants from Water. Solid Particles for Solid-Phase Extraction of Organic Compounds from Water. Practical Considerations: Equipment and Techniques. Ion-Exchange Sorbents. Resin-Loaded Membranes. Preconcentration of Metal Ions. Microscale and Semimicroscale Techniques. Applications. Index.

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Book SynopsisPeter Mirau presents an introduction to the theory and practice of NMR. He covers the fundamental principles of NMR and the applications to polymers. This book helps readers understand how these methods can be used to determine the chemical structure of polymers that influences the macroscopic properties.Trade Review"...useful for researchers or upper level undergraduate and graduate students exploring NMR for characterizing polymers." (E-STREAMS, April 2006) "...this book presents an introduction to the theory and practice of NMR..." (Apollit, 13th December 2005) "Students and researchers in polymer and analytical chemistry will find this book a useful resource." (Analytical Chemistry, February 1, 2005)Table of Contents1. Introduction to NMR. 1.1 Introduction. 1.2 Basic Principles of NMR. 1.2.1 Introduction. 1.2.2 Magnetic Resonance. 1.2.3 The Rotation Reference Frame. 1.2.4 The Bloch Equations. 1.2.5 Pulsed NMR. 1.2.6 The Fourier Transform. 1.2.7 The Product Operator Formalism. 1.3 Chemical Shifts and Polymer Structure. 1.3.1 Molecular Structure and Chemical Shifts. 1.3.2 Proton Chemical Shifts. 1.3.3 Carbon Chemical Shifts. 1.3.4 Other Nuclei. 1.4 Spin-Spin Coupling. 1.4.1 Introductions. 1.4.2 Nomenclature for Spin-Spin Coupling. 1.4.3 Spin-Spin Coupling Patterns. 1.4.4 Proton-Proton Coupling. 1.4.5 Proton-Carbon Coupling. 1.4.6 Other Nuclei. 1.4.7 Homonuclear Couplings in Insensitive Nuclei. 1.5 NMR Relaxation. 1.5.1 Introduction. 1.5.2 Relaxation Mechanisms. 1.5.3 Spin-Lattice Relaxation. 1.5.4 Spin-Spin Relaxation. 1.5.5 The Nuclear Overhauser Effect. 1.6 Solid State NMR. 1.6.1 Chemical Shift Anisotropy. 1.6.2 Magic-Angle Sample Spinning. 1.6.3 Dipolar Broadening and Decoupling. 1.6.4 Cross Polarization. 1.6.5 Quadrupolar NMR. 1.7 Multidimensional NMR. 1.7.1 Magnetization Transfer in nD NMR. 1.7.2 Solution 2D NMR Experiments. 1.7.3 Solid-State 2D NMR Experiments. 2. Experimental Methods. 2.1 Introduction. 2.2 The NMR Spectrometer. 2.2.1 The Magnet. 2.2.2 Shim Coils. 2.2.3 RF Console. 2.2.4 NMR Probes. 2.2.5 Computer. 2.3 Tuning the NMR Spectrometer. 2.3.1 Adjusting the Homogeneity. 2.3.2 Adjusting the Gain. 2.3.3 Tuning the Probe. 2.3.4 Adjusting the Pulse Widths. 2.4 Solution NMR Methods. 2.4.1 Sample Preparation. 2.4.2 Data Acquisition. 2.4.3 Decoupling. 2.4.4 Data Processing. 2.4.5 Quantitative NMR. 2.4.6 Sensitivity Enhancement. 2.4.7 Spectra Editing. 2.5 Solid-State NMR Methods. 2.5.1 Magic-Angle Sample Spinning. 2.5.2 Gross Polarization. 2.5.3 Decoupling. 2.5.4 Wideline NMR. 2.5.5 Solid-State Proton NMR. 2.6 NMR Relaxation. 2.6.1 NMR Relaxation in Solution. 2.6.2 Solid-State NMR Relaxation. 2.7 Multidimensional NMR. 2.7.1 Data Acquisition. 2.7.2 Data Processing. 3. The Solution Characterization of Polymers. 3.1 Introduction. 3.1.1 Polymer Microstructure. 3.1.2 Spectral Assignments in Polymers. 3.2 Stereochemical Characterization of Polymers. 3.2.1 The Observation of Stereochemical Isomerism. 3.2.2 Resonance Assignments for Stereosequences. 3.3 Regioisomerism in Polymers. 3.4 Defects in Polymers. 3.4.1 Branching. 3.4.2 Endgroups. 3.5 Polymer Chain Architecture. 3.6 Copolymer Characterization. 3.6.1 Random Copolymers. 3.6.2 Alternating Copolymers. 3.6.3 Block Copolymers. 3.7 The Solution Structure of Polymers. 3.7.1 Polymer Chain Conformation. 3.7.2 Intermolecular Interactions in Polymers. 4. The Solid-State NMR of Polymers. 4.1 Introduction. 4.2 Chain Conformation in Polymers. 4.2.1 Semicrystalline Polymers. 4.2.2 Amorphous Polymers. 4.2.3 Elastomers. 4.2.4 Reactivity and Curing in Polymers. 4.3 Structure and Morphology in Polymers. 4.3.1 Introduction. 4.3.2 Spin Diffusion and Polymer Morphology. 4.3.3 Semicrystalline Polymers. 4.3.4 Block Copolymers. 4.3.5 Multiphase Polymers. 4.3.6 Polymer Blends. 5. The Dynamics of Polymers. 5.1 Introduction. 5.2 Chain Motion of Polymers in Solution. 5.2.1 Modeling the Molecular Dynamics of Polymers in Solution. 5.2.2 Relaxation Measurements in Solution. 5.2.3 NMR Relaxation Measurements in Solution. 5.2.4 The Relaxation of Polymers in Solution. 5.3 NMR Relaxation in the Solid State. 5.3.1 Introduction. 5.3.2 NMR Relaxation in Solid Polymers. 5.3.3 Spin Exchange in Solid Polymers. 5.3.4 Polymer Dynamics and Lineshapes.

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Book SynopsisFocuses on the principles of solid-state sensor operations, demonstrating the interdisciplinary science that governs modern sensing devices. The text covers fabrication technology, device performance, areas of application and integration/multiplexing trends in sensor development.Table of ContentsInteractions of Gases with Surfaces: The H2 Case. Gas-Sensitive Solid State Semiconductor Sensors. Photonic and Photoacoustic Gas Sensors. Fiber-Optic Sensors. Piezoelectric Quartz Crystal Microbalance Sensors. Surface Acoustic Wave Sensors. Pyroelectric and Thermal Sensors. Future Trends. Appendix. Index.

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Book SynopsisThe chemical enigma that is both a pollutant and anantipollutant--and environmental science's newest causecelebre.oxidants Responsible for chemical reactions both harmfuland benign, oxidants represent the sort of chemical puzzle thathave scientists both concerned and fascinated. Implicated in deadlysmog episodes and arteriosclerosis, oxidants have also played amajor role in treating polluted waters and in certain anticancerdrugs. A broad-based, up-to-date examination of the environmentalchemistry and toxicology of oxidants, Environmental Oxidants is acompendium of the latest research being done in the field. Bringingtogether the work of noted researches, the book contains a detailedlook at: * Evolution, production, distribution, and fate of oxidants in theatmosphere, hydrosphere, and biosphere * Influence of human activities on oxidative processes in theatmosphere * Oxidative stress at the cellular, systemic, and ecosystemlevels * Use of oxidants in wastewater treatment processes A selTable of ContentsPartial table of contents: Photosynthetic Oxygen Evolution (C. Yocum). Oxidants in the Unpolluted Marine Atmosphere (A. Thompson). Ozone Formation in Urban Plumes (I. Colbeck & A.MacKenzie). The Impact of Dynamics and Transport on Stratospheric Ozone andOther Constituents (J. Austin). Aqueous Sulfur(IV) Oxidation Revisited (L. Martin). Oxidative Mechanisms of Phototoxity (R. Larson & K.Marley). Effects of Ozone in Human Studies (N. Alexis, et al.). Some Hematological Effects of Oxidants (O. Baskurt & S.Yavuzer). Impact of Oxidants on a Forest Area Assessed with Dynamic Maps (W.Grossmann). Alternative Attainment Criteria for a Secondary Federal Standardfor Ozone (E. Lee, et al.). Index.

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Book SynopsisThis book provides an introduction to the underlying theory, fundamentals, and applications of EPR spectroscopy, as well as new developments in the area. Knowledge of the topics presented will allow the reader to interpret of a wide range of EPR spectra, as well as help them to apply EPR techniques to problem solving in a wide range of areas: organic, inorganic, biological, and analytical chemistry; chemical physics, geophysics, and minerology. Includes updated information on high frequency and multi-frequency EPR, pulsed microwave techniques and spectra analysis, dynamic effects, relaxation phenomena, computer-based spectra simulation, biomedical aspects of EPR, and more Equips readers with sufficient knowledge of EPR techniques to go on in their specialized area of interest Provides problem sets and concise bibliographies at the end of each chapter, plus several tutorial appendices on topics like mathematical operations, quantum mechanics of angular momentTrade Review"Highly recommended to researchers seeking applications that would harness the potential of EPR spectroscopy to related fields of study. The authors are to be congratulated on producing a truly formidable EPR bible that lays claim once again to being the standard of work on the subject." (Journal of Chemical Education, January 2009)Table of ContentsPREFACE. ACKNOWLEDGMENTS. 1 BASIC PRINCIPLES OF PARAMAGNETIC RESONANCE. 1.1 Introduction. 1.2 Historical Perspective. 1.3 A Simple EPR Spectrometer. 1.4 Scope of the EPR Technique. 1.5 Energy Flow in Paramagnetic Systems. 1.6 Quantization of Angular Momenta. 1.7 Relation Between Magnetic Moments and Angular Momenta. 1.8 Magnetic Field Quantities and Units. 1.9 Bulk Magnetic Properties. 1.10 Magnetic Energies and States. 1.11 Interaction of Magnetic Dipoles with Electromagnetic Radiation. 1.12 Characteristics of the Spin Systems. 1.13 Parallel-Field EPR. 1.14 Time-Resolved EPR. 1.15 Computerology. 1.16 EPR Imaging. References. Notes. Further Reading. Problems. 2 MAGNETIC INTERACTION BETWEEN PARTICLES. 2.1 Introduction. 2.2 Theoretical Considerations of the Hyperfine Interaction. 2.3 Angular-Momentum and Energy Operators. 2.4 Energy Levels of a System with One Unpaired Electron and One Nucleus with I = ½. 2.5 Energy Levels of a System with S = ½ and I = 1. 2.6 Signs of Isotropic Hyperfine Coupling Constants. 2.7 Dipolar Interactions Between Electrons. References. Notes. Further Reading. Problems. 3 ISOTROPIC HYPERFINE EFFECTS IN EPR SPECTRA. 3.1 Introduction. 3.2 Hyperfine Splitting from Protons. 3.3 Hyperfine Splittings from Other Nuclei with I = ½. 3.4 Hyperfine Splittings from Nuclei with I > ½. 3.5 Useful Rules for the Interpretation of EPR Spectra. 3.6 Higher-Order Contributions to Hyperfine Splittings. 3.7 Deviations from the Simple Multinomial Scheme. 3.8 Other Problems Encountered in EPR Spectra of Free Radicals. 3.9 Some Interesting p-Type Free Radicals. References. Notes. Further Reading. Problems. 4 ZEEMAN ENERGY (g) ANISOTROPY. 4.1 Introduction. 4.2 Systems with High Local Symmetry. 4.3 Systems with Rhombic Local Symmetry. 4.4 Construction of the g Matrix. 4.5 Symmetry-Related Sites. 4.6 EPR Line Intensities. 4.7 Statistically Randomly Oriented Solids. 4.8 Spin-Orbit Coupling and Quantum-Mechanical Modeling of g. 4.9 Comparative Overview. References. Notes. Further Reading. Problems. 5 HYPERFINE (A) ANISOTROPY. 5.1 Introduction. 5.2 Origin of the Anisotropic Part of the Hyperfine Interaction. 5.3 Determination and Interpretation of the Hyperfine Matrix. 5.4 Combined g and Hyperfine Anisotropy. 5.5 Multiple Hyperfine Matrices. 5.6 Systems With I > ½. 5.7 Hyperfine Powder Lineshapes. References. Notes. Further Reading. Problems. 6 SYSTEMS WITH MORE THAN ONE UNPAIRED ELECTRON. 6.1 Introduction. 6.2 Spin Hamiltonian for Two Interacting Electrons. 6.3 Systems with S = 1 (Triplet States). 6.4 Interacting Radical Pairs. 6.5 Biradicals. 6.6 Systems with S > 1. 6.7 High-Spin and High-Field Energy Terms. 6.8 The Spin Hamiltonian: A Summing up. 6.9 Modeling the Spin-Hamiltonian Parameters. References. Notes. Further Reading. Problems. 7 PARAMAGNETIC SPECIES IN THE GAS PHASE. 7.1 Introduction. 7.2 Monatomic Gas-Phase Species. 7.3 Diatomic Gas-Phase Species. 7.4 Triatomic and Polyatomic Gas-Phase Molecules. 7.5 Laser Electron Paramagnetic Resonance. 7.6 Other Techniques. 7.7 Reaction Kinetics. 7.8 Astro-EPR. References. Notes. Further Reading. Problems. 8 TRANSITION-GROUP IONS. 8.1 Introduction. 8.2 The Electronic Ground States of d-Electron Species. 8.3 The EPR Parameters of d-Electron Species. 8.4 Tanabe-Sugano Diagrams and Energy-Level Crossings. 8.5 Covalency Effects. 8.6 A Ferroelectric System. 8.7 Some f-Electron Systems. References. Notes. Further Reading. Problems. 9 THE INTERPRETATION OF EPR PARAMETERS. 9.1 Introduction. 9.2 π-Type Organic Radicals. 9.3 σ-Type Organic Radicals. 9.4 Triplet States and Biradicals. 9.5 Inorganic Radicals. 9.6 Electrically Conducting Systems. 9.7 Techniques for Structural Estimates from EPR Data. References. Notes. Further Reading. Problems. Appendix 9A Hu¨ckel Molecular-Orbital Calculations. HMO References. HMO Problems. 10 RELAXATION TIMES, LINEWIDTHS AND SPIN KINETIC PHENOMENA. 10.1 Introduction. 10.2 Spin Relaxation: General Aspects. 10.3 Spin Relaxation: Bloch Model. 10.4 Linewidths. 10.5 Dynamic Lineshape Effects. 10.6 Longitudinal Detection. 10.7 Saturation-Transfer EPR. 10.8 Time Dependence of the EPR Signal Amplitude. 10.9 Dynamic Nuclear Polarization. 10.10 Bio-Oxygen. 10.11 Summary. References. Notes. Further Reading. Problems. 11 NONCONTINUOUS EXCITATION OF SPINS. 11.1 Introduction. 11.2 The Idealized B1 Switch-on. 11.3 The Single B1 Pulse. 11.4 Fourier-Transform EPR and FID Analysis. 11.5 Multiple Pulses. 11.6 Electron Spin-Echo Envelope Modulation. 11.7 Advanced Techniques. 11.8 Spin Coherence and Correlation. References. Notes. Further Reading . Problems. 12 DOUBLE-RESONANCE TECHNIQUES. 12.1 Introduction. 12.2 A Continuous-Wave ENDOR Experiment. 12.3 Energy Levels and ENDOR Transitions. 12.4 Relaxation Processes in Steady-State ENDOR5. 12.5 CW ENDOR: Single-Crystal Examples. 12.6 CW ENDOR in Powders and Non-Crystalline Solids. 12.7 CW ENDOR in Liquid Solutions. 12.8 Pulse Double-Resonance Experiments. 12.9 Electron-Electron Double Resonance (ELDOR). 12.10 Optically Detected Magnetic Resonance. 12.11 Fluorescence-Detected Magnetic Resonance. References. Notes. Further Reading. Problems. 13 OTHER TOPICS. 13.1 Apologia . 13.2 Biological Systems. 13.3 Clusters. 13.4 Charcoal, Coal, Graphite and Soot . 13.5 Colloids. 13.6 Electrochemical EPR. 13.7 EPR Imaging. 13.8 Ferromagnets, Antiferromagnets and Superparamagnets. 13.9 Glasses. 13.10 Geologic/Mineralogic Systems and Selected Gems. 13.11 Liquid Crystals. 3.12 “Point” Defects. 13.13 Polymers. 13.14 Radiation Dosage and Dating. 13.15 Spin Labels. 13.16 Spin Traps. 13.17 Trapped Atoms and Molecules. APPENDIX A MATHEMATICAL OPERATIONS. A.1 Complex Numbers. A.2 Operator Algebra. A.3 Determinants. A.4 Vectors: Scalar, Vector, and Outer Products. A.5 Matrices. A.6 Perturbation Theory. A.7 Dirac Delta Function. A.8 Group Theory. References. Notes. Further Reading. Problems. APPENDIX B QUANTUM MECHANICS OF ANGULAR MOMENTUM. B.1 Introduction. B.2 Angular-Momentum Operators. B.3 Commutation Relations for General Angular-Momentum Operators. B.4 Eigenvalues of J2 and Jz. B.5 Superposition of States. B.6 Angular-Momentum Matrices. B.7 Addition of Angular Momenta. B.8 Notation for Atomic and Molecular States. B.9 Angular Momentum and Degeneracy of States. B.10 Time Dependence. B.11 Precession. B.12 Magnetic Flux Quantization. B.13 Summary. References. Notes. Further Reading. Problems. Notes for Problem B.12. APPENDIX C THE HYDROGEN ATOM AND SELECTED RADICALS RHn. C.1 Hydrogen Atom. C.2 RH Radicals. C.3 RH2 Radicals. References. Notes. Further Reading. Problems. APPENDIX D PHOTONS. D.1 Introduction. D.2 The Physical Aspects of Photons. D.3 Magnetic-Resonance Aspects. References. Notes. APPENDIX E INSTRUMENTATION AND TECHNICAL PERFORMANCE. E.1 Instrumental: Background. E.2 CW EPR Spectrometers. E.3 Pulsed EPR Spectrometers. E.4 Computer Interfacing with EPR Spectrometers. E.5 Techniques for Temperature Variation and Control. E.6 Techniques for Pressure Variation. References. Notes. Further Reading. Problems. APPENDIX F EXPERIMENTAL CONSIDERATIONS. F.1 Techniques for Generation of Paramagnetic Species. F.2 Lineshapes and Intensities. F.3 Sensitivity and Resolution. F.4 Measurements. References. Notes. Further Reading. Problems. APPENDIX G EPR-RELATED BOOKS AND SELECTED CHAPTERS. APPENDIX H FUNDAMENTAL CONSTANTS, CONVERSION FACTORS, AND KEY DATA. APPENDIX I MISCELLANEOUS GUIDELINES. I.1 Notation for Symbols. I.2 Glossary of Symbols. I.3 Abbreviations. I.4 Exponent Nomenclature. I.5 Journal Reference Style. Author Index. Subject Index.

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Book SynopsisAn introduction and guide to the analysis of mineral type materials and products using the fused, cast bead technique. Coverage includes spectrometric parameters and the analytical procedures for a wide range of substances, essential laboratory equipment and its correct use, processes involved in ignition and decomposition loss by fusion and their chemistry.Table of ContentsApparatus and Equipment. Determination of Non-XRF Elements. Loss on Ignition. Decomposition of Samples by Fusion. Selection of Instrument Parameters. Element Line Selection. The Standard Procedure. Calibration. Presentation of the Sample Bead and Completion of theAnalysis. Routine Techniques for Material Types. Procedures for Silica/Alumina Range Materials. Procedures for Calcium-Rich Materials. Procedures for Magnesium-Rich Materials. Procedures for Zircon-Bearing Materials. Procedures for Various Oxides and Titanates. Procedures for Glasses, Glazes and Frits. Procedures for Reduced Materials. Procedures for Samples of Unknown Composition. Appendices. Index.

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Book SynopsisCellulose is the most abundant organic polymer on earth. In solution, cellulose derivatives can form liquid crystals which take on characteristics of the solid state with unique optical and physico-mechanical properties. The author presents an overview of modern developments in the physical chemistry of solutions of cellulose and its derivatives. Physical Chemistry of Non-aqueous Solutions of Cellulose and Its Derivatives discusses: * how experimental data and computer simulation can give insight into the factors which influence the interaction of solvent and solute * how phase transitions in solution can be predicted from the solvency of non aqueous solvents for oellulose and its derivatives * the methods for obtaining thermodynamic parameters for solvation in non-aqueous solvents * the rheological properties of lyotropic liquid crystals. The Wiley Series in Solution Chemistry fills the increasing need to present authoritative comprehensive and fully up-to-date accTrade Review"...would be recommended for polymer science libraries...moreover it would be of interest for research personnel in those industries that have an interest in developing polymer products from cellulose and its derivatives." --Macromolecular Chemistry & Physics, 23rd October 2000Table of ContentsPhase Equilibria and Liquid Crystalline Order in Solutions of Cellulose and Its Derivatives. Influence of the Solvent on the Equilibrium and Kinetic Rigidity of the Molecular Chain of Cellulose and Its Derivatives in Solution. Thermochemistry of Dissolution of Cellulose in Non-aqueous Solvents. Solvation of Cellulose and Its Derivatives in Non-aqueous Solutions. Mathematical Models of Cellulose and Its Derivatives in Solution. Rheological Behaviour of Lyotropic LC Systems Based on Cellulose and Its Derivatives. Index.

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Book SynopsisWritten from a chemist's perspective, this book provides coverage of all aspects of the occurrence, toxicity and analysis of toxicants in the aqueous ecosystem. Chapters in the book deal with toxicity measurement, control of pollution regulation and toxicity data.Table of ContentsToxicity Evaluation--Water Analysis Based. Toxicity Evaluation--Animal Tissue Analysis Based. Control of Pollution Regulations. Toxicity Data. Effects on Creatures of Dissolved Metals in Freshwater andOceans. Effects on Creatures of Organic and Organometallic Compounds inWater. Pollution of Sedimentary Matter. Pollution of Sea Creatures, Phytoplankton, Algae and Weeds. Pollution of Potable Water. Radioactivity in the Environment. Appendices. Index.

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Book SynopsisThe reader is presented in this book with the state of the art key theoretical approaches to the phenomena of hydrogen bonding, considering the hydrogen bond in a range of systems.Table of ContentsThe Hydrogen Bond: An Electrostatic Interaction? (A. Buckingham). Ab Initio Methods Applied to Hydrogen-Bonded Systems (J. de Rejdt& F. van Duijneveldt). Density Functional Theory and its Application to Hydrogen-BondedSystems (H. Guo, et al.). Ab Initio GIAO Magnetic Shielding Tensor for Hydrogen-BondedSystems (J. Hinton & K. Wolinski). Hydrogen Bonding by Semiempirical Molecular Orbital Methods (D.Hadzi & J. Koller). Simulating Proton Transfer Processes: Quantum Dynamics Embedded ina Classical Environment (H. Berendsen & J. Mavri). Theory of Solvent Effects and the Description of ChemicalReactions: Proton and Hydride Transfer Processes (O. Tapia, etal.). Infrared Spectra of Hydrogen Bonds: Basic Theories, Indirect andDirect Relaxation Mechanisms in Weak Hydrogen-Bonded Systems (O.Henri-Rousseau & P. Blaise). Infrared Pump-Probe Spectroscopy of Water on Pico- andSubpicosecond Time Scales (S. Bratos & A. Laubereau). Hydrogen Bonding and Nuclear Magnetic Relaxation in Liquids (H.Hertz). Collective Behavior of Hydrogen Bonds in Ferroelectrics and ProtonGlasses (R. Blinc & R. Pirc). Computational Experiments on Hydrogen-Bonded Systems: From GasPhase to Solutions (E. Clementi & G. Corongiu). Epilogue: On Hydrogen-Bond Computations in Very Large ChemicalSystems (E. Clementi). Indexes. List of Compounds and Hydrogen-Bonded Systems.

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Book SynopsisProvides a powerful and versatile methodology that enables researchers to design their investigations and analyse data effectively and safely, without the need for formal statistical training.Trade Review"This is an important book; the authors have done a quality job..." (N.I.R. News, Vol 12/1, 2001) "This book is recommended to students of chemical, biochemical and food engineering, scientists and industrial practitioners". (Chemical Biochemical Engineering, June 2001) "a possible source of inspiration" (Measurement Science Technology, October 2001) "a powerful and versatile methodology" (Chemie Plus, June 2001) "...should prove a very useful text for this target readership." (Short Book Reviews, Vol. 22, No. 1, April 2002) "...Through the book, there is a solid philosophy and opinions supported by the intelligence and experience of the couple [authors]..." (Applied Spectroscopy, Vol.56, No.8, 2002) "...The book is written by two experts in the field with nearly 30 years of experience, and this is reflected in every aspect of the book..." (Journal of Chemometrics, No.16, 2002)Table of ContentsPreface. Acknowledgements. OVERVIEW. Why Multivariate Data Analysis? Qualimetrics for Determining Quality. A Layman's Guide to Multivariate Data Analysis. METHODOLOGY. Some Estimation Concepts. Analysis of One Data Table X: Principle Component Analysis. Analysis of Two Data Tables X and Y: Partial Least Squares Regression (PLSR). Example of Multivariate Calibration Project. Interpretation of Many Types of Data X and Y: Exploring Relationships in Interdisciplinary Data Sets. Classification and Discrimination X_1, X_2, X_3: Handling Heterogeneous Sample Sets. Validation X and Y. Experimental Planning Y and X. APPLICATIONS. Multivariate Calibration: Quality Determination of Wheat From High-speed NIR Spectra. Analysis of Questionnaire Data: What Determines Quality of the Working Environment? Analysis of a Heterogeneous Sample Set: Predicting Toxicity From Quantum Chemistry. Multivariate Statistical Process Control: Quality Monitoring of a Sugar Production Process. Design and Analysis of Controlled Experiments: Reducing Loss of Quality in Stored Food. Appendix A1: How the Present Book Relates to Some Mathematical Modelling Traditions in Science. Appendix A2: Sensory Science. Appendix A3.1: Bi-linear Modelling Has Many Applications. Appendix A3.2: Common Problems and Pitfalls in Soft Modelling. Appendix A4: Mathematical Details. Appendix A5: PCA Details. Appendix A6: PLS Regression Details. Appendix A7: Modelling the Unknown. Appendix A8: Non-linearity and Weighting. Appendix A9: Classification and Outlier Detection. Appendix A10: Cross-validation Details. Appendix A11: Power Estimation Details. Appendix A12: What Makes NIR Data So Information-rich? Appendix A13: Consequences of the Working Environment Survey. Appendix A14: Details of the Molecule Class Models. Appendix A15: Forecasting the Future. Appendix A16: Significance Testing with Cross-validation vs. ANOVA. References. Index.

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Book SynopsisEmphasizing the analysis of metals, this examination of inorganic trace analysis attempts to review the scattered reference works and techniques which are used in the field, and to identify the underlying principles behind the development of trace analysis procedures.Table of ContentsThe Working Environment. Laboratory Materials. Storage. Reagents. The Water Supply. Working Practices. Trouble Shooting. Index.

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Book SynopsisSampling (the removal of a small amount of material from a larger volume to test it for a desired characteristic) is important to industry in order to monitor the progress of a reaction or the quality (purity) of a product.Trade Review"This text is strongly recommended to those who oversee orare involved in sample quality control in moving stream industrialsettings. This text will also find utility for studentsstudying sampling methods in advanced analytical chemistrycourses." (J. Am. Chem. Soc., 1999)Table of ContentsTHE QUALITATIVE APPROACH: ACHIEVING ACCURACY IN SAMPLING. How Can the Mass of a Lot L be Reduced? Heterogeneity and Sampling. Sampling Definitions. Objects in Three, Two, One or Zero Dimension(s). The Practical Sampling of Moving Streams of Material. Conclusions on the Qualitative Approach. THE QUANTITATIVE APPROACH: TAKING REPRODUCIBLE SAMPLES FROM APOPULATION OF NON-ORDERED OBJECTS. The Heterogeneity of a Population. Sampling: The Zero-Dimensional Model: The Fundamental Error FE. Sampling: The Zero-Dimensional Model: The Segregation and GroupingError SGE. THE QUANTITATIVE APPROACH: ENSURING THE REPRODUCIBILITY OF SAMPLESTAKEN FROM A SERIS OF CHRONOLOGICALLY ORDERED OBJECTS. Heterogeneity: The One-Dimensional Model. Sampling: The One-Dimensional Model. THE QUANTITATIVE APPROACH: OTHER APPLICATIONS OF SAMPLING THEORY. Measurement of Mass by Proportional Sampling. Appendices. References. Index.

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Book SynopsisThermal Analysis Fundamentals and Applications to Polymer Science T. Hatakeyama Otsuma Women''s University, Tokyo, Japan F. X. Quinn L''Oréal Recherche Advancée, Aulnay-sous-Bois, France The first edition of this classic book remains one of the very few introductory books covering both theoretical and practical aspects of thermal analysis (TA). This new edition includes a much enlarged section on MDSC, in which the instrument is described and a critical appraisal of the technique presented. Other additions include new sections on rate-controlled TGA, OTTER, and Specific Heat Spectroscopy, and a thoroughly updated section on X-Ray DSC. This very practical book is a must for people who use thermal analysis techniques in their everyday work. An excellent introductory text - Review of 1st Edition.Table of ContentsThermal Analysis. Differential Thermal Analysis and Differential Scanning Calorimetry. Calibration and Sample Preparation. Thermogravimetry. Applications of Thermal Analysis. Other Thermal Analysis Methods. Appendices. Indexes.

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Book SynopsisRegulatory agencies throughout the world are reviewing the importance of chirality with regard to pharmaceutical and agrochemical products. Guidelines from such agencies have been key drivers for the focus on single enantiomer products in these industries.Table of ContentsPreface. Further Reading. Acknowledgements. How to Use This Book. Glossary of Units. Abbreviations and Symbols. Part I: Chirality. Chapter 1: Overview of Chirality. Chapter 2: Drivers for the Chiral Market. Chapter 3: Sources of Chiral Compounds. Chapter 4: Methodologies for Obtaining Chiral Compounds: Some Examples. Part II: Main Entries. Part III: Indexes. CAS RN Index. EINECS Index. Name and Synonym Index. Part IV: Manufacturer and Supplier Directory.

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Book SynopsisStatistical techniques have assumed an integral role in both the interpretation and quality assessment of analytical results. This book describes the range of statistical methods for such tasks, with the advantages and disadvantages of each technique clarified by use of examples.Trade Review"What makes this book stand out is its introductory and fundamental character and its good working up from a didactic point of view with easily understandable examples from the fields of analytical chemistry. This enables the reader to understand the selected statistical and mathematical methods introduced." "This book can be recommended to students and scientists who are interested in a brief introduction to selected statistical and mathematical methods for treatment of analytical data. It gives a good overview of the mathematical fundamentals of the methods presented. Simple examples from the practice of analytical chemistry substantiate the reader's understanding of what happens if chemometric methods are applied." Anal Bioanal Chem 2006Table of Contents1: Introduction. 2: Statistical Measures of Experimental Data. 3: Distribution functions. 4: Confidence limits of the mean. 5: Significance test. 6: Outliers. 7: Instrumental Calibration – Regression Analysis. 8: Identification of analyte by multi measurement analysis. 9: Smoothing of Spectra Signals. 10: Peak Search and Peak Integration. 11: Fourier Transform Methods. 12: General and specific issues in uncertainty analysis. 13: Artificial Neural Networks in Analytical Chemistry

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