Spectrum analysis Books

Book SynopsisIntroduces the reader to a wide range of spectroscopies and includes both the background theory and applications to structure determination and chemical analysis. It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy.Trade Review"Two valuable features for both students and instructors are a strong final chapter on Lasers and Laser Spectroscopy, and a set of 17 worked examples…" (Journal of Chemical Education, January 2005) "…a good reference for those interested in basic theories behind general spectroscopic techniques. I welcome its presence in my professional library." (Clinical Chemistry, December 2004) "…this text is well written and the descriptions relating theory to phenomena are clear and well constructed. The book achieves its goal as a well-rounded textbook." (Applied Spectroscopy, August 2004)Table of ContentsPreface to First Edition. Preface to Second Edition. Preface to Third Edition. Preface to Fourth Edition. Units, Dimensions and Conventions. Fundamental Constants. Useful Conversion Factors. 1. Some Important Results in Quantum Mechanics. 2. Electromagnetic Radiation and Its Interaction with Atoms and Molecules. 3. General Features of Experimental Methods. 4. Molecular Symmetry. 5. Rotational Spectroscopy. 6. Vibrational Spectroscopy. 7. Electronic Spectroscopy. 8. Photoelectron and Related Spectroscopies. 9. Lasers and Laser Spectroscopy. Appendix A: Character Tables. Appendix B: Symmetry Species of Vibrations. Index of Atoms and Molecules. Subject Index.

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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 SynopsisProvides comprehensive coverage on using X-ray fluorescence for laboratory applications This book focuses on the practical aspects of X-ray fluorescence (XRF) spectroscopy and discusses the requirements for a successful sample analysis, such as sample preparation, measurement techniques and calibration, as well as the quality of the analysis results. X-Ray Fluorescence Spectroscopy for Laboratory Applications begins with a short overview of the physical fundamentals of the generation of X-rays and their interaction with the sample material, followed by a presentation of the different methods of sample preparation in dependence on the quality of the source material and the objective of the measurement. After a short description of the different available equipment types and their respective performance, the book provides in-depth information on the choice of the optimal measurement conditions and the processing of the measurement results. It covers instrument types for XRF; acquisition and evaluation of X-Ray spectra; analytical errors; analysis of homogeneous materials, powders, and liquids; special applications of XRF; process control and automation. An important resource for the analytical chemist, providing concrete guidelines and support for everyday analyses Focuses on daily laboratory work with commercially available devices Offers a unique compilation of knowledge and best practices from equipment manufacturers and users Covers the entire work process: sample preparation, the actual measurement, data processing, assessment of uncertainty, and accuracy of the obtained results X-Ray Fluorescence Spectroscopy for Laboratory Applications appeals to analytical chemists, analytical laboratories, materials scientists, environmental chemists, chemical engineers, biotechnologists, and pharma engineers.Trade ReviewX-ray fluorescence spectroscopy for laboratory applications is a strongly recommended, high-quality monograph in the field of X-ray spectroscopy. [?] [I]t is a unique resource for practitioners and scientists. Kerstin Leopold in Analytical and Bioanalytical Chemistry (29.07.2021)Table of ContentsPreface xvii List of Abbreviations and Symbols xix About the Authors xxiii 1 Introduction 1 2 Principles of X-ray Spectrometry 7 2.1 Analytical Performance 7 2.2 X-ray Radiation and Their Interaction 11 2.2.1 Parts of an X-ray Spectrum 11 2.2.2 Intensity of the Characteristic Radiation 13 2.2.3 Nomenclature of X-ray Lines 15 2.2.4 Interaction of X-rays with Matter 15 2.2.4.1 Absorption 16 2.2.4.2 Scattering 17 2.2.5 Detection of X-ray Spectra 20 2.3 The Development of X-ray Spectrometry 21 2.4 Carrying Out an Analysis 26 2.4.1 Analysis Method 26 2.4.2 Sequence of an Analysis 27 2.4.2.1 Quality of the Sample Material 27 2.4.2.2 Sample Preparation 27 2.4.2.3 Analysis Task 28 2.4.2.4 Measurement and Evaluation of the Measurement Data 28 2.4.2.5 Creation of an Analysis Report 29 3 Sample Preparation 31 3.1 Objectives of Sample Preparation 31 3.2 Preparation Techniques 32 3.2.1 Preparation Techniques for Solid Samples 32 3.2.2 Information Depth and Analyzed Volume 32 3.2.3 Infinite Thickness 36 3.2.4 Contaminations 37 3.2.5 Homogeneity 38 3.3 Preparation of Compact and Homogeneous Materials 39 3.3.1 Metals 39 3.3.2 Glasses 40 3.4 Small Parts Materials 41 3.4.1 Grinding of Small Parts Material 42 3.4.2 Preparation by Pouring Loose Powder into a Sample Cup 43 3.4.3 Preparation of the Measurement Sample by Pressing into a Pellet 44 3.4.4 Preparation of the Sample by Fusion Beads 48 3.4.4.1 Improving the Quality of the Analysis 48 3.4.4.2 Steps for the Production of Fusion Beads 49 3.4.4.3 Loss of Ignition 53 3.4.4.4 Quality Criteria for Fusion Beads 53 3.4.4.5 Preparation of Special Materials 54 3.5 Liquid Samples 55 3.5.1 Direct Measurement of Liquids 55 3.5.2 Special Processing Procedures for Liquid Samples 58 3.6 Biological Materials 58 3.7 Small Particles, Dust, and Aerosols 59 4 XRF Instrument Types 61 4.1 General Design of an X-ray Spectrometer 61 4.2 Comparison of Wavelength- and Energy-Dispersive X-Ray Spectrometers 63 4.2.1 Data Acquisition 63 4.2.2 Resolution 64 4.2.2.1 Comparison of Wavelength- and Energy-Dispersive Spectrometry 64 4.2.2.2 Resolution of WDS Instruments 66 4.2.2.3 Resolution of EDS Instruments 68 4.2.3 Detection Efficiency 70 4.2.4 Count Rate Capability 71 4.2.4.1 Optimum Throughput in ED Spectrometers 71 4.2.4.2 Saturation Effects in WDSs 72 4.2.4.3 Optimal Sensitivity of ED Spectrometers 73 4.2.4.4 Effect of the Pulse Throughput on the Measuring Time 74 4.2.5 Radiation Flux 75 4.2.6 Spectra Artifacts 76 4.2.6.1 Escape Peaks 76 4.2.6.2 Pile-Up Peak 77 4.2.6.3 Diffraction Peaks 77 4.2.6.4 Shelf and Tail 79 4.2.7 Mechanical Design and Operating Costs 79 4.2.8 Setting Parameters 80 4.3 Type of Instruments 80 4.3.1 ED Instruments 81 4.3.1.1 Handheld Instruments 82 4.3.1.2 Portable Instruments 83 4.3.1.3 Tabletop Instruments 84 4.3.2 Wavelength-Dispersive Instruments 85 4.3.2.1 Sequential Spectrometers 85 4.3.2.2 Multichannel Spectrometers 87 4.3.3 Special Type X-Ray Spectrometers 87 4.3.3.1 Total Reflection Instruments 88 4.3.3.2 Excitation by Monoenergetic Radiation 90 4.3.3.3 Excitation with Polarized Radiation 91 4.3.3.4 Instruments for Position-Sensitive Analysis 93 4.3.3.5 Macro X-Ray Fluorescence Spectrometer 94 4.3.3.6 Micro X-Ray Fluorescence with Confocal Geometry 95 4.3.3.7 High-Resolution X-Ray Spectrometers 96 4.3.3.8 Angle Resolved Spectroscopy – Grazing Incidence and Grazing Exit 96 4.4 Commercially Available Instrument Types 98 5 Measurement and Evaluation of X-ray Spectra 99 5.1 Information Content of the Spectra 99 5.2 Procedural Steps to Execute a Measurement 101 5.3 Selecting the Measurement Conditions 102 5.3.1 Optimization Criteria for the Measurement 102 5.3.2 Tube Parameters 103 5.3.2.1 Target Material 103 5.3.2.2 Excitation Conditions 104 5.3.2.3 Influencing the Energy Distribution of the Primary Spectrum 105 5.3.3 Measurement Medium 107 5.3.4 Measurement Time 108 5.3.4.1 Measurement Time and Statistical Error 108 5.3.4.2 Measurement Strategies 108 5.3.4.3 Real and Live Time 109 5.3.5 X-ray Lines 110 5.4 Determination of Peak Intensity 112 5.4.1 Intensity Data 112 5.4.2 Treatment of Peak Overlaps 112 5.4.3 Spectral Background 114 5.5 Quantification Models 117 5.5.1 General Remarks 117 5.5.2 Conventional Calibration Models 118 5.5.3 Fundamental Parameter Models 121 5.5.4 Monte Carlo Quantifications 124 5.5.5 Highly Precise Quantification by Reconstitution 124 5.5.6 Evaluation of an Analytical Method 126 5.5.6.1 Degree of Determination 126 5.5.6.2 Working Range, Limits of Detection (LOD) and of Quantification 127 5.5.6.3 Figure of Merit 129 5.5.7 Comparison of the Various Quantification Models 129 5.5.8 Available Reference Materials 131 5.5.9 Obtainable Accuracies 132 5.6 Characterization of Layered Materials 133 5.6.1 General Form of the Calibration Curve 133 5.6.2 Basic Conditions for Layer Analysis 135 5.6.3 Quantification Models for the Analysis of Layers 138 5.7 Chemometric Methods for Material Characterization 140 5.7.1 Spectra Matching and Material Identification 141 5.7.2 Phase Analysis 141 5.7.3 Regression Methods 143 5.8 Creation of an Application 143 5.8.1 Analysis of Unknown Sample Qualities 143 5.8.2 Repeated Analyses on Known Samples 144 6 Analytical Errors 149 6.1 General Considerations 149 6.1.1 Precision of a Measurement 151 6.1.2 Long-Term Stability of the Measurements 153 6.1.3 Precision and Process Capability 154 6.1.4 Trueness of the Result 156 6.2 Types of Errors 156 6.2.1 Randomly Distributed Errors 157 6.2.2 Systematic Errors 158 6.3 Accounting for Systematic Errors 159 6.3.1 The Concept of Measurement Uncertainties 159 6.3.2 Error Propagation 160 6.3.3 Determination of Measurement Uncertainties 161 6.3.3.1 Bottom-Up Method 161 6.3.3.2 Top-Down Method 162 6.4 Recording of Error Information 164 7 Other Element Analytical Methods 167 7.1 Overview 167 7.2 Atomic Absorption Spectrometry (AAS) 168 7.3 Optical Emission Spectrometry 169 7.3.1 Excitation with a Spark Discharge (OES) 169 7.3.2 Excitation in an Inductively Coupled Plasma (ICP-OES) 170 7.3.3 Laser-Induced Breakdown Spectroscopy (LIBS) 171 7.4 Mass Spectrometry (MS) 172 7.5 X-Ray Spectrometry by Particle Excitation (SEM-EDS, PIXE) 173 7.6 Comparison of Methods 175 8 Radiation Protection 177 8.1 Basic Principles 177 8.2 Effects of Ionizing Radiation on Human Tissue 178 8.3 Natural Radiation Exposure 179 8.4 Radiation Protection Regulations 181 8.4.1 Legal Regulations 181 9 Analysis of Homogeneous Solid Samples 183 9.1 Iron Alloys 183 9.1.1 Analytical Problem and Sample Preparation 183 9.1.2 Analysis of Pig and Cast Iron 184 9.1.3 Analysis of Low-Alloy Steel 185 9.1.4 Analysis of High-Alloy Steel 187 9.2 Ni–Fe–Co Alloys 188 9.3 Copper Alloys 189 9.3.1 Analytical Task 189 9.3.2 Analysis of Compact Samples 189 9.3.3 Analysis of Dissolved Samples 189 9.4 Aluminum Alloys 191 9.5 Special Metals 192 9.5.1 Refractories 192 9.5.1.1 Analytical Problem 192 9.5.1.2 Sample Preparation of Hard Metals 192 9.5.1.3 Analysis of Hard Metals 193 9.5.2 Titanium Alloys 194 9.5.3 Solder Alloys 194 9.6 Precious Metals 195 9.6.1 Analysis of Precious Metal Jewelry 195 9.6.1.1 Analytical Task 195 9.6.1.2 Sample Shape and Preparation 196 9.6.1.3 Analytical Equipment 197 9.6.1.4 Accuracy of the Analysis 198 9.6.2 Analysis of Pure Elements 198 9.7 Glass Material 199 9.7.1 Analytical Task 199 9.7.2 Sample Preparation 200 9.7.3 Measurement Equipment 202 9.7.4 Achievable Accuracies 202 9.8 Polymers 203 9.8.1 Analytical Task 203 9.8.2 Sample Preparation 204 9.8.3 Instruments 205 9.8.4 Quantification Procedures 205 9.8.4.1 Standard-Based Methods 205 9.8.4.2 Chemometric Methods 206 9.9 Abrasion Analysis 209 10 Analysis of Powder Samples 213 10.1 Geological Samples 213 10.1.1 Analytical Task 213 10.1.2 Sample Preparation 214 10.1.3 Measurement Technique 215 10.1.4 Detection Limits and Trueness 215 10.2 Ores 216 10.2.1 Analytical Task 216 10.2.2 Iron Ores 216 10.2.3 Mn, Co, Ni, Cu, Zn, and Pb Ores 217 10.2.4 Bauxite and Alumina 218 10.2.5 Ores of Precious Metals and Rare Earths 219 10.3 Soils and Sewage Sludges 221 10.3.1 Analytical Task 221 10.3.2 Sample Preparation 221 10.3.3 Measurement Technology and Analytical Performance 222 10.4 Quartz Sand 223 10.5 Cement 223 10.5.1 Analytical Task 223 10.5.2 Sample Preparation 224 10.5.3 Measurement Technology 225 10.5.4 Analytical Performance 226 10.5.5 Determination of Free Lime in Clinker 227 10.6 Coal and Coke 227 10.6.1 Analytical Task 227 10.6.2 Sample Preparation 228 10.6.3 Measurement Technology and Analytical Performance 229 10.7 Ferroalloys 230 10.7.1 Analytical Task 230 10.7.2 Sample Preparation 230 10.7.3 Analysis Technology 232 10.7.4 Analytical Performance 234 10.8 Slags 235 10.8.1 Analytical Task 235 10.8.2 Sample Preparation 235 10.8.3 Measurement Technology and Analytical Accuracy 236 10.9 Ceramics and Refractory Materials 237 10.9.1 Analytical Task 237 10.9.2 Sample Preparation 237 10.9.3 Measurement Technology and Analytical Performance 238 10.10 Dusts 239 10.10.1 Analytical Problem and Dust Collection 239 10.10.2 Measurement 242 10.11 Food 242 10.11.1 Analytical Task 242 10.11.2 Monitoring of Animal Feed 243 10.11.3 Control of Infant Food 244 10.12 Pharmaceuticals 245 10.12.1 Analytical Task 245 10.12.2 Sample Preparation and Analysis Method 245 10.13 Secondary Fuels 246 10.13.1 Analytical Task 246 10.13.2 Sample Preparation 247 10.13.2.1 Solid Secondary Raw Materials 247 10.13.2.2 Liquid Secondary Raw Materials 249 10.13.3 Instrumentation and Measurement Conditions 250 10.13.4 Measurement Uncertainties in the Analysis of Solid Secondary Raw Materials 251 10.13.5 Measurement Uncertainties for the Analysis of Liquid Secondary Raw Materials 252 11 Analysis of Liquids 253 11.1 Multielement Analysis of Liquids 254 11.1.1 Analytical Task 254 11.1.2 Sample Preparation 254 11.1.3 Measurement Technology 254 11.1.4 Quantification 255 11.2 Fuels and Oils 255 11.2.1 Analysis of Toxic Elements in Fuels 256 11.2.1.1 Measurement Technology 256 11.2.1.2 Analytical Performance 258 11.2.2 Analysis of Additives in Lubricating Oils 258 11.2.3 Identification of Abrasive Particles in Used Lubricants 260 11.3 Trace Analysis in Liquids 261 11.3.1 Analytical Task 261 11.3.2 Preparation by Drying 261 11.3.3 Quantification 262 11.4 Special Preparation Techniques for Liquid Samples 263 11.4.1 Determination of Light Elements in Liquids 263 11.4.2 Enrichment Through Absorption and Complex Formation 264 12 Trace Analysis Using Total Reflection X-Ray Fluorescence 267 12.1 Special Features of TXRF 267 12.2 Sample Preparation for TXRF 269 12.3 Evaluation of the Spectra 271 12.3.1 Spectrum Preparation and Quantification 271 12.3.2 Conditions for Neglecting the Matrix Interaction 272 12.3.3 Limits of Detection 273 12.4 Typical Applications of the TXRF 274 12.4.1 Analysis of Aqueous Solutions 274 12.4.1.1 Analytical Problem and Preparation Possibilities 274 12.4.1.2 Example: Analysis of a Fresh Water Standard Sample 275 12.4.1.3 Example: Detection of Mercury in Water 277 12.4.2 Analysis of the Smallest Sample Quantities 278 12.4.2.1 Example: Pigment Analysis 278 12.4.2.2 Example: Aerosol Analysis 279 12.4.2.3 Example: Analysis of Nanoparticles 279 12.4.3 Trace Element Analysis on Human Organs 280 12.4.3.1 Example: Analysis of Blood and Blood Serum 280 12.4.3.2 Example: Analysis of Trace Elements in Body Tissue 282 12.4.4 Trace Analysis of Inorganic and Organic Chemical Products 283 12.4.5 Analysis of Semiconductor Electronics 284 12.4.5.1 Ultra-Trace Analysis on SiWafers with VPD 284 12.4.5.2 Depth Profile Analysis by Etching 285 13 Nonhomogeneous Samples 287 13.1 Measurement Modes 287 13.2 Instrument Requirements 288 13.3 Data Evaluation 290 14 Coating Analysis 291 14.1 Analytical Task 291 14.2 Sample Handling 292 14.3 Measurement Technology 293 14.4 The Analysis Examples of Coated Samples 294 14.4.1 Single-Layer Systems: Emission Mode 294 14.4.2 Single-Layer Systems: Absorption Mode 297 14.4.3 Single-Layer Systems: Relative Mode 298 14.4.3.1 Analytical Problem 298 14.4.3.2 Variation of the Specified Working Distance 298 14.4.3.3 Sample Size and Spot Size Mismatch 299 14.4.3.4 Non-detectable Elements in the Layer: NiP Layers 300 14.4.4 Characterization of Ultrathin Layers 302 14.4.5 Multilayer Systems 304 14.4.5.1 Layer Systems 304 14.4.5.2 Measurement Technology 305 14.4.5.3 Example: Analysis of CIGS Solar Cells 305 14.4.5.4 Example: Analysis of Solder Structures 306 14.4.6 Samples with Unknown Coating Systems 307 14.4.6.1 Preparation of Cross Sections 308 14.4.6.2 Excitation at Grazing Incidence with Varying Angles 309 14.4.6.3 Measurement in Confocal Geometry 311 15 Spot Analyses 313 15.1 Particle Analyses 313 15.1.1 Analytical Task 313 15.1.2 Sample Preparation 314 15.1.3 Analysis Technology 315 15.1.4 Application Example:Wear Particles in Used Oil 315 15.1.5 Application Example: Identification of Glass Particles by Chemometrics 316 15.2 Identification of Inclusions 318 15.3 Material Identification with Handheld Instruments 318 15.3.1 Analytical Tasks 318 15.3.2 Analysis Technology 319 15.3.3 Sample Preparation and Test Conditions 320 15.3.4 Analytical Accuracy 320 15.3.5 Application Examples 321 15.3.5.1 Example: Lead in Paint 321 15.3.5.2 Example: Scrap Sorting 321 15.3.5.3 Example: Material Inspection and Sorting 322 15.3.5.4 Example: Precious Metal Analysis 322 15.3.5.5 Example: Prospecting and Screening in Geology 323 15.3.5.6 Example: Investigation of Works of Art 323 15.4 Determination of Toxic Elements in Consumer Products: RoHS Monitoring 324 15.4.1 Analytical Task 324 15.4.2 Analysis Technology 325 15.4.3 Analysis Accuracy 327 15.5 Toxic Elements in Toys: Toys Standard 328 15.5.1 Analytical Task 328 15.5.2 Sample Preparation 328 15.5.3 Analysis Technology 330 16 Analysis of Element Distributions 331 16.1 General Remarks 331 16.2 Measurement Conditions 332 16.3 Geology 333 16.3.1 Samples Types 333 16.3.2 Sample Preparation and Positioning 333 16.3.3 Measurements on Compact Rock Samples 334 16.3.3.1 Sum Spectrum and Element Distributions 334 16.3.3.2 Object Spectra 335 16.3.3.3 Treatment of Line Overlaps 336 16.3.3.4 Maximum Pixel Spectrum 339 16.3.4 Thin Sections of Geological Samples 340 16.4 Electronics 342 16.5 Archeometric Investigations 344 16.5.1 Analytical Tasks 344 16.5.2 Selection of an Appropriate Spectrometer 346 16.5.3 Investigations of Coins 347 16.5.4 Investigations of Painting Pigments 349 16.6 Homogeneity Tests 350 16.6.1 Analytical Task 350 16.6.2 Homogeneity Studies Using Distribution Analysis 351 16.6.3 Homogeneity Studies Using Multi-point Measurements 352 17 Special Applications of the XRF 355 17.1 High-Throughput Screening and Combinatorial Analysis 355 17.1.1 High-Throughput Screening 355 17.1.2 Combinatorial Analysis for Drug Development 357 17.2 Chemometric Spectral Evaluation 358 17.3 High-Resolution Spectroscopy for Speciation Analysis 361 17.3.1 Analytical Task 361 17.3.2 Instrument Technology 361 17.3.3 Application Examples 362 17.3.3.1 Analysis of Different Sulfur Compounds 362 17.3.3.2 Speciation of Aluminum Inclusions in Steel 363 17.3.3.3 Determination of SiO2 in SiC 365 18 Process Control and Automation 367 18.1 General Objectives 367 18.2 Off-Line and At-Line Analysis 369 18.2.1 Sample Supply and Analysis 369 18.2.2 Automated Sample Preparation 371 18.3 In-Line and On-Line Analysis 376 19 Quality Management and Validation 379 19.1 Motivation 379 19.2 Validation 380 19.2.1 Parameters 384 19.2.2 Uncertainty 385 Appendix A Tables 387 Appendix B Important Information 419 B.1 Coordinates of Main Manufacturers of Instruments and Preparation Tools 419 B.2 Main Suppliers of Standard Materials 422 B.2.1 Geological Materials and Metals 422 B.2.2 Stratified Materials 423 B.2.3 Polymer Standards 424 B.2.4 High Purity Materials 424 B.2.5 Precious Metal Alloys 425 B.3 Important Websites 425 B.3.1 Information About X-Ray Analytics and Fundamental Parameters 425 B.3.2 Information About Reference Materials 426 B.3.3 Scientific Journals 427 B.4 Laws and Acts, Which Are Important for X-Ray Fluorescence 427 B.4.1 Radiation Protection 427 B.4.2 Regulations for Environmental Control 428 B.4.3 Regulations for Performing Analysis 428 B.4.4 Use of X-ray Fluorescence for the Chemical Analysis 428 B.4.4.1 General Regulations 428 B.4.4.2 Analysis of Minerals 429 B.4.4.3 Analysis of Oils, Liquid Fuels, Grease 430 B.4.4.4 Analysis of Solid Fuels 432 B.4.4.5 Coating Analysis 433 B.4.4.6 Metallurgy 433 B.4.4.7 Analysis of Electronic Components 434 References 435 Index 453

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Book SynopsisThis book is a well-established guide to the interpretation of the mass, ultraviolet, infrared and nuclear magnetic resonance spectra of organic compounds. It is designed for students of organic chemistry taking a course in the application of these techniques to structure determination. The text also remains useful as a source of data for organic chemists to keep on their desks throughout their career. In the seventh edition, substantial portions of the text have been revised reflecting knowledge gained during the author's teaching experience over the last seven years. The chapter on NMR has been divided into two separate chapters covering the 1D and 2D experiments. The discussion is also expanded to include accounts of the physics at a relatively simple level, following the development of the magnetization vectors as each pulse sequence is introduced. The emphasis on the uses of NMR spectroscopy in structure determination is retained. Worked examples and problem sets are included on a chapter level to allow students to practise their skills by determining the chemical structures of unknown compounds.Table of ContentsChapter 1: Mass spectra 1.1 Introduction 1.2 Ion production 1.2.1 Electron impact (EI) 1.2.2 Chemical Ionisation (CI) 1.2.3 Electrospray ionisation (ESI) 1.2.4 Fast ion bombardment (FIB or LSIMS) 1.2.5 Laser desorption (LD) and matrix-assisted laser desorption (MALDI) 1.3 Ion analysis 1.3.1 Magnetic analysers 1.3.2 Time-of–flight (TOF) analysers 1.3.3 Quadrupole analysers 1.3.4 Ion cyclotron resonance (ICR) analysers 1.3.5 Ion-trap analysers 1.4 Structural information from EI mass spectra 1.4.1 The features of an EI spectrum 1.4.2 The molecular ion 1.4.3 Isotopic abundances 1.4.4 Identifying the molecular ion 1.4.5 Fragmentation in EI spectra 1.5 Fragmentation in CI and FIB spectra 1.5.1 Fragmentation in CI spectra 1.5.2 Fragmentation in FIB (LSMIS) spectra 1.6 Some examples of mass spectrometry in action 1.6.1 San Joaquin oil 1.6.2 Oleic acid 1.6.3 The oviposition pheromone 1.6.4 Identifying antibodies 1.6.5 The ESI spectra of melittin and the human parathyroid hormone 1.6.6 ESI-FT-ICR and ESI-FT-Orbitrap spectra 1.7 Separation coupled to mass spectrometry 1.7.1 GC/MS and LC/MS 1.7.2 MS/MS 1.8 Interpreting the spectrum of an unknown 1.9 Internet 1.10 Bibliography 1.11 Problems 1.12 Tables of data Chapter 2: Ultraviolet and visible spectra 2.1 Introduction 2.2 Chromophores 2.3 The absorption laws 2.4 Measurement of the spectrum 2.5 Vibrational fine structure 2.6 Selection rules and intensity 2.7 Solvent effects 2.8 Searching for a chromophore 2.9 Definitions 2.10 Conjugated dienes 2.11 Polyenes and poly-ynes 2.12 Ketones and aldehydes; p®p* transitions 2.13 Ketones and aldehydes; n®p* transitions 2.14 a,b-Unsaturated acids, esters, nitriles and amides 2.15 Aromatic compounds 2.16 Quinones 2.17 Corroles, chlorins and porphyrins 2.18 Non-conjugated interacting chromophores 2.19 The effect of steric hindrance to coplanarity 2.20 Internet 2.21 Bibliography 2.22 Problems Chapter 3: Infrared spectra 3.1 Introduction 3.2 Preparation of samples and examination in an infrared spectrometer 3.3 Selection rules 3.4 The infrared spectrum 3.5 The use of the tables of characteristic group frequencies 3.6 Stretching frequencies of single bonds to hydrogen 3.7 Stretching frequencies of triple and cumulated double bonds 3.8 Stretching frequencies in the double-bond region 3.9 Characteristic vibrations of aromatic rings 3.10 Groups absorbing in the fingerprint region 3.11 Raman spectra 3.12 Internet 3.13 Bibliography 3.14 Problems 3.15 Correlation charts 3.16 Tables of data Chapter 4: 1D-NMR spectra 4.1 Nuclear spin and resonance 4.2 Taking a spectrum 4.3 The chemical shift 4.4 Factors affecting the chemical shift 4.4.1 The inductive effect 4.4.2 Anisotropy of chemical bonds 4.4.3 Polar effects of conjugation 4.4.4 Van der Waals forces 4.4.5 Isotope effects 4.4.6 Estimating a chemical shift 4.4.7 Hydrogen bonds 4.4.8 Solvent effects and temperature 4.5 Spin-spin coupling to 13C 4.5.1 13C-2H Coupling 4.5.2 13C-1H Coupling 4.5.3 13C-13C Coupling 4.6 1H-1H Coupling—multiplicity and coupling patterns 4.6.1 1H-1H Vicinal coupling (3JHH) 4.6.2 AB systems 4.6.3 1H-1H Geminal coupling (2JHH) 4.6.4 1H-1H Long-range coupling (4JHH and 5JHH) 4.6.5 Deviations from first-order coupling 4.7 1H-1H Coupling—the magnitude of coupling constants 4.7.1 The sign of coupling constants 4.7.2 Vicinal coupling (3JHH) 4.7.3 Geminal coupling (2JHH) 4.7.4 Long-range coupling (4JHH and 5JHH) 4.7.5 C–H coupling (1JCH, 2JCH and 3JCH) 4.8 Coupling from 1H and 13C to 19F and 31P 4.8.1 13C NMR spectra of compounds containing 19F and 31P 4.8.2 1H NMR spectra of compounds containing 19F and 31P 4.9 Relaxation and its consequences 4.9.1 Longitudinal relaxation 4.9.2 Transverse relaxation and exchange 4.10 Improving the NMR spectrum 4.10.1 The effect of changing the magnetic field 4.10.2 Solvent effects 4.10.3 Shift reagents 4.11 Spin decoupling 4.11.1 Simple spin decoupling 4.11.2 Difference decoupling 4.12 Identifying spin systems—1D-TOCSY 4.13 The nuclear Overhauser effect 4.13.1 Origins 4.13.2 NOE-Difference spectra 4.14 The rotating frame of reference 4.15 Assignment of CH3, CH2, CH and fully substituted carbons in 13C NMR 4.15.1 The Attached Proton Test (APT) 4.15.2 DEPT 4.16 Hints for structure determination using 1D-NMR 4.16.1 Carbon spectra 4.16.2 Proton spectra 4.17 Further information 4.17.1 The internet 4.17.2 Bibliography 4.18 Tables of data Chapter 5: 2D-NMR spectra 5.1 The basic pulse sequence 5.2 COSY 5.2.1 Cross peaks from scalar coupling 5.2.2 Polarisation transfer 5.2.3 The origin of cross peaks 5.2.4 Displaying COSY spectra 5.2.5 Interpreting COSY spectra 5.2.6 Axial peaks 5.2.7 Gradient pulses 5.2.8 DQF-COSY 5.2.9 Phase structure in COSY spectra 5.3 2D-TOCSY 5.4 NOESY 5.5 Cross-correlated 2D spectra identifying 1-bond connections 5.5.1 Heteronuclear Multiple Quantum Coherence (HMQC) spectra 5.5.2 Heteronuclear Single Quantum Coherence (HSQC) spectra 5.5.3 Examples of HSQC spectra 5.5.4 Non-uniform sampling (NUS) 5.5.5 Cross-peak detail—determining the sign of coupling constants 5.5.6 CLIP-HSQC 5.5.7 Deconvoluting a 1H spectrum using the HSQC spectrum 5.5.8 HSQC-TOCSY 5.5.9 HETCOR 5.6 Cross-correlated 2D spectra identifying 2- and 3-bond connections 5.6.1 The HMBC pulse sequence 5.6.2 HMBC spectra 5.7 Some specialised NMR techniques 5.7.1 ADEQUATE—identifying 13C-13C connections 5.7.2 INADEQUATE—identifying 13C-13C connections 5.7.3 HSQC-HECADE—measuring the sign and magnitude of 13C-1H coupling constants 5.8 Three- and four-dimensional NMR 5.9 Hints for structure determination using 2D-NMR 5.10 Bibliography 5.11 Table of information Chapter 6: Worked examples in structure determination 6.1 General approach 6.2 Simple worked examples using 13C NMR alone 6.3 Simple worked examples using 1H NMR alone 6.4 Simple worked examples using the combined application of MS, UV, IR and 1D-NMR spectroscopic methods 6.5 Simple worked examples using the combined application of MS, UV, IR and 1D-NMR and 2D-NMR spectroscopic methods Chapter 7: Problem sets 7.1 Chemical shift problems 7.2 1D-NMR chemical shift and coupling problems 7.3 Problems using all the spectroscopic methods Answers to problems 1-34 Index

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Book SynopsisTable of Contents1. Introduction 2. Introducing High-Resolution NMR 3. Practical Aspects of High-Resolution NMR 4. One-Dimensional Techniques 5. Introducing Two-Dimensional and Pulsed Field Gradient NMR 6. Correlations Through the Chemical Bond I: Homonuclear Shift Correlation 7. Correlations Through the Chemical Bond II: Heteronuclear Shift Correlation 8. Separating Shifts and Couplings: J-Resolved and Pure Shift Spectroscopy 9. Correlations Through Space: The Nuclear Overhauser Effect 10. Diffusion NMR Spectroscopy 11. Protein–Ligand Screening by NMR 12. Experimental Methods 13. Structure Elucidation and Spectrum Assignment

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Book SynopsisRepresents practical spectroscopic methodology, reviews, and information for organic materials, surfactants, and polymer spectra covering the ultraviolet, visible, near infrared, infrared, Raman and dielectric measurement techniques. This work includes description of interpretive and chemometric techniques used for spectral data analysis.Trade Review"This Handbook can provide a valuable reference for the daily activities of students and professionals working in modern molecular spectroscopy laboratories. Any one of them, when faced with a problem could take great comfort from the knowledge that this handbook wan on his bookshelf. The Handbook contains valuable material that shoul make a substantial contribution towards aiding spectral interpretation and data processing of organic spectra, polymers, and surfactants." --CURRENT ENGINEERING PRACTICE, HANDBOOK OF MACHINERY DYNAMICS, Vol.43, Nos 2-3; July-August-Septemeber, 2000; October-November-December, 2000 "the reviewers...highly recommend this book to analytical chemists, industrial chemists, and serious spectroscopists. Although the cost is high, the value is also high. Nowhere else is such a compilation of data, techniques, references, and general spectroscopic information available. Despite the minor flaws, this is a must-have book." --SPECTROSCOPY MAGAZINE

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Book SynopsisNuclear magnetic resonance (NMR) spectroscopy, a technique widely used for structure determination by chemists and biochemists, is based on the detection of tiny radio signals emitted by the nucleus of an atom when immersed in a strong magnetic field. Every chemical substance gives rise to a recognizable NMR signature closely related to its molecular structure. This comprehensive account adopts an accessible, pictorial approach to teach the fundamental principles of high resolution NMR. Mathematical formalism is used sparingly, and everyday analogies are used to provide insight into the physical behaviour of nuclear spins. The first three chapters set out the basic tools for understanding the rest of the book. Each of the remaining chapters provides a self- contained reference to a specific theme, for example spin echoes, and traces the way it influences our understanding of high resolution NMR methodology. Spin Choreography provides a clear and an authoritative introduction to the funTable of Contents1. Energy levels ; 2. Vector model ; 3. Product operator formalism ; 4. Spin echoes ; 5. Soft radiofrequency pulses ; 6. Separating the wheat from the chaff ; 7. Broadband decoupling ; 8. Two-dimensional spectroscopy ; 9. Nuclear Overhauser effect ; 10. In defence of noise ; 11. Water ; 12. Measurement of coupling constants

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Book SynopsisThis is the first book devoted to the use of X-ray beam techniques to study magnetic properties of materials. It covers both experimental and theoretical issues. The three main topics are dichroism, elastic scattering (both non-resonant and resonant diffraction) and spectroscopy.Trade ReviewThis book provides a thorough introduction to both experimental and theretical issues that arise in investigations of materials using the methods of X-ray scattering and absorption * Zeitschrift fur Kristallographie *this monograph, addressing researchers in the field in an elegant, civilised but unpretentious and occasionally idiosyncratic style and vocabulary, sets a high standard for a proposed series on synchrotron radiation * Contemporary Physics Vol. 38 No.5 1997 *Firstly, it is suitable for anyone who would like to become acquainted with a new field of spectroscopy that has made sensational progress over the past decade and, secondly, it is a valuable reference book for those who are already familiar with the techniques... The first part incorporates a great deal of recent work along with many useful tips for the experimentalist and will be readily appreciated by the non-specialist reader... The strength and merit of this book is that both experimental and theoretical issues have been addressed and have been skilfully interwoven. In addition, although magnetic scattering is in the early stages of development, the book establishes a foundation on which further research can be built. * Journal of Synchrotron Radiation, vol. 5, part 3, May 1998 *It must surely play a part in raising the awareness of researchers in magnetism in the potential value of synchrotron-based techniques. The book is suitable for graduate students and researchers with an interest in magnetic materials and for professionals who wish to consider the use of synchrotron radiation in their research... It is surely an indispensable item for the university and the institutional library. * Journal of Synchrotron Radiation, vol. 5, part 3, May 1998 *Table of Contents1. Introductory survey ; 2. Non-resonant magentic X-ray diffraction from antiferromagnets ; 3. Non-resonant magnetic diffraction from ferromagnets ; 4. Magnetic X-ray dichroism ; 5. Resonant X-ray diffraction from antiferromagnets ; 6. Resonant magnetic X-ray diffraction from ferromagnets ; 7. Compton scattering ; 8. Theoretical framework ; Appendix ; Index

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Book SynopsisThe renowned Oxford Chemistry Primer series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today''s students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. Moreover, cutting-edge examples and applications throughout the texts show the relevance of the chemistry being described to current research and industry. The learning features provided, including questions at the end of every chapter and online multiple-choice questions, encourage active learning and promote understanding. Furthermore, frequent diagrams, margin notes, further reading, and glossary definitions all help to enhance a student''s understanding of these essential areas of chemistry. Foundations of Molecular Structure Determination covers a range of common spectroscopic and dTable of Contents1. Overview, energy levels and the electromagnetic spectrum ; 2. Rotational and vibrational spectroscopy ; 3. Electronic (ultraviolet-visible) absorption spectroscopy ; 4. Nuclear magnetic resonance spectroscopy ; 5. Mass spectrometry ; 6. X-ray diffraction and related methods

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Book SynopsisChemical imaging has a variety of applications for almost every facet of our daily lives, ranging from medical diagnosis and treatment to the study and design of material properties in new products. This book reviews the state of chemical imaging technology, identifies promising future developments and their applications, and more.Table of Contents1 Front Matter; 2 Executive Summary; 3 1 Introduction; 4 2 Utilizing Chemical Imaging to Address Scientific and Technical Challenges: Case Studies; 5 3 Imaging Techniques: State of the Art and Future Potential; 6 4 Committee Findings and Recommendations; 7 A Statement of Task; 8 B Committee Member Biographies; 9 C Guest Panelists; 10 D Acronyms and Abbreviations

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Book SynopsisThis book introduces the subject of impedance spectroscopy starting from fundamentals through to latest applications in areas such as ceramics, piezoelectric, sensors, agriculture, food quality control, medical diagnostics, cancer research, and so forth. Within the ambit of impedance spectroscopy, plots simulated for useful equivalent circuit models, design of sample holder, necessary precautions to be taken during measurement are described. It further discusses development of softwares for analysis of experimental data and choice of the most appropriate equivalent circuit model. All the materials are supported by problems, answers, appendices and references.Features: Includes fundamentals, equivalent circuit modeling and analysis of data related to impedance spectroscopy. Presents experimental measurements in a nuts-and-bolts approach. Includes derivation of expressions for some selected models and values of immittance functions as frequency oTable of Contents1. Basic Ideas. 2. Concept of Impedance Spectroscopy, Various Immittance Functions and Equivalent Circuit Representation. 3. Experimental Measurements. 4. Equivalent Circuit Models and Their Simulated Immittance Behaviors. 5. Analysis of Experimental Data. 6. Applications.

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Book SynopsisThis book offers concise information on the properties of polymeric materials, particularly those most relevant to physical chemistry and chemical physics. Extensive updates and revisions to each chapter include eleven new chapters on novel polymeric structures, reinforcing phases in polymers, and experiments on single polymer chains.Trade ReviewFrom the reviews of the second edition: "This edition of Physical Properties of Polymers Handbook is a mammoth undertaking with 63 chapters divided into nine parts and 100 distinguished contributors with affiliations in industry, academia, and governmental agencies. The objectives of the book are very ambitious. … The compilations of physical properties are very readable and, depending on one’s interests, range from the mundane and practical to the esoteric. … All in all, this is a very useful compendium and should have a place on every polymer scientist’s bookshelf." (George Christopher Martin, Journal of the American Chemical Society, Vol. 130 (3), 2008) "This handbook covers an enormous range of properties of polymeric materials, particularly those relevant to the areas of physical chemistry and chemical physics. … It is a reference work for researchers or advanced students studying polymeric materials. … The main goal of the book is to discuss and describe important results and modern developments. … If the reader … wishes to work in polymer applications or related areas, this is a good book to have available." (Christian Brosseau, Optics and Photonics News, February, 2008)Table of ContentsPreface to the Second Edition. -Preface to the First Edition. -STRUCTURE. -Chain Structures. -Names, Acronyms, Classes, and Structures of Some Important Polymers. -THEORY. -The Rotational Isomeric State Model. -Computational Parameters. -Theoretical Models and Simulations of Polymer Chains. -Scaling, Exponents, and Fractal Dimensions. -THERMODYNAMIC PROPERTIES. -Densities, Coefficients of Thermal Expansion, and Compressibilities of Amorphous Polymers. -Thermodynamic Properties of Proteins. -Heat Capacities of Polymers. -Thermal Conductivity. -Thermodynamic Quantities Governing Melting. -The Glass Temperature. -Sub-Tg Transitions. -Polymer-Solvent Interaction Parameter c. -Theta Temperatures. -Solubility Parameters. -Mark-Houwink-Staudinger-Sakurada Constants. -Polymers and Supercritical Fluids. -Thermodynamics of Polymer Blends. -SPECTROSCOPY. -NMR Spectroscopy of Polymers. -Broadband Dielectric Spectroscopy to Study the Molecular Dynamics of Polymers Having Different Molecular Architectures. -Group Frequency Assignments for Major Infrared Bands Observed in Common Synthetic Polymers. -Small Angle Neutron and X-Ray Scattering. -MECHANICAL PROPERTIES. -Mechanical Properties. -Chain Dimensions and Entanglement Spacings. -Temperature Dependences of the Viscoelastic Response of Polymer Systems. -Adhesives. -Some Mechanical Properties of Typical Polymer-Based Composites. -Polymer Networks and Gels. -Force Spectroscopy of Polymers: Beyond Single Chain Mechanics. -REINFORCING PHASES. -Carbon Black. -Properties of Polymers Reinforced with Silica. -Physical Properties of Polymer/Clay Nanocomposites. -Polyhedral Oligomeric Silsesquioxane (POSS). -Carbon Nanotube Polymer Composites: Recent Developments in Mechanical Properties. -Reinforcement Theories. -CRYSTALLINITY AND MORPHOLOGY. -Densities of Amorphous and Crystalline Polymers. -Unit Cell Information on Some Important Polymers. -Crystallization Kinetics of Polymers. -Block Copolymer Melts. -Polymer Liquid Crystals and Their Blends. -The Emergence of a New Macromolecular Architecture: 'The Dendritic State'. –Polyrotaxanes. -Foldamers: Nanoscale Shape Control at the Interface Between Small Molecules and High Polymers. -Recent Advances in Supramolecular Polymers. -ELECTRO-OPTICAL AND MAGNETIC PROPERTIES. -Conducting Polymers: Electrical Conductivity. -Conjugated Polymer Electroluminescence. -Magnetic, Piezoelectric, Pyroelectric, and Ferroelectric Properties of Synthetic and Biological Polymers. -Nonlinear Optical Properties of Polymers. -Refractive Index, Stress-Optical Coefficient, and Optical Configuration Parameter of Polymers. -RESPONSES TO RADIATION, HEAT, AND CHEMICAL AGENTS. -Ultraviolet Radiation and Polymers. -The Effects of Electron Beam and g-Irradiation on Polymeric Materials. –Flammability. -Thermal-Oxidative Stability and Degradation of Polymers. -Synthetic Biodegradable Polymers for Medical Applications. -Biodegradability of Polymers. -Properties of Photoresist Polymers. -Pyrolyzability of Preceramic Polymers. -OTHER PROPERTIES. -Surface and Interfacial Properties. -Acoustic Properties. -Permeability of Polymers to Gases and Vapors. –MISCELLANEOUS. –Definitions. -Units and Conversion Factors. -Subject Index

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Book SynopsisThe latest edition of a highly successful textbook, Mass Spectrometry, Third Edition provides students with a complete overview of the principles, theories and key applications of modern mass spectrometry. All instrumental aspects of mass spectrometry are clearly and concisely described: sources, analyzers and detectors.Trade Review"This is a great book for everyone in the field to keep handy." (CHOICE, April 2008) "Overview of the principles, theories, and key applications of modern mass spectrometry." (Materials and Corrosion, November 2007)Table of ContentsPreface xi Introduction 1 Principles 1 Diagram of a Mass Spectrometer 4 History 5 Ion Free Path 10 1 Ion Sources 15 1.1 Electron Ionization 15 1.2 Chemical Ionization 17 1.2.1 Proton transfer 19 1.2.2 Adduct formation 21 1.2.3 Charge-transfer chemical ionization 21 1.2.4 Reagent gas 22 1.2.5 Negative ion formation 25 1.2.6 Desorption chemical ionization 27 1.3 Field Ionization 28 1.4 Fast Atom Bombardment and Liquid Secondary Ion Mass Spectrometry 29 1.5 Field Desorption 31 1.6 Plasma Desorption 32 1.7 Laser Desorption 33 1.8 Matrix-Assisted Laser Desorption Ionization 33 1.8.1 Principle of MALDI 33 1.8.2 Practical considerations 36 1.8.3 Fragmentations 39 1.8.4 Atmospheric pressure matrix-assisted laser desorption ionization 39 1.9 Thermospray 41 1.10 Atmospheric Pressure Ionization 42 1.11 Electrospray 43 1.11.1 Multiply charged ions 46 1.11.2 Electrochemistry and electric field as origins of multiply charged ions 48 1.11.3 Sensitivity to concentration 50 1.11.4 Limitation of ion current from the source by the electrochemical process 51 1.11.5 Practical considerations 54 1.12 Atmospheric Pressure Chemical Ionization 55 1.13 Atmospheric Pressure Photoionization 56 1.14 Atmospheric Pressure Secondary Ion Mass Spectrometry 61 1.14.1 Desorption electrospray ionization 61 1.14.2 Direct analysis in real time 62 1.15 Inorganic Ionization Sources 65 1.15.1 Thermal ionization source 65 1.15.2 Spark source 67 1.15.3 Glow discharge source 68 1.15.4 Inductively coupled plasma source 69 1.15.5 Practical considerations 71 1.16 Gas-Phase Ion-Molecule Reactions 72 1.17 Formation and Fragmentation of Ions: Basic Rules 76 1.17.1 Electron ionization and photoionization under vacuum 77 1.17.2 Ionization at low pressure or at atmospheric pressure 77 1.17.3 Proton transfer 77 1.17.4 Adduct formation 78 1.17.5 Formation of aggregates or clusters 79 1.17.6 Reactions at the interface between source and analyser 79 2 Mass Analysers 85 2.1 Quadrupole Analysers 88 2.1.1 Description 88 2.1.2 Equations of motion 91 2.1.3 Ion guide and collision cell 96 2.1.4 Spectrometers with several quadrupoles in tandem 98 2.2 Ion Trap Analysers 100 2.2.1 The 3D ion trap 100 2.2.2 The 2D ion trap 117 2.3 The Electrostatic Trap or ‘Orbitrap’ 122 2.4 Time-of-Flight Analysers 126 2.4.1 Linear time-of-flight mass spectrometer 126 2.4.2 Delayed pulsed extraction 129 2.4.3 Reflectrons 131 2.4.4 Tandem mass spectrometry with time-of-flight analyser 134 2.4.5 Orthogonal acceleration time-of-flight instruments 139 2.5 Magnetic and Electromagnetic Analysers 143 2.5.1 Action of the magnetic field 143 2.5.2 Electrostatic field 144 2.5.3 Dispersion and resolution 145 2.5.4 Practical considerations 146 2.5.5 Tandem mass spectrometry in electromagnetic analysers 149 2.6 Ion Cyclotron Resonance and Fourier Transform Mass Spectrometry 157 2.6.1 General principle 157 2.6.2 Ion cyclotron resonance 159 2.6.3 Fourier transform mass spectrometry 159 2.6.4 MSn in ICR/FTMS instruments 164 2.7 Hybrid Instruments 164 2.7.1 Electromagnetic analysers coupled to quadrupoles or ion trap 165 2.7.2 Ion trap analyser combined with time-of-flight or ion cyclotron resonance 166 2.7.3 Hybrids including time-of-flight with orthogonal acceleration 167 3 Detectors and Computers 175 3.1 Detectors 175 3.1.1 Photographic plate 176 3.1.2 Faraday cup 176 3.1.3 Electron multipliers 177 3.1.4 Electro-optical ion detectors 181 3.2 Computers 182 3.2.1 Functions 183 3.2.2 Instrumentation 183 3.2.3 Data acquisition 183 3.2.4 Data conversion 186 3.2.5 Data reduction 186 3.2.6 Library search 186 4 Tandem Mass Spectrometry 189 4.1 Tandem Mass Spectrometry in Space or in Time 189 4.2 Tandem Mass Spectrometry Scan Modes 192 4.3 Collision-Activated Decomposition or Collision-Induced Dissociation 195 4.3.1 Collision energy conversion to internal energy 196 4.3.2 High-energy collision (keV) 198 4.3.3 Low-energy collision (between 1 and 100 eV) 199 4.4 Other Methods of Ion Activation 199 4.5 Reactions Studied in MS/MS 202 4.6 Tandem Mass Spectrometry Applications 204 4.6.1 Structure elucidation 205 4.6.2 Selective detection of target compound class 207 4.6.3 Ion–molecule reaction 210 4.6.4 The kinetic method 211 5 Mass Spectrometry/Chromatography Coupling 217 5.1 Elution Chromatography Coupling Techniques 218 5.1.1 Gas chromatography/mass spectrometry 219 5.1.2 Liquid chromatography/mass spectrometry 221 5.1.3 Capillary electrophoresis/mass spectrometry 228 5.2 Chromatography Data Acquisition Modes 228 5.3 Data Recording and Treatment 230 5.3.1 Data recording 230 5.3.2 Instrument control and treatment of results 232 6 Analytical Information 243 6.1 Mass Spectrometry Spectral Collections 243 6.2 High Resolution 245 6.2.1 Information at different resolving powers 249 6.2.2 Determination of the elemental composition 251 6.3 Isotopic Abundances 251 6.4 Low-mass Fragments and Lost Neutrals 257 6.5 Number of Rings or Unsaturations 258 6.6 Mass and Electron Parities, Closed-shell Ions and Open-shell Ions 259 6.6.1 Electron parity 259 6.6.2 Mass parity 259 6.6.3 Relationship between mass and electron parity 260 6.7 Quantitative Data 260 6.7.1 Specificity 260 6.7.2 Sensitivity and detection limit 262 6.7.3 External standard method 264 6.7.4 Sources of error 265 6.7.5 Internal standard method 266 6.7.6 Isotopic dilution method 268 7 Fragmentation Reactions 273 7.1 Electron Ionization and Fragmentation Rates 273 7.2 Quasi-Equilibrium and RRKM Theory 275 7.3 Ionization and Appearance Energies 279 7.4 Fragmentation Reactions of Positive Ions 280 7.4.1 Fragmentation of odd-electron cations or radical cations (OE•+) 280 7.4.2 Fragmentation of cations with an even number of electrons (EE+) 286 7.4.3 Fragmentations obeying the parity rule 288 7.4.4 Fragmentations not obeying the parity rule 291 7.5 Fragmentation Reactions of Negative Ions 291 7.5.1 Fragmentation mechanisms of even electron anions (EE–) 292 7.5.2 Fragmentation mechanisms of radical anions (OE•−) 293 7.6 Charge Remote Fragmentation 293 7.7 Spectrum Interpretation 294 7.7.1 Typical ions 296 7.7.2 Presence of the molecular ion 296 7.7.3 Typical neutrals 296 7.7.4 A few examples of the interpretation of mass spectra 298 8 Analysis of Biomolecules 305 8.1 Biomolecules and Mass Spectrometry 305 8.2 Proteins and Peptides 306 8.2.1 ESI and MALDI 307 8.2.2 Structure and sequence determination using fragmentation 309 8.2.3 Applications 324 8.3 Oligonucleotides 342 8.3.1 Mass spectra of oligonucleotides 343 8.3.2 Applications of mass spectrometry to oligonucleotides 346 8.3.3 Fragmentation of oligonucleotides 351 8.3.4 Characterization of modified oligonucleotides 355 8.4 Oligosaccharides 357 8.4.1 Mass spectra of oligosaccharides 358 8.4.2 Fragmentation of oligosaccharides 360 8.4.3 Degradation of oligosaccharides coupled with mass spectrometry 367 8.5 Lipids 371 8.5.1 Fatty acids 373 8.5.2 Acylglycerols 376 8.5.3 Bile acids 382 8.6 Metabolomics 386 8.6.1 Mass spectrometry in metabolomics 387 8.6.2 Applications 388 9 Exercises 403 Questions 403 Answers 415 Appendices 437 1 Nomenclature 437 1.1 Units 437 1.2 Definitions 437 1.3 Analysers 438 1.4 Detection 439 1.5 Ionization 440 1.6 Ion types 441 1.7 Ion–molecule reaction 442 1.8 Fragmentation 442 2 Acronyms and abbreviations 442 3 Fundamental Physical Constants 446 4A Table of Isotopes in Ascending Mass Order 447 4B Table of Isotopes in Alphabetical Order 452 5 Isotopic Abundances (in %) for Various Elemental Compositions CHON 457 6 Gas-Phase Ion Thermochemical Data of Molecules 467 7 Gas-Phase Ion Thermochemical Data of Radicals 469 8 Literature on Mass Spectrometry 470 9 Mass Spectrometry on Internet 476 Index 479

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Book SynopsisPrinciples and Practices of Polymer Mass Spectrometry helps readers acquire the skills necessary for selecting the optimal methods, handling samples, analyzing the data, and interpreting the results of the mass spectrometry of polymers. This guide describes the principles of polymer MS and best practices in polymer characterization.Trade Review"The primary audience will be beginning graduate students (or advanced undergraduates) who are starting research on MALDI of polymers. It will also be of great value for industrial chemists who work in polymer MALDI. I would also recommend it to polymer chemists who want to understand how MALDI can help them in their work." (Anal Bioanal Chem, 2010) "Overall, I highly recommend this book for any polymer scientist with access to MALDI-MS as it will aid in the better planning of experiments and interpretation of the results. This is definitely a book for beginning graduate students in the field and for MS facility managers who are constantly exposed to a wide variety of samples, with synthetic polymers being among them." (JACS, 2010)Table of ContentsPreface. Contributors. 1. Overview of MS and MALDI MS for polymer analysis. 2. Ionization Processes and Detection in MALDI-MS of Polymers. 3. Time-of-flight MS for polymer characterization. 4. Polymer analysis with Fourier Transform mass spectrometry. 5. Tandem MS and polymer ion dissociation. 6. Conventional MALDI sample preparation. 7. Solvent-free MALDI sample preparation. 8. MALDI MS for the quantitative determination of polymer molecular mass distribution. 9. New approaches to data reduction in MS. 10. MALDI MS/MS for polymer structure and composition analysis. 11. LC-MALDI MS for polymer characterization. 12. MALDI MS applications for industrial polymers.

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Book SynopsisThis 1972 monograph is devoted to the analysis and interpretation of the infrared and Raman spectra of solid compounds, frequently used for their identification and characterization. It was thought unsatisfactory to analyse such spectra by the theory applicable to gas-phase samples, though this was frequently done. Furthermore, the results obtained by far infrared and laser Raman spectrometers, which detect the movement of atoms and/or molecules as a whole, had no gas-phase analogy. A separate approach to solid state vibrational spectra was therefore proposed within this volume. Dr Sherwood describes the solid state physics of vibrational spectroscopy and extends it to the more complex structures of low symmetry. He assumes an understanding of the infrared and Raman spectra of gases.Table of ContentsPreface; 1. Introduction; 2. Phonons and lattice vibrations; 3. The application of group theory to a crystal lattice; 4. The interaction of radiation with a crystal; 5. Second order vibrational spectroscopic features; Appendix: character tables; References; Glossary of terms; Index.

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Book SynopsisA physically intuitive approach to nonlinear spectroscopy with practical applications through the modern lens of quantum information and wavepackets, and accompanied by MATLAB code.

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Book SynopsisProviding proven strategies for solutions to research, development, and production dilemmas, this reference details the instrumentation and underlying principles for utilization of electron microscopy in the manufacturing, automotive, semiconductor, photographic film, pharmaceutical, chemical, mineral, forensic, glass, and pulp and paper industries. The book covers safety, calibration, and troubleshooting techniques, as well as methods in sample preparation and image collection, interpretation, and analysis. It includes contributions from microscopy experts based at major corporations and scientists from universities and major research centers.Table of ContentsINDUSTRIAL SECTORSAutomotive Applications of Scanning and Transmission Electron Microscopy, W.T. Donlon, A.E. Chen, J.W. Hangas, and M.C. Paputa PeckElectron Microscopy for the Pulp and Paper Industry, D.R. RothbardApplications of Electron Microscopy in Photographic Science and Technology,V.P. OleshkoCharacterization of Petroleum Catalysts by Electron Microscopy, I.Y. ChanApplications of Electron Microscopy for Defect Understanding in the Glass Industry, P.M. FennApplications of Electron Microscopy in the Semiconductor Industry: Challenges and Solutions for Specimen Preparation, Y. Xu and C. SchwappachElectron Imaging in Pharmaceutical Research and Development, S.J. Samuelsson and J.A. FagerlandElectron Microscopy in Mineral Processing, C.M. MacRae and P.R. MillerContributions of Microscopy to Advanced Industrial Materials and Processing, T. Malis, G.J. C. Carpenter, G.A. Botton, S. Dionne, and M.W. PhaneufMuseum Applications for SEM and X-Ray Microanalysis, A.V. KlausForensic Applications of Scanning Electron Microscopy with X-Ray Analysis, T.A. KubicINDUSTRIALLY IMPORTANT MATERIALSElectron Microscopy on Pigments, U. KolbPolymer Characterization Using Electron Microscopes, N. Yao and E.H. KungCarbon Nanotube and Its Application to Nanoelectronics, W.B. Choi and Y.H. LeeElectron Microscopy of Ceramic Materials, K.E. Sickafus and T.E. MitchellApplications of Electron Microscopy to High-Temperature Superconductors and Related Materials, J. Jiang and C. ChenCharacterization of CVD Diamond Defects by UHREM, D. DorignacStructure-Function Relationships of Mycorrhizal Symbioses Revealed by Electron Microscopy, H.B. Massicotte, L.H. Melville, and R.L. PetersonOTHER TOPICSPrinciples of Electron Microscopy and Related Techniques, D.J. SmithDigital Imaging in Electron Microscopy, L. Liang and Z.R. LiElectron Energy-Loss Spectroscopy and Energy-Filtered Electron Imaging, Z.L. WangElectron Crystallography: Structure Determination by HREM and Electron Diffraction, X. Zou and S. Hovm/llerIndex

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Book SynopsisThis work describes experimental techniques using laser spectroscopy and presents specific practical applications for this technology in many fields, including physics, engineering, chemistry, medicine and bioscience. The general spectroscopic features of molecules are delineated; transition metal and rare earth complexes are examined; and transition selection rules are explained.Trade Review". . .presents[s] a collection of interesting applications for laser spectroscopy with a particular concentration on unusual applications. There are nearly 100 examples described. . . .of most interest to chemists, but there is much in [the book] that applies to physicists and engineers as well. "---Journal of the American Chemical SocietyTable of ContentsInteraction of light with molecules - an overview; components of spectroscopic instrumentation; adsorption-based laser spectroscopy; photoluminescence intensity-based laser spectroscopy; photoluminescence life-time-based laser spectroscopy; laser Raman spectroscopy; selected applications of laser spectroscopy; selected spectroscopic techniques; lasers and emerging spectroscopies.

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Book SynopsisThis author's second volume introduces basic principles of interpreting infrared spectral data, teaching its readers to make sense of the data coming from an infrared spectrometer. Contents include spectra and diagnostic bands for the more common functional groups as well as chapters on polyester spectra and interpretation aids.Discussions include: Science of infrared interpretation Light and molecular vibrations How and why molecules absorb infrared radiation Peak heights, intensities, and widths Hydrocarbons, carbonyl groups, and molecules with C-N bonds Polymers and inorganic molecules The use of atlases, library searching, spectral subtraction, and the Internet in augmenting interpretation Each chapter presents an introduction to the nomenclature and structure of a specific functional group and proceeds with the important diagnostic bands for each group. Infrared Spectral Interpretation serves both novices and experienced practitioners in this field.The author maintains a website and blog with supplemental material. His training course schedule is also available online.Trade Review"This clearly written book…is a useful addition…Smith's approach is practical; a short theoretical introduction is followed by chapters on compounds…plus a good index and glossary. A generous assortment of illustrations of spectra and problems with solutions…"-Choice Magazine, June 1999Table of ContentsThe Basics of Infrared Interpretation. Hydrocarbons. Functional groups Containing the C-O Bond. The Carbonyl Functional Group. Organic Nitrogen Compounds. Organic Compounds Containing Sulfur, Silicon, and Halogens. Inorganic Compounds. Infrared Spectra of Polymers. Spectral Interpretation Aids. Appendix I Answers to Problem Spectra. Appendix II Group Wavenumber Tables. Glossary. Index.

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Book SynopsisThe purpose of this book is to collect into one volume the research done on the mass spectrometry of peptides. It balances a range of topics including theory, instrumentation, analytical techniques, and biological applications. The scope of the work contains three major sections: ionization methods, instrumental developments, and analysis of peptides. It describes 252Cf plasma desorption and laser-induced multiphoton ionization methodology. This exciting resource covers many new areas, including continuous flow FAB, quantification of human neuropeptides, and peptide mapping. It also discusses Q-FTMS, cross-links, and metal ions.Table of ContentsINTRODUCTION. PREFACE. SECTION I: IONIZATION METHODS. 252Cf PLASMA DESORPTION METHODS. Fundamental Aspects of Protein Mass Spectrometry Using 252-Californium Plasma Desorption. Plasma Desorption Mass Spectrometry of Peptides and Peptide Conjugates. The Analysis of Synthetic Peptides and Proteins. Analysis of Peptides and Proteins by Plasma Desorption Mass Spectrometry. LASER-INDUCED MULTIPHOTON IONIZATION. Laser-Induced Multiphoton Ionization of Peptides in Supersonic Beam/Mass Spectrometry. SECTION II: INSTRUMENTAL DEVELOPMENTS. MAGNETIC SECTOR INSTRUMENTS. The Molecular Weight Determination of Large Peptides by Magnetic Sector Mass Spectrometry. Four-Sector Tandem Mass Spectrometry of Peptides. QUADRUPOLE FOURIER TRANSFORM. Peptide Sequence Analysis by Triple Quadrupole and Quadrupole Fourier Transform Mass Spectrometry. TIME-OF-FLIGHT INSTRUMENTS. Correlation Measurements in a Reflecting Time-of-Flight Mass Spectrometer. SECTION III: ANALYSIS OF PEPTIDES. SAMPLE PREPARATION. Sample Preparation and Matrix Selection for Analysis of Peptides by FAB and Liquid SIMS. LC-MS ANALYSIS. On-Line Methods for Peptide Analysis by Continuous-Flow FABMS. ANALYSIS OF PROTEIN PRODUCTS. Investigation of Amino Acid Mutation by High Resolution Mass Spectrometry. The Mass Spectral Analysis of Hemoglobin Variants. PROTEIN CROSS-LINKAGES. Detection and Location of Disulfide Bonds in Proteins by Mass Spectrometry. PEPTIDE INTERACTIONS WITH METAL IONS. Tandem Mass Spectrometry for Determining the Amino Acid Sequence of Cyclic Peptides and for Assessing Interactions of Peptides and Metal Ions. PERMETHYLATED PEPTIDES. Analysis of Permethylated Peptides by Mass Spectrometry. NEUROPEPTIDES. Applications of Mass Spectrometry for Characterization of Neuropeptides. Peptide-Charting Applied to Studies of Precursor Processing in Endocrine Tissues. QUANTIFICATION OF NEUROPEPTIDES. Mass Spectrometry of Biologically Important Neuropeptides

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Book SynopsisInductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) has been widely adopted as a routine analytical technique for elemental analysis in both industry and academia. However, spectral interference can be a major problem, particularly with such line-rich elements as the rare earth elements. An Atlas of High Resolution Spectra of Rare Earth Elements, which comes complete with a CD of spectra in full colour, is a reference source suitable for all analytical spectroscopists. Using some previously unpublished high resolution spectra, this atlas enables users of ICP-AES to select the best lines of any single rare earth element matrix. Clear instructions for the use of the accompanying CD are provided, which allows all adjacent interferent spectral profiles to be displayed and superimposed. Up-to-date and informative, this unique book will be welcomed as a practical and indispensable reference guide by all those who use ICP-AES for the analysis of rare earth elements.Trade Review"... a valuable reference guide ..." * Journal of the American Chemical Society, Vol 122, No 18, p 4534 *"... a very useful book to have in the laboratory ..." * Talanta, 52, 2000, 955 *"... a helpful aid to any user of ICP with a special interest in the rare earth elements ..." * Journal of Analytical Atomic Spectrometry, 2000, 15 *"... a welcome addition to the current literature ... should occupy a space in any reference library." * Trends in Analytical Chemistry, Vol 20, No 1, 2001 *"... valuable and indispensable ..." * Fresenius Journal of Analytical Chemistry, 3/2000, M97-M98 *"... I ... recommend in terms of its coverage, and clarity of presentation. The inclusion of the coincidence profiles on compact disk is an additional and useful bonus." * www.rsc.org/anlreview/2000 *Table of ContentsI Introduction: Overview; Interpretation; Apparatus and Procedures; II Reference; III Coincidence Tables: Selected prominent lines of REEs and their detection limits and BECs; Tables of interfering lines; Tables of coincidence parameters; Tables of recommended analysis lines with matrices of REEs; IV Spectral Coincidence Profiles; Appendix.

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Book SynopsisThis unique book demonstrates the current status, and future potential, of millimetre wavelength (MMW) spectrometry as a means of quantitative analysis of gaseous mixtures. After outlining the spectroscopic theory required, the authors then go on to discuss the components of an MMW cavity spectrometer, concentrating on compact, automatic, low-cost instruments. Other topics covered include solid state MMW sources with both cryogenically cooled and room temperature detectors. Post-detector signal processing, smoothing, filtering and spectral profile fitting are also discussed. The book concludes with a look at the future of the technique, in areas such as millimetre wave-over-fibre technology. Quantitative Millimetre Wavelength Spectrometry will be welcomed by practitioners in both industry and academia.Table of ContentsInteraction of Millimetre Wavelength Electromagnetic Radiation with Gases; The Components of a MMW Cavity Spectrometer for Quantitative Measurements; Practical Spectral Sources and Detectors for Analytical Spectrometry; The Quantitative Analysis of Gas Mixtures; Cavity Spectrometer Designs and Applications; A Practical Frequency Modulated Spectrometer and its Application to Quantitative Analysis; The Future for Quantitative Millimetre Wavelength Spectrometry; Subject Index.

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Book SynopsisThis second edition details new and updated chapters on key methodologies and breakthroughs in the mass spectrometry imaging (MSI) field. Chapters guide readers through nano-Desorption Electrospray Ionisation (nDESI), Matrix Assisted Laser Desorption Ionisation-2 (MALDI-2), Laser Ablation - Inductively Coupled Plasma-Mass Spectrometry (LA-ICP-MS) ,Imaging Mass Cytometry (IMC) with a variety of diverse samples including eye tissue, crop analysis, 3D cell culture models, and counterfeit goods analysis. Written in the format of the highly successfulMethods in Molecular Biologyseries, each chapter includes an introduction to the topic, lists necessary materials and reagents, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge,Imaging Mass Spectrometry: Methods and Protocols, Second Edition aims to be auseful and practical guide to new researchersand experts looking to expand their knowledge.Table of Contents1. MALDI and Trace Metal Analysis in Age Related Macular Degeneration Joshua Millar, Susan Campbell, Catherine Duckett, Sarah Doyle, and Laura M. Cole 2. HistoSnap: a novel software tool to extract m/z-specific images from large MSHC datasets K. Verheggen, N. Bhattacharya, M. Verhaert, B. Goossens, R. Sciot, and P. Verhaert 3. Spatially resolved quantitation of drug in skin equivalents using Mass Spectrometry Imaging (MSI) Cristina Russo and Malcolm R. Clench 4. Update DESI Mass Spectrometry Imaging (MSI) Emmanuelle Claude, Mark Towers, and Emrys Jones 5. Update Liquid Extraction Surface Analysis Mass Spectrometry Imaging of Denatured Intact Proteins Emma K. Sisley, James W. Hughes, Oliver J. Hale, and Helen J. Cooper 6. MALDI MS imaging of cucumbers Robert Bradshaw 7. The adaptation of the QV600 LLI Milli-Fluidics System to house ex vivo gastrointestinal tissue suitable for drug absorption and permeation studies, utilising MALDI-MSI and LC-MS/MS Chloe E. Spencer, Catherine J Duckett, Stephen Rumbelow, and Malcolm R Clench 8. Ambient Mass Spectrometry Imaging by Water-Assisted Laser Desorption Ionization For Ex Vivo And In Vivo Applications Nina Ogrinc, Paul Chaillou, Alexandre Kruszewski, Cristian Duriez, Michel Salzet, and Isabelle Fournier 9. Cytological cytospin preparation for the spatial proteomics analysis of thyroid nodules using MALDI-MSI Isabella Piga, Fabio Pagni, Fulvio Magni, and Andrew Smith 10. Matrix effects free imaging of thin tissue sections using pneumatically assisted nano-DESI MSI Leonidas Mavroudakis and Ingela Lanekoff 11. Laser Ablation Inductively Coupled Plasma Mass Spectrometry Imaging of Plant Materials Joseph Ready and Callie Seaman 12. Sample Preparation for Metabolite Detection in Mass Spectrometry Imaging Maria K. Andersen, Marco Giampà, Elise Midtbust, Therese S. Høiem, Sebastian Krossa, and May-Britt Tessem 13. Multimodal Mass Spectrometry Imaging of an Aggregated 3D Cell Culture Model Lucy Flint 14. Visualization of Small Intact Proteins in Breast Cancer FFPE tissue Marco Giampà, Maria K. Andersen, Sebastian Krossa, Vanna Denti, Andrew Smith, and Siver Andreas Moestue 15. Negative Ion-mode N-glycan Mass Spectrometry Imaging by MALDI-2-TOF-MS Jens Soltwisch and Bram Heijs 16. MS1-based data analysis approaches for FFPE tissue imaging of endogenous peptide ions by mass spectrometry histochemistry (MSHC) Nivedita Bhattacharya, Konstantin Nagornov, Kenneth Verheggen, Marthe Verhaert, Raf Sciot, and Peter Verhaert 17. Mass Spectrometry Imaging: The Next Five Years Malcolm R. Clench and Laura M. Cole

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Book SynopsisThis book provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increasingly important in all areas of chemistry, biochemistry, and structural biology.The book can be used as a text for undergraduate and graduate students and as areference for researchers in academia and industry.Experimental methods and instrumentation are described with topics ranging from the most widely used methods (electronic and vibrational CD) to frontier areas such as nonlinear spectroscopy and photoelectron CD, as well as the theory of chiroptical methods and techniques for simulating chiroptical properties.Applications of chiroptical spectroscopy to problems in organic stereochemistry, inorganic stereochemistry, and biochemistry and structural biologyare alsodiscussed, and each chapter is written by one or more leading authorities with extensive experience in the field. Table of ContentsComprehensive Chiroptical Spectroscopy, Volume 2 PREFACE xi CONTRIBUTORS xiii PART I A HISTORICAL OVERVIEW 1 1 THE FIRST DECADES AFTER THE DISCOVERY OF CD AND ORD BY AIME COTTON IN 1895 3 Peter Laur PART II ORGANIC STEREOCHEMISTRY 37 2 SOME INHERENTLY CHIRAL CHROMOPHORES—EMPIRICAL RULES AND QUANTUM CHEMICAL CALCULATIONS 39 Marcin Kwit, Pawel Skowronek, Jacek Gawronski, Jadwiga Frelek, Magdalena Woznica, and Aleksandra Butkiewicz 3 ELECTRONIC CD OF BENZENE AND OTHER AROMATIC CHROMOPHORES FOR DETERMINATION OF ABSOLUTE CONFIGURATION 73 Tibor Kurtan, Sandor Antus, and Gennaro Pescitelli 4 ELECTRONIC CD EXCITON CHIRALITY METHOD: PRINCIPLES AND APPLICATIONS 115 Nobuyuki Harada, Koji Nakanishi, and Nina Berova 5 CD SPECTRA OF CHIRAL EXTENDED p-ELECTRON COMPOUNDS: THEORETICAL DETERMINATION OF THE ABSOLUTE STEREOCHEMISTRY AND EXPERIMENTAL VERIFICATION 167 Nobuyuki Harada and Shunsuke Kuwahara 6 ASSIGNMENT OF THE ABSOLUTE CONFIGURATIONS OF NATURAL PRODUCTS BY MEANS OF SOLID-STATE ELECTRONIC CIRCULAR DICHROISM AND QUANTUM MECHANICAL CALCULATIONS 217 Gennaro Pescitelli, Tibor Kurtan, and Karsten Krohn 7 DYNAMIC STEREOCHEMISTRY AND CHIROPTICAL SPECTROSCOPY OF METALLO-ORGANIC COMPOUNDS 251 James W. Canary and Zhaohua Dai 8 CIRCULAR DICHROISM OF DYNAMIC SYSTEMS: SWITCHING MOLECULAR AND SUPRAMOLECULAR CHIRALITY 289 Angela Mammana, Gregory T. Carroll, and Ben L. Feringa 9 ELECTRONIC CIRCULAR DICHROISM OF SUPRAMOLECULAR SYSTEMS 317 Cheng Yang and Yoshihisa Inoue 10 THE ONLINE STEREOCHEMICAL ANALYSIS OF CHIRAL COMPOUNDS BY HPLC-ECD COUPLING IN COMBINATION WITH QUANTUM-CHEMICAL CALCULATIONS 355 Gerhard Bringmann, Daniel Gotz, and Torsten Bruhn 11 DETERMINATION OF THE STRUCTURES OF CHIRAL NATURAL PRODUCTS USING VIBRATIONAL CIRCULAR DICHROISM 387 Prasad L. Polavarapu 12 DETERMINATION OF MOLECULAR ABSOLUTE CONFIGURATION: GUIDELINES FOR SELECTING A SUITABLE CHIROPTICAL APPROACH 421 Stefano Superchi, Carlo Rosini, Giuseppe Mazzeo, and Egidio Giorgio PART III INORGANIC STEREOCHEMISTRY 449 13 APPLICATIONS OF ELECTRONIC CIRCULAR DICHROISM TO INORGANIC STEREOCHEMISTRY 451 Sumio Kaizaki PART IV BIOMOLECULES 473 14 ELECTRONIC CIRCULAR DICHROISM OF PROTEINS 475 Robert W. Woody 15 ELECTRONIC CIRCULAR DICHROISM OF PEPTIDES 499 Claudio Toniolo, Fernando Formaggio, and Robert W. Woody 16 ELECTRONIC CIRCULAR DICHROISM OF PEPTIDOMIMETICS 545 Claudio Toniolo and Fernando Formaggio 17 CIRCULAR DICHROISM SPECTROSCOPY OF NUCLEIC ACIDS 575 Jaroslav Kypr, Iva Kejnovska, Klara Bednarova, and Michaela Vorlickova 18 ELECTRONIC CIRCULAR DICHROISM OF PEPTIDE NUCLEIC ACIDS AND THEIR ANALOGUES 587 Roberto Corradini, Tullia Tedeschi, Stefano Sforza, and Rosangela Marchelli 19 CIRCULAR DICHROISM OF PROTEIN–NUCLEIC ACID INTERACTIONS 615 Donald M. Gray 20 DRUG AND NATURAL PRODUCT BINDING TO NUCLEIC ACIDS ANALYZED BY ELECTRONIC CIRCULAR DICHROISM 635 George A. Ellestad 21 PROBING HSA AND AGP DRUG-BINDING SITES BY ELECTRONIC CIRCULAR DICHROISM 665 Miklos Simonyi 22 CONFORMATIONAL STUDIES OF BIOPOLYMERS, PEPTIDES, PROTEINS, AND NUCLEIC ACIDS. A ROLE FOR VIBRATIONAL CIRCULAR DICHROISM 707 Timothy A. Keiderling and Ahmed Lakhani 23 STRUCTURE AND BEHAVIOR OF BIOMOLECULES FROM RAMAN OPTICAL ACTIVITY 759 Laurence D. Barron and Lutz Hecht 24 OPTICAL ROTATION, ELECTRONIC CIRCULAR DICHROISM, AND VIBRATIONAL CIRCULAR DICHROISM OF CARBOHYDRATES AND GLYCOCONJUGATES 795 Tohru Taniguchi and Kenji Monde 25 ELECTRONIC CIRCULAR DICHROISM IN DRUG DISCOVERY 819 Carlo Bertucci and Marco Pistolozzi INDEX 843

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Book SynopsisWith contributions from leading international experts in the field, this book is dedicated to all facets of uremic toxins research, including low molecular weight solutes, protein-bound solutes, and middle molecules. Moreover, it covers everything from basic mass spectrometry research to the latest clinical findings and practices.Table of ContentsPREFACE ix CONTRIBUTORS xi SECTION 1: UREMIC TOXINS 1 1. Uremic Toxins: An Integrated Overview of Definition and Classification 3 Richard J. Glassock and Shaul G. Massry 2. Classification and a List of Uremic Toxins 13 Nathalie Neirynck, Rita De Smet, Eva Schepers, Raymond Vanholder, and Griet Glorieux 3. Analysis of Uremic Toxins with Mass Spectrometry 35 Toshimitsu Niwa SECTION 2: SELECTED UREMIC TOXINS 51 4. Indoxyl Sulfate 53 Toshimitsu Niwa 5. p-Cresyl Sulfate 77 Anneleen Pletinck, Raymond Vanholder, and Griet Glorieux 6. 3-Carboxy-4-methyl-5-propyl-2-furanpropionic Acid 87 Toshimitsu Niwa 7. Phenylacetic Acid 99 Anna Schulz and Joachim Jankowski 8. Homocysteine and Hydrogen Sulfide, Two Opposing Aspects in the Pathobiology of Sulfur Compounds in Chronic Renal Failure 109 Alessandra F. Perna and Diego Ingrosso 9. Guanidino Compounds 125 Sunny Eloot, Griet Glorieux, Peter Paul De Deyn, and Raymond Vanholder 10. Asymmetric Dimethylarginine 143 Vladimýr Teplan and Jaroslav Racek 11. Nicotinamide Metabolites 163 Boleslaw Rutkowski and Przemyslaw Rutkowski 12. Dicarbonyls (Glyoxal, Methylglyoxal, and 3-Deoxyglucosone) 177 Naila Rabbani and Paul J. Thornalley 13. Glucose Degradation Products in Peritoneal Dialysis 193 Monika Pischetsrieder and Sabrina Gensberger 14. Dinucleoside Polyphosphates 209 Joachim Jankowski and Vera Jankowski 15. Parathyroid Hormone 227 Shaul G. Massry and Miroslaw Smogorzewski 16. b2-Microglobulin 249 Suguru Yamamoto, Junichiro James Kazama, Hiroki Maruyama, Ichiei Narita, and Fumitake Gejyo 17. Cytokines 259 Bj€orn Anderstam, Bengt Lindholm, and Peter Stenvinkel 18. Free Immunoglobulin Light Chains 279 Gerald Cohen and Walter H. H€orl 19. Advanced Glycation Endproducts (AGEs) 293 Naila Rabbani and Paul J. Thornalley 20. Oxidized Albumin 305 Maurizio Bruschi, Giovanni Candiano, Laura Santucci, and Gian Marco Ghiggeri SECTION 3: THERAPEUTIC REMOVAL OF UREMIC TOXINS 315 21. Therapeutic Removal of Uremic Toxins by Hemodialysis 317 Tammy L. Sirich, Pavel Aronov, and Timothy W. Meyer 22. Therapeutic Removal of Uremic Toxins by Peritoneal Dialysis 331 Malgorzata Debowska, Elvia Garcýa-Lopez, Jacek Waniewski, and Bengt Lindholm 23. Therapeutic Removal of Uremic Toxins by Oral Sorbent 359 Toshimitsu Niwa INDEX 373

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Book SynopsisProvides comprehensive coverage of the interpretation of LCMSMS mass spectra of 1300 drugs and pesticides Provides a general discussion on the fragmentation of even-electron ions (protonated and deprotonated molecules) in both positive-ion and negative-ion modes This is the reference book for the interpretation of MSMS mass spectra of small organic molecules Covers related therapeutic classes of compounds such as drugs for cardiovascular diseases, psychotropic compounds, drugs of abuse and designer drugs, antimicrobials, among many others Covers general fragmentation rule as well as specific fragmentation pathways for many chemical functional groups Gives an introduction to MS technology, mass spectral terminology, information contained in mass spectra, and to the identification strategies used for different types of unknowns Trade Review'The present book is a needed contribution in the field of tandem mass spectrometry of low molecular weight compounds in particular for the fragmentation of even electron ions formed by popular soft ionization techniques such as electrospray. The five chapters provide comprehensive insights of MS/MS spectra acquisition, characterization and interpretation. It is a unique resource to any scientist using LCMS/ MS for qualitative and quantitative analysis of drugs and pesticides.' Analytical and Bioanalytical Chemistry, November 2017Table of ContentsPreface xi Abbreviations xiii 1 Introduction to LC-MS Technology 1 1.1 Introduction 2 1.2 Analyte Ionization: Ion Sources 3 1.2.1 Electron Ionization 3 1.2.2 Chemical Ionization 7 1.2.3 Atmospheric-Pressure Ionization 13 1.2.4 Electrospray Ionization 16 1.2.5 Atmospheric-Pressure Chemical Ionization and Photoionization 20 1.2.6 Other Ionization Techniques 26 1.3 Mass Spectrometer Building Blocks 28 1.3.1 Introduction 28 1.3.2 Quadrupole Mass Analyzer 32 1.3.3 Ion-Trap Mass Analyzer 33 1.3.4 Time-of-Flight Mass Analyzer 34 1.3.5 Orbitrap Mass Analyzer 35 1.3.6 Other Mass Analyzers 36 1.4 Tandem Mass Spectrometry 37 1.4.1 Introduction 37 1.4.2 Tandem Quadrupole Instruments 39 1.4.3 Ion-Trap Instruments 40 1.4.4 Quadrupole-Linear Ion-Trap Hybrid Instruments 41 1.4.5 Quadrupole-Time-of-Flight Hybrid Instruments 41 1.4.6 Orbitrap Hybrid Instruments for MS-MS and MSn 41 1.4.7 Other Instruments for MS-MS and MSn 42 1.4.8 MS-MS and MSn in the Analysis of Drugs and Pesticides 43 1.5 Data Acquisition 43 1.5.1 Introduction 43 1.5.2 Selected-Ion and Selected-Reaction Monitoring 44 1.5.3 Structure-Specific Screening: Precursor-Ion and Neutral-Loss Analysis 44 1.5.4 Data-Dependent Acquisition 45 1.5.5 Data-Independent Acquisition 45 1.6 Selected Literature on Mass Spectrometry 45 2 Interpretation of Mass Spectra 55 2.1 Mass Spectrometry: A Nuclear Affair 55 2.2 Isomers, Isotones, Isobars, Isotopes 56 2.3 Masses in MS 58 2.4 Isotopes and Structure Elucidation 60 2.5 Nitrogen Rule, Ring Double-Bond Equivalent, and Hydrogen Rule 61 2.6 Resolving Power, Resolution, Accuracy 63 2.7 Calculating Elemental Composition from Accurate m/z 66 2.8 Protonated and Deprotonated Molecules and Adduct Ions 67 3 Fragmentation of Even-Electron Ions 71 3.1 Introduction 72 3.2 Analyte Ionization Revisited 73 3.3 Fragmentation of Odd-electron Ions 74 3.4 High-energy Collisions of Protonated Molecules 76 3.4.1 General Aspects 77 3.4.2 Selected Examples 79 3.5 Fragmentation of Protonated Molecules 81 3.5.1 Singly-Charged Peptides 82 3.5.2 Protonated Small Molecules: Complementary Fragment Ions 83 3.5.3 Fragmentation of Peptides Revisited 86 3.5.4 Direct-Cleavage Reactions 89 3.5.5 Consecutive Small-Molecule Losses 89 3.5.6 Other Fragmentation Reactions 89 3.5.7 Loss of Radicals from Even-Electron Ions 91 3.5.8 Skeletal Rearrangements in Protonated Molecules 92 3.6 Characteristic Positive-ion Fragmentation of Functional Groups 94 3.6.1 Cleavages of C-C Bonds 94 3.6.2 Alcohols and Ethers 95 3.6.3 Aldehydes and Ketones 96 3.6.4 Carboxylic Acids and Esters 96 3.6.5 Amines and Quaternary Ammonium Compounds 98 3.6.6 Amides, Sulfonyl Ureas, and Carbamates 99 3.6.7 Compounds containing Phosphorus or Sulfur 101 3.6.8 Miscellaneous Compound Classes 101 3.7 Fragmentation of Deprotonated Molecules 102 3.7.1 High-Energy CID with NICI-Generated Deprotonated Molecules 102 3.7.2 General Aspects 102 3.7.3 Alcohols and Ethers 102 3.7.4 Carboxylic Acid and Esters 103 3.7.5 Amines 104 3.7.6 Amides and Ureas 104 3.7.7 Sulfonamides and Related Sulfones 106 3.7.8 Halogenated Compounds 107 3.7.9 Miscellaneous Compound Classes 108 3.8 Fragmentation of Metal-ion Cationized Molecules 108 3.9 Generation of Odd-electron Ions in ESI-MS, APCI-MS, and APPI-MS 111 3.10 Useful Tables 112 4 Fragmentation of Drugs and Pesticides 129 4.1 Fragmentation of Drugs for Cardiovascular Diseases and Hypertension 134 4.1.1 β-Blockers or β-Adrenergic Antagonists 134 4.1.2 Dihydropyridine Calcium Antagonists 137 4.1.3 Angiotensin-Converting Enzyme Inhibitors 140 4.1.4 Diuretic Drugs 142 4.1.5 Angiotensin II Receptor Antagonists 148 4.1.6 Other Antihypertensive Compounds 149 4.1.7 Antiarrhythmic Agents 153 4.2 Fragmentation of Psychotropic or Psychoactive Drugs 158 4.2.1 Phenothiazines 158 4.2.2 Other Classes of Neuroleptic Drugs 161 4.2.3 Antidepressants 163 4.2.4 Benzodiazepines 167 4.2.5 Local Anesthetics 173 4.2.6 Barbiturates 173 4.2.7 Anticonvulsant Drugs 174 4.2.8 Other Psychotropic Drugs 175 4.3 Fragmentation of Analgesic, Antipyretic, and Anti-Inflammatory Drugs 179 4.3.1 Acetaminophen 179 4.3.2 Salicylic Acid Derivatives 179 4.3.3 Nonsteroidal Anti-Inflammatory Drugs 180 4.3.4 COX-2 Inhibitors 184 4.4 Fragmentation of Drugs Related to Digestion and the Gastrointestinal Tract 188 4.4.1 Antidiabetic Drugs 188 4.4.2 Antiulcer Drugs 191 4.4.3 Lipid-Lowering Agents 192 4.4.4 Anorexic Drugs 195 4.4.5 Antiemetic Drugs 196 4.5 Fragmentation of Other Classes of Drugs 199 4.5.1 β-Adrenergic Receptor Agonists 199 4.5.2 Histamine Antagonists 199 4.5.3 Anticholinergic Agents 202 4.5.4 Drugs against Alzheimer's Disease: Acetylcholinesterase Inhibitors 204 4.5.5 Antiparkinsonian Drugs 208 4.5.6 Antineoplastic and Cytostatic Drugs 209 4.5.7 Immunosuppressive Drugs 214 4.5.8 X-ray Contrast Agents 216 4.5.9 Anticoagulants and Rodenticides 218 4.5.10 Conclusions 219 4.6 Fragmentation of Steroids 222 4.6.1 Introduction 222 4.6.2 Fragmentation of Steroids 223 4.6.3 Fragmentation in 3-Keto-Δ4-Steroids 224 4.6.4 Anabolic Steroids 225 4.6.5 Progestogens 227 4.6.6 Corticosteroids 228 4.6.7 Estrogens 234 4.6.8 Steroid Conjugates 236 4.7 Fragmentation of Drugs of Abuse 241 4.7.1 Introduction 241 4.7.2 Amphetamine and Related Compounds 241 4.7.3 Cannabinoids 248 4.7.4 Cocaine and Related Substances 250 4.7.5 Opiates 251 4.7.6 Miscellaneous Drugs of Abuse 252 4.7.7 Designer Drugs 255 4.8 Fragmentation of Antimicrobial Compounds 262 4.8.1 Sulfonamides 262 4.8.2 Chloramphenicol and Related Compounds 265 4.8.3 β-Lactams 266 4.8.4 (Fluoro)quinolones 273 4.8.5 Aminoglycosides 277 4.8.6 Tetracyclines 279 4.8.7 Nitrofurans 279 4.8.8 Macrolides 281 4.8.9 Miscellaneous Antibiotics 282 4.9 Fragmentation of Antimycotic and Antifungal Compounds 289 4.9.1 Imidazolyl Antimycotic Compounds 289 4.9.2 Triazolyl Antifungal Compounds 290 4.9.3 Benzamidazole Fungicides 292 4.9.4 Other Classes of Fungicides 293 4.10 Fragmentation of Other Antibiotic Compounds 297 4.10.1 Anthelmintic Drugs 297 4.10.2 Antiprotozoal, Coccidiostatic, and Antimalarial Agents 299 4.10.3 Antiviral Drugs 304 4.10.4 Antiseptics and Disinfectants 309 4.11 Pesticides 315 4.11.1 Triazine Herbicides 315 4.11.2 Carbamates 317 4.11.3 Quaternary Ammonium Herbicides 322 4.11.4 Organophosphorus Pesticides 322 4.11.5 Urea Herbicides: Phenylureas, Benzoylphenylureas, and Others 329 4.11.6 Sulfonylurea Herbicides 334 4.11.7 Chlorinated Phenoxy Acid Herbicides 337 4.11.8 Phenolic Compounds 339 4.11.9 Miscellaneous Herbicides 339 5 Identification Strategies 351 5.1 Introduction 351 5.2 Confirmation of Identity in Following Organic Synthesis 352 5.3 Confirmation of Identity in Targeted Screening by SRM-based Strategies 353 5.3.1 Environmental Analysis 354 5.3.2 Food Safety Analysis 355 5.3.3 Sports Doping Analysis 355 5.3.4 General Unknown Screening in Toxicology 355 5.4 Confirmation of Identity by High-resolution Accurate-mass MS Strategies 356 5.4.1 Environmental and Food Safety Analysis 356 5.4.2 General Unknown Screening in Toxicology 357 5.4.3 Sports Doping Analysis 357 5.5 Library Searching Strategies in Systematic Toxicological Analysis 357 5.6 Dereplication and Identification of Natural Products and Endogenous Compounds 360 5.7 Identification of Structure-related Substances 361 5.7.1 Drug Metabolites 362 5.7.2 Impurities and Degradation Products 366 5.8 Identification of Known Unknowns and Real Unknowns 366 Compound Index 381 Subject Index

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Book Synopsis

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Book SynopsisThe new edition of the popular introductory analytical chemistry textbook,providing students with a solid foundation in all the major instrumental analysis techniques currently in use The third edition ofChemical Analysis: Modern Instrumentation Methodsand Techniquesprovides an up-to-date overview ofthe common methods used for qualitative, quantitative, and structural chemical analysis. Assuming no background knowledge in the subject, this student-friendly textbook covers thefundamental principles and practical aspects of more than 20 separation and spectroscopicmethods,as well as other importanttechniques such as elemental analysis,electrochemistryandisotopic labelling methods. Avoiding technical complexity and theoretical depth, clearand accessible chapters explain the basic concepts of each method and its corresponding instrumental techniquessupported by explanatory diagrams, illustrations, and photographs of commercial instruments.The new editionincludes revised coverage of recentdevelopments insupercritical fluid chromatography, capillary electrophoresis,miniaturized sensors, automatic analyzers, digitization and computing power, and more. Offering a well-balanced introduction to a wide range of analytical and instrumentation techniques,this textbook: Provides a detailed overview of analysis methods used in the chemical and agri-food industries, medical analysis laboratories, and environmental sciencesCovers various separation methods including chromatography,electrophoresisandelectrochromatographyDescribesUV andinfrared spectroscopy,fluorimetry and chemiluminescence,x-ray fluorescence,nuclear magnetic resonanceand other commonspectrometric methods such atomic or flame emission,atomic absorption and mass spectrometryIncludes concise overview chapters on thegeneral aspects of chromatography,sample preparation strategies, and basic statistical parametersFeatures examples, end-of-chapter problems with solutions, and a companionwebsite featuring PowerPoint slides for instructors Chemical Analysis: Modern Instrumentation Methods and Techniques, Third Edition, is the perfect textbook for undergraduates taking introductory courses in instrumental analytical chemistry,students in chemistry, pharmacy, biochemistry, and environmental science programs looking for information onthe techniques and instruments available, and industry technicians working with problems of chemical analysis. Review of Second Edition: Anessential introduction to a wide range of analytical and instrumentation techniques that have been developed and improved in recent years. --International Journal of Environmental and Analytical ChemistryTable of ContentsForeword vi About the Companion Website viii Introduction ix Chapter 1: General Aspects of Chromatography 1 Chapter 2: Gas Chromatography 37 Chapter 3: High-Performance Liquid Chromatography 75 Chapter 4: Ion Chromatography 117 Chapter 5: Thin-Layer Chromatography 137 Chapter 6: Supercritical Fluid Chromatography 153 Chapter 7: Size-Exclusion Chromatography 165 Chapter 8: High-Performance Capillary Electrophoresis 183 Chapter 9: Ultraviolet and Visible Absorption Spectroscopy 205 Chapter 10: Infrared and Raman Spectroscopy 247 Chapter 11: Fluorescence and Chemiluminescence Spectroscopy 291 Chapter 12: X-Ray Fluorescence Spectroscopy 315 Chapter 13: Atomic Absorption Spectroscopy 341 Chapter 14: Atomic Emission Spectroscopy 365 Chapter 15: Nuclear Magnetic Resonance Spectroscopy 387 Chapter 16: Mass Spectrometry 431 Chapter 17: Isotopic Analyses and Labelling Methods 483 Chapter 18: Specific Analysers 509 Chapter 19: Potentiometric and Ionometric Methods 527 Chapter 20: Voltammetric Methods 543 Chapter 21: Sample Preparation 565 Chapter 22: Basic Statistical Parameters 579 Appendix: Table of Some Useful Constants 599 Bibliography 601 Index 603

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Book SynopsisCovers solid-state NMR spectroscopy and offers descriptions of the major experiments focussing on what the experiments do and what they tell the researcher. This book offers an introduction to the subject. It features descriptions backed up by separate mathematical explanations. It is intended for those using solid-state NMR spectroscopy.Trade Review"Overall this is an excellent book and one that I personally will find very useful. I will recommend it to my postgraduate students and prostdoctoral research fellows for its detailed and careful explanations of a wide range of experimental methods in solid-state NMR spectroscopy." "The book is clear and straightforward...the level of detail is very impressive and the author does not shirk her duty to explain some of the most notoriously difficult concepts in this area." Chemistry World, Vol 2, No 1, January 2005 "The theoretical approaches, the description of methods and the demonstration of the applications are clearly given in this book, which can be recommended to students and researchers in physical, analytical and organic chemistry and also biology who need access to solid-state NMR for the characterization of structures and dynamics of chemical or biological compounds.” Magnetic Resonance in Chemistry, 2004, vol 42Table of ContentsPreface, xii Acknowledgements, xv 1 The Basics of NMR, 1 1.1 The vector model of pulsed NMR, 1 1.1.1 Nuclei in a static, uniform magnetic field, 2 1.1.2 The effect of rf pulses, 3 1.2 The quantum mechanical picture: hamiltonians and the Schrödinger equation, 5 Box 1.1 Quantum mechanics and NMR, 6 Wavefunctions, 6 Operators, physical observables and expectation values, 7 Schrödinger’s equation, eigenfunctions and eigenvalues, 7 Spin operators and spin states, 8 Dirac’s bra-ket notation, 11 Matrices, 11 1.2.1 Nuclei in a static, uniform field, 12 1.2.2 The effect of rf pulses, 15 Box 1.2 Exponential operators, rotation operators and rotations, 19 Rotation of vectors, wavefunctions and operators (active rotations), 20 Rotation of axis frames, 23 Representation of rf fields, 25 Euler angles, 25 Rotations with Euler angles, 26 Rotation of Cartesian axis frames, 27 1.3 The density matrix representation and coherences, 29 1.3.1 Coherences and populations, 30 1.3.2 The density operator at thermal equilibrium, 33 1.3.3 Time evolution of the density matrix, 34 1.4 Nuclear spin interactions, 37 1.4.1 Interaction tensors, 41 1.5 General features of Fourier transform NMR experiments, 43 1.5.1 Multidimensional NMR, 43 1.5.2 Phase cycling, 46 1.5.3 Quadrature detection, 48 Box 1.3 The NMR spectrometer, 53 Generating rf pulses, 53 Detecting the NMR signal, 56 Notes, 58 References, 59 2 Essential Techniques for Solid-State NMR, 60 2.1 Introduction, 60 2.2 Magic-angle spinning (MAS), 61 2.2.1 Spinning sidebands, 62 2.2.2 Rotor or rotational echoes, 67 2.2.3 Removing spinning sidebands, 67 2.2.4 Setting the magic-angle and spinning rate, 72 2.2.5 Magic-angle spinning for homonuclear dipolar couplings, 75 2.3 Heteronuclear decoupling, 77 2.3.1 High-power decoupling, 78 2.3.2 Other heteronuclear decoupling sequences, 81 2.4 Homonuclear decoupling, 83 2.4.1 Implementing homonuclear decoupling sequences, 83 Box 2.1 Average hamiltonian theory and the toggling frame, 86 Average hamiltonian theory, 86 The toggling frame and the WAHUHA pulse sequence, 89 2.5 Cross-polarization, 96 2.5.1 Theory, 97 2.5.2 Setting up the cross-polarization experiment, 101 Box 2.2 Cross-polarization and magic-angle spinning, 106 2.6 Echo pulse sequences, 110 Notes, 113 References, 114 3 Shielding and Chemical Shift: Theory and Uses, 116 3.1 Theory, 116 3.1.1 Introduction, 116 3.1.2 The chemical shielding hamiltonian, 117 3.1.3 Experimental manifestations of the shielding tensor, 120 3.1.4 Definition of the chemical shift, 123 3.2 The relationship between the shielding tensor and electronic structure, 125 3.3 Measuring chemical shift anisotropies, 131 3.3.1 Magic-angle spinning with recoupling pulse sequences, 132 3.3.2 Variable-angle spinning experiments, 135 3.3.3 Magic-angle turning, 138 3.3.4 Two-dimensional separation of spinning sideband patterns, 141 3.4 Measuring the orientation of chemical shielding tensors in the molecular frame for structure determination, 145 Notes, 149 References, 149 4 Dipolar Coupling: Theory and Uses, 151 4.1 Theory, 151 4.1.1 Homonuclear dipolar coupling, 154 Box 4.1 Basis sets for multispin systems, 156 4.1.2 The effect of homonuclear dipolar coupling on a spin system, 157 4.1.3 Heteronuclear dipolar coupling, 160 4.1.4 The effect of heteronuclear dipolar coupling on the spin system, 162 4.1.5 Heteronuclear spin dipolar coupled to a homonuclear network of spins, 163 4.1.6 The spherical tensor form of the dipolar hamiltonian, 164 Box 4.2 The dipolar hamiltonian in terms of spherical tensor operators, 164 Spherical tensor operators, 165 Interaction tensors, 167 The homonuclear dipolar hamiltonian under static and MAS conditions, 167 4.2 Introduction to the uses of dipolar coupling, 172 4.3 Techniques for measuring homonuclear dipolar couplings, 175 4.3.1 Recoupling pulse sequences, 175 Box 4.3 Analysis of the DRAMA pulse sequence, 180 Simulating powder patterns from the DRAMA experiment, 184 4.3.2 Double-quantum filtered experiments, 185 Box 4.4 Excitation of double-quantum coherence under magic-angle spinning, 189 The form of the reconversion pulse sequence: the need for timereversal symmetry, 191 Analysis of the double-quantum filtered data, 195 Box 4.5 Analysis of the C7 pulse sequence for exciting double-quantum coherence in dipolar-coupled spin pairs, 196 4.3.3 Rotational resonance, 199 Box 4.6 Theory of rotational resonance, 202 Effect of H ˆ ∆ term on the density operator, 203 The hamiltonian in the new rotated frame, 204 The average hamiltonian, 205 4.4 Techniques for measuring heteronuclear dipolar couplings, 207 4.4.1 Spin-echo double resonance (SEDOR), 207 4.4.2 Rotational-echo double resonance (REDOR), 208 Box 4.7 Analysis of the REDOR experiment, 210 4.5 Techniques for dipolar-coupled quadrupolar–spin-1–2 pairs, 215 4.5.1 Transfer of population in double resonance (TRAPDOR), 216 4.5.2 Rotational-echo adiabatic-passage double-resonance (REAPDOR), 219 4.6 Techniques for measuring dipolar couplings between quadrupolar nuclei, 220 4.7 Correlation experiments, 221 4.7.1 Homonuclear correlation experiments for spin-1–2 systems, 221 4.7.2 Homonuclear correlation experiments for quadrupolar spin systems, 224 4.7.3 Heteronuclear correlation experiments for spin-1–2, 226 4.8 Spin-counting experiments, 227 4.8.1 The formation of multiple-quantum coherences, 228 4.8.2 Implementation of spin-counting experiments, 231 Notes, 232 References, 233 5 Quadrupole Coupling: Theory and Uses, 235 5.1 Introduction, 235 5.2 Theory, 237 5.2.1 The quadrupole hamiltonian, 237 Box 5.1 The quadrupole hamiltonian in terms of spherical tensor operators: the effect of the rotating frame and magic-angle spinning, 242 The quadrupole hamiltonian in terms of spherical tensor operators, 242 The effect of the rotating frame: first- and second-order average hamiltonians for the quadrupole interaction, 243 The energy levels under quadrupole coupling, 248 The effect of magic-angle spinning, 248 5.2.2 The effect of rf pulses, 249 5.2.3 The effects of quadrupolar nuclei on the spectra of spin-1–2 nuclei, 252 5.3 High-resolution NMR experiments for half-integer quadrupolar nuclei, 255 5.3.1 Magic-angle spinning (MAS), 256 5.3.2 Double rotation (DOR), 259 5.3.3 Dynamic-angle spinning (DAS), 260 5.3.4 Multiple-quantum magic-angle spinning (MQMAS), 263 5.3.5 Satellite transition magic-angle spinning (STMAS), 268 5.3.6 Recording two-dimensional datasets for DAS, MQMAS and STMAS, 275 5.4 Other techniques for half-integer quadrupole nuclei, 280 5.4.1 Quadrupole nutation, 282 5.4.2 Cross-polarization, 285 Notes, 290 References, 291 6 NMR Techniques for Studying Molecular Motion in Solids, 293 6.1 Introduction, 293 6.2 Powder lineshape analysis, 296 6.2.1 Simulating powder pattern lineshapes, 297 6.2.2 Resolving powder patterns, 305 6.2.3 Using homonuclear dipolar-coupling lineshapes – the WISE experiment, 311 6.3 Relaxation time studies, 313 6.4 Exchange experiments, 316 6.4.1 Achieving pure absorption lineshapes in exchange spectra, 318 6.4.2 Interpreting two-dimensional exchange spectra, 320 6.5 2H NMR, 322 6.5.1 Measuring 2H NMR spectra, 323 6.5.2 2H lineshape simulations, 328 6.5.3 Relaxation time studies, 329 6.5.4 2H exchange experiments, 330 6.5.5 Resolving 2H powder patterns, 332 Notes, 334 References, 335 Appendix A NMR Properties of Commonly Observed Nuclei, 336 Appendix B The General Form of a Spin Interaction Hamiltonian in Terms of Spherical Tensors and Spherical Tensor Operators, 337 References, 343 Index, 344

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Book SynopsisDuring the past two decades, there has been an increasing appreciation of the significant value that lifetime-based techniques can add to biomedical studies and applications of fluorescence. Bringing together perspectives of different research communities, Fluorescence Lifetime Spectroscopy and Imaging: Principles and Applications in Biomedical Diagnostics explores the remarkable advances in time-resolved fluorescence techniques and their role in a wide range of biological and clinical applications. Broadly accessible, the book captures the state-of-the-art of fluorescence lifetime metrology and imaging and provides current perspectives on their applications to biomedical studies of intact tissues and medical diagnosis. The text introduces these techniques within the wider context of fluorescence spectroscopy and describes basic principles underlying current instrumentation for fluorescence lifetime imaging and metrology (FLIM). It also covers the wide range of methodsTrade Review"This highly recommended comprehensive volume is a good resource for investigators who wish to apply these techniques. It is a self-contained book in which the physics and the analytical methods are carefully worked out in detail. … The discussions of fluorescence, the design and use of lifetime instrumentation, the various methods to analyze the data, and the biomedical applications are all current and well-illustrated."—Optics & Photonics News (OPN), October 2014"… a timely and comprehensive review of the state of the art by internationally leading experts in the field. It provides excellent coverage of the basic principles, as well as a thorough appraisal of the latest methods and applications. The book represents a major resource for researchers, students, and technologists."—Jem Hebden, Ph.D., Professor and Head, Department of Medical Physics and Bioengineering, University College London"This book provides comprehensive coverage on key aspects of fluorescence lifetime imaging, an emerging technique for life sciences and clinical diagnosis. The instrumentation and analysis sections include both well-known techniques and recent developments."—Dr. Qiyin Fang, Associate Professor of Engineering Physics, McMaster UniversityTable of ContentsIntroduction. Overview of Fluorescence Measurements and Concepts. Principles of Fluorescence Lifetime Instrumentation. Analysis of Fluorescence Lifetime Data. Tissue Fluorescence Lifetime Spectroscopy. Tissue Fluorescence Lifetime Imaging (Endogenous). Fluorescence Lifetime Imaging (Exogenous Probes).

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Book SynopsisIntroductory Material.- Principles Determining the Voltages and Capacities of Electrochemical Cells.- Binary Electrodes Under Equilibrium or Near-Equilibrium Conditions.- Ternary Electrodes Under Equilibriumor Near-Equilibrium Conditions.- Electrode Reactions That Deviate From Complete Equilibrium.- Insertion Reaction Electrodes.- Negative Electrodes in Lithium Cells.- Convertible Reactant Electrodes.- Positive Electrodes in Lithium Systems.- Negative Electrodes in Aqueous Systems.- Positive Electrodes in Aqueous Systems.- Other Topics Related to Electrodes.- Potentials.- Liquid Electrolytes.- Solid Electrolytes.- Electrolyte Stability Windows and Their Extension.- Experimental Methods to Evaluate the Critical Properties of Electrodes and Electrolytes.- Use of Polymeric Materials As Battery Components.- Transient Behavior of Electrochemical Systems.- Closing Comments.Trade ReviewFrom the reviews:“This book is not at all one more standard textbook on batteries, starting with some thermodynamic and kinetic electrochemistry and continuing with the well-known review of established, emerging, and desired batteries. It is something entirely different. … The book is a must for materials scientists in the field of secondary batteries, and it may indeed be a tutorial for the most patient reader. … It is a highly recommended book.” (R. Holze, Journal of Solid State Electrochemistry, Vol. 17, 2013)“This book is an excellent introduction to the field of advanced batteries for the newcomer to the field. It will not be outdated for a long time, as it is written from the point of view of the basics. … I can recommend without hesitation this book to all interested in batteries, and particularly to those entering the field. It is written at a level appropriate to someone with a chemistry, physics, or materials background.” (Stan Whittingham, MRS Bulletin, Vol. 37 (3), March, 2012)“This timely book focuses on the materials science principles of advanced battery technology. … Extensive reference lists, a summary, and many illustrations and graphs are provided for each chapter, with the author bringing great technical insight to bear on the subject. … This book is an outstanding technical resource on advanced battery technology for students or researchers … . It will definitely help to advance battery technology by providing new researchers with the tools and ideas necessary to develop the next generation of batteries.” (IEEE Electrical Insulation Magazine, 2010)Table of ContentsIntroductory Material.- Principles Determining the Voltages and Capacities of Electrochemical Cells.- Binary Electrodes Under Equilibrium or Near-Equilibrium Conditions.- Ternary Electrodes Under Equilibriumor Near-Equilibrium Conditions.- Electrode Reactions That Deviate From Complete Equilibrium.- Insertion Reaction Electrodes.- Negative Electrodes in Lithium Cells.- Convertible Reactant Electrodes.- Positive Electrodes in Lithium Systems.- Negative Electrodes in Aqueous Systems.- Positive Electrodes in Aqueous Systems.- Other Topics Related to Electrodes.- Potentials.- Liquid Electrolytes.- Solid Electrolytes.- Electrolyte Stability Windows and Their Extension.- Experimental Methods to Evaluate the Critical Properties of Electrodes and Electrolytes.- Use of Polymeric Materials As Battery Components.- Transient Behavior of Electrochemical Systems.- Closing Comments.

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Book SynopsisThe Science of Solar System IcesTable of ContentsForeword.- Preface.- Acknowledgements.- Part I - Optical Remote Sensing of Planetary Ices.- Chapter 1: Observed Ices in the Solar System.- Chapter 2: Photometric Properties of Solar System Ices.- Chapter 3: Ultraviolet Properties of Planetary Ices.- Chapter 4: The Ices on Transneptunain Objects and Centaurs.- Part II: Ice Physical Properties and Planetary Applications.- Chapter 5: First-Principles Calculations of Physical Properties of Planetary Ices.- Chapter 6: Frictional Sliding of Cold Ice: A Fundamental Process Underlying Tectonic Activity Within Icy Satellites.- Chapter 7: Planetary Ices Attenuation Properties.- Chapter 8: Deformation Behavior of Ice in Polar Ice Sheets.- Chapter 9: Cratering in Icy Bodies.- Chapter 10: Geology of Icy Bodies.- Part III - Volatiles in Ices.- Chapter 11: Amorphous and Crystalline H2O-Ice.- Chapter 12: Clathrate Hydrates: Implications for Exchange Processes in the Outer Solar System.- Chapter 13: Cometary Ices.- Chapter 14: Gas Trapping in Ice and Its Release Upon Warming.- Part IV: Surface Ice Chemistry.- Chapter 15: Chemistry in Ices - From Fundamentals to Planetary Applications.- Chapter 16: Radiation Effects in Water ice in the Outer Solar System.- Chapter 17: Sputtering of Ices.- Chapter 18: Photochemistry in Terrestrial Ices.- Index.

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Book SynopsisThe book concentrates on the knowledge needed to understand how small(ish) optical telescopes function, their main designs and how to set them up, plus introducing the reader to the many ways in which objects in the sky change their positions and how they may be observed.Trade ReviewFrom the reviews of the third edition:“Telescopes And Techniques is a book that would be helpful for every new telescope owner, and of interest to also more seasoned amateur astronomers, but it will be a real gem for students just starting to learn about observational astronomy. … Kitchin’s ‘Telescopes And Techniques’ bridges the gap between being a textbook of practical astronomy and a handbook of telescope maintenance and use. … a very informative and well structured book that will definitely be consulted even after having been read the first time.” (Kadri Tinn, AstroMadness.com, January, 2014)Table of ContentsPreface to the First Edition.- Preface to the Second Edition.- Preface to the Third Edition.- Part I: Telescopes.- Chapter 1: Types of Telescopes.- Chapter 2: Telescope Optics.- Chapter 3: Modern Small Telescope Design.- Part II: Positions and Motions.- Chapter 4: Positions in the Sky.- Chapter 5: Movements of Objects in the Sky.- Chapter 6: Telescope Mountings.- Part III: Observing.- Chapter 7: Electromagnetic Radiation.- Chapter 8: Visual Observing.- Chapter 9: Detectors and Imaging.- Chapter 10: Data Processing.- Chapter 11: Photometry.- Chapter 12: Spectroscopy.- Appendix A: For Further Reading.- Appendix B: Constellations.- Appendix C: Answers to Exercises.- Appendix D: SI and Other Units.- Appendix E: The Greek Alphabet.- Index.

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Book SynopsisBasic Explanation for Collisions in Mass Spectrometry.- Super-excited States of Molecules.- Fundamental Aspects of Photoionization of Molecules.- Chemical Reaction by Core Electron Excitation.- Ion Mobility Spectrometry.- Gas Phase Ion Molecule Reactions.- Fundamentals of Electrospray.- Secondary Ion Mass Spectrometry.- Isotope Ratio Mass Spectrometry.- Theory of Ion Fragmentation.Trade ReviewFrom the book reviews:“Fundamentals of Mass Spectrometry, edited by Kenzo Hiraoka, covers a selection of concepts, methods, and techniques relevant to mass spectrometry, approaching them mostly from a fundamental perspective. … Without hesitation, the book can be highly recommended as a primer for anyone starting or redirecting research in one of the fields covered. It provides a worthy resource for all those teaching mass spectrometry and, of course, for the practitioner intending to update basic knowledge probably gathered decades ago.” (Jürgen H. Gross, Analytical and Bioanalytical Chemistry, Vol. 406, 2014)Table of ContentsChapter 1 Basic Explanation for Collisions in Mass Spectrometry Chapter 2 Super-excited States of Molecules Chapter 3 Fundamental Aspects of Photoionization of Molecules Chapter 4 Chemical Reaction by Core Electron Excitation Chapter 5 Ion Mobility Spectrometry Chapter 6 Gas Phase Ion Molecule Reactions Chapter 7 Fundamentals of Electrospray Chapter 8 Secondary Ion Mass Spectrometry Chapter 9 Isotope Ratio Mass Spectrometry Chapter 10 Theory of Ion Fragmentation

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Book SynopsisThis book introduces the key concepts of nanoscale spectroscopy methods used in nanotechnologies in a manner that is easily digestible for a beginner in the field. It discusses future applications of nanotechnologies in technical industries. It also covers new developments and interdisciplinary research in engineering, science, and medicine. An overview of nanoscale spectroscopy for nanotechnologies, the book describes the technologies with an emphasis on how they work and on their key benefits. It also serves as a reference for veterans in the field.Table of ContentsTip-Enhanced Spectroscopy in the Nanoscale: Its Practical Issues and Solutions. Micro- and Nanoscale Structures/Systems and their Applications in Certain Directions: A Brief Review. Dielectric Spectroscopy of Polymer-Based Nanocomposite Dielectrics with Tailored Interfaces and Structured Spatial Distribution of Fillers. Nanoscale Spectroscopy with Applications to Chemistry. Localized Surface Plasmon Resonance Spectroscopy with Applications to Chemistry. Nanoestructure Evaluation of Ionic Liquid Aggregates by Spectroscopy. Controlling Reversible Self-Assembly Path of Amyloid Beta Peptide over Gold Colloidal Nanoparticles' Surfaces. Nanoscale Spectroscopy in the Infrared with Applications to Biology. Spectral Interference Fluorescence Microscopy to Study Conformation of Biomolecules with Nanometer Accuracy. FMRI and Nanotechnology. Review of Nanoscale Spectroscopy in Medicine. Medical Nanoscale Spectroscopy: Concepts, Principles and Applications. Nanoscale Spectroscopy for Defense and National Security. Appendices.

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Book SynopsisThis textbook offers an introduction to the foundations of spectroscopic methods and provides a bridge between basic concepts and experimental applications in fields as diverse as materials science, biology, solar energy conversion, and environmental science. The author emphasizes the use of time-dependent theory to link the spectral response in the frequency domain to the behavior of molecules in the time domain, strengthened by two brand new chapters on nonlinear optical spectroscopy and time-resolved spectroscopy. Theoretical underpinnings are presented to the extent necessary for readers to understand how to apply spectroscopic tools to their own interests.  Trade Review"This text is uniquely valuable because it presents the linear and nonlinear spectroscopy that is most relevant for exciting condensed phase molecular systems" – Richard A. Mathies, Professor of Chemistry, UC Berkeley"This book provides a solid treatment of the foundations of spectroscopy and applies it to modern topics" – Robert J. Gordon, Professor of Chemistry, University of Illinois at Chicago"This text is uniquely valuable because it presents the linear and nonlinear spectroscopy that is most relevant for exciting condensed phase molecular systems" – Richard A. Mathies, Professor of Chemistry, UC Berkeley"This book provides a solid treatment of the foundations of spectroscopy and applies it to modern topics" – Robert J. Gordon, Professor of Chemistry, University of Illinois at ChicagoTable of ContentsIntroduction and Review. The Nature of Electromagnetic Radiation. Electric and Magnetic Properties of Molecules and Bulk Matter. Time-dependent Perturbation Theory of Spectroscopy. The Time-Dependent Approach to Spectroscopy: Dynamics of Spectroscopic Transitions. Experimental Considerations: Absorption, Emission, and Scattering. Atomic Spectroscopy. Rotational Spectroscopy. Vibrational Spectroscopy of Diatomics. Vibrational Spectroscopy of Polyatomic Molecules. Electronic Spectroscopy. Raman and Resonance Raman Spectroscopy. Nonlinear Optical Spectroscopy. Time-resolved optical spectroscopy. Appendices.

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Book SynopsisPhoton-in-photon-out core level spectroscopy is an emerging approach to characterize the electronic structure of catalysts and enzymes, and it is either installed or planned for intense synchrotron beam lines and X-ray free electron lasers. This type of spectroscopy requires high-energy resolution spectroscopy not only for the incoming X-ray beam but also, in most applications, for the detection of the outgoing photons. Thus, the use of high-resolution X-ray crystal spectrometers whose resolving power ?E/E is typically about 104, is mandatory.High-Resolution XAS/XES: Analyzing Electronic Structures of Catalysts covers the latest developments in X-ray light sources, detectors, crystal spectrometers, and photon-in-photon-out core level spectroscopy techniques. It also addresses photon-in-photon-out core level spectroscopy applications for the study of catalytic systems, highlighting hard X-ray measurements primarily due to probe high penetration, enabling in situ Table of ContentsX-Ray Sources and Detectors. Crystal Spectrometers. Techniques: RXES, HR-XAS, HEROS, GIXRF, and GEXRF. Theoretical Models. Biological Catalysts. Heterogeneous Catalysts.

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Book SynopsisIsotope Ratio Mass Spectrometry of Light Gas-Forming Elements explores different methods of isotope analysis, including spark, secondary ion, laser, glow discharge, and isotope ratio mass spectrometry. It explains how to evaluate the isotopic composition of light elements (H, C, N, O) in solid, liquid, and gaseous samples of organic and inorganic substances, as well as: Presents a universal, economical, simple, and rapid technique for sample preparation of organic substances to measure the isotopic composition of carbon Describes how to determine microbial mineralization of organic matter in soil and the effect of exogenous substrates on environmental sustainability Examines use of the isotopic composition of n-alkanes from continental vegetation to study the paleoclimate and plant physiology Proposes a systematic approach to identifying tobacco areas of origin and tobacco products based on data from the isotopic compositionTable of ContentsIsotope Ratio Mass Spectrometry: Devices, Methods, and Applications. Universal Method for Preparation of Liquid, Solid, and Gaseous Samples for Determining the Isotopic Composition of Carbon. Using Isotope Ratio Mass Spectrometry for Assessing the Metabolic Potential of Soil Microbiota. Study of the Isotopic Composition of Normal Alkanes of Continental Plants. Using Isotope Ratio Mass Spectroscopy for Analysis of Tobacco. Using Isotope Mass Ratio Spectrometry of Carbon in Doping Control. Isolation Methods in Isotope Geochemistry of Noble Gases. Using Laser Spectroscopy for Measuring the Ratios of Stable Isotopes.

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Book SynopsisIt aims at the specialist in applied physics, chemistry and engineering, working in these specialized fields, as well as at the graduate student, interested in solid solid state physics, chemistry and electrical engineering.Table of Contents1. Parametric Optics.- 2. Holography and its Applications.- 3. A Quick Look at Light Scattering with Laser Sources.- 4. Vision: Human and Electronic.- I. Preface.- II. Quantum Effects in Human Vision.- III. Television Pickup Tubes and the Problem of Vision.- IV. An Analysis of the Gain-Bandwidth Limitations of Solid-State Triodes.- V. Photoconductive Photon Counters.- VI. Ohm’s Law and Hot Electrons.- 5. Principles of Solidification.- 6. Techniques of Crystal Growth.- 7. The Empirical Approach to Superconductivity.- 8. The Material Aspects of Computer Storage.- 9. Semiconductor Photovoltaic Effect and Devices.- Author Index.

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Book SynopsisHigh brightness metal vapor lasers have become the most bright and powerful in the visible spectral range among all existing laser types, resulting in numerous applications ranging from purely fundamental research to practical application in large-scale commercial problems such as isotope selection. This book presents a full series of fundamental problems on the development of physical fundamentals and mathematical models for practical realization of a high-power laser radiation on self-contained transitions in metal atoms. It is the first fundamental review on physics and the technique of high-brightness metal vapor lasers.Table of ContentsIntroduction. The devices and methods of creating metal vapors. Excitation schemes and its effect on the characteristics of the generation of self-heating copper vapor lasers. Excitation blocks of lasers on self-terminating transitions of metal atoms. Repetitively pulsed lasers on self-terminating transitions of metal atoms. The results of analytical studies on laser self-terminating transitions of metal atoms. Numerical studies of pulsed metal vapor lasers. Numerical simulation of pulsed-periodic MVL considering the inhomogeneous distribution of the plasma parameters (heterogeneity level) cross section GDT. Modeling of copper vapor lasers. Lasers with a modified kinetics (kinetically enhanced lasers).

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Book SynopsisLight Scattering Technology for Food Property, Quality and Safety Assessment discusses the development and application of various light scattering techniques for measuring the structural and rheological properties of food, evaluating composition and quality attributes, and detecting pathogens in food. The first four chapters cover basic concepts, principles, theories, and modeling of light transfer in food and biological materials. Chapters 5 and 6 describe parameter estimation methods and basic techniques for determining optical absorption and scattering properties of food products.Chapter 7 discusses the spatially-resolved measurement technique for determining the optical properties of food and biological materials, whereas Chapter 8 focuses on the time-resolved spectroscopic technique for measuring optical properties and quality or maturity of horticultural products. Chapter 9 examines practical light scattering techniques for nondestructive qualityTable of ContentsIntroduction to Light and Optical Theories. Overview of Light Interaction with Food and Biological Materials. Theory of Light Transfer in Food and Biological Materials. Monte Carlo Modeling of Light Transfer in Food. Parameter Estimation Methods for Determining Optical Properties of Foods. Basic Techniques for Measuring Optical Absorption and Scattering Properties of Food. Spatially-Resolved Spectroscopic Technique for Measuring Optical Properties of Food. Time-Resolved Technique for Measuring Optical Properties and Quality of Food. Spectral Scattering for Assessing the Quality of Fruits and Vegetables. Light Propagation in Meat and Meat Analog: Theory and Applications. Spectral Scattering for Assessing Quality and Safety of Meat. Light Scattering Applications in Milk and Dairy Processing. Dynamic Light Scattering for Measuring Microstructure and Rheological Properties of Food. Biospeckle Technique for Assessing Quality of Fruits and Vegetables. Raman Scattering for Food Quality and Safety Assessment. Light Scattering-Based Detection of Food Pathogens.

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Book SynopsisStarting from a comprehensive quantum mechanical description, this book introduces the optical (IR, Raman, UV/Vis, CD, fluorescence and laser spectroscopy) and magnetic resonance (1D and 2D-NMR, ESR) techniques.Table of Contentsand Future of Site-Directed Spin Labeling of Membrane Proteins.- Instrumentation and Experimental Setup.- Advanced ESR Spectroscopy in Membrane Biophysics.- Practical Pulsed Dipolar ESR (DEER).- Membrane Protein Structure and Dynamics Studied by Site-Directed Spin-Labeling ESR.- High-Field ESR Spectroscopy in Membrane and Protein Biophysics.

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Book SynopsisIn Chapter One, the authors review the recent developments in the field of electrochemical impedance spectroscopy, discuss some of the challenges and compare EIS with the other relevant techniques. The effect of storage time without use (STWU) in the supporting electrolyte solution on the conducting properties of poly(o-aminophenol) (POAP) film electrodes was studied in Chapter Two. In Chapter Three, the authors study the effect of the cerium content on the corrosion behavior of Al85CexNi15-x (x = 4, 5, 6, 7 and 10) amorphous alloys obtained by melt spinning.

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Book SynopsisThis book includes three chapters that discuss the analytical tool called mass spectrometry, which is used to measure the mass-to-charge ratio of ions. Chapter One describes the use of mass spectrometry in the determination of volatile organic compounds in natural matrices and in the characterisation of wood extractives. Chapter Two summarises the investigations by tandem mass spectrometry analysis in biodegradable polymers and the information achieved. Chapter Three discusses the most famous types of commercial Orbitrap analysers, including LTQ Orbitrap, Orbitrap Elite, Q Exactive Orbitrap, and Orbitrap Fusion.Table of ContentsPreface; Use of Mass Spectrometry in the Determination of Volatile Organic Compounds in Natural Matrices and in the Characterization of Wood Extractives; Tandem Mass Spectrometry in the Analysis of Biodegradable Polymers; The Orbitrap Mass Analyzer and Its Applications: A Mini-Review; Index.

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Book SynopsisMass spectrometry (MS) is an analytical technique for the determination of the elemental composition of a sample or molecule. It is also used for elucidating the chemical structures of molecules, such as peptides and other chemical compounds. MS instruments consist of three modules: an ion source, which splits the sample molecules into ions; a mass analyser, which sorts the ions by their masses by applying electromagnetic fields; and a detector, which measures the value of an indicator quantity and thus provides data for calculating the abundances of each ion present. The technique has both qualitative and quantitative uses. These include identifying unknown compounds, determining the isotopic composition of elements in a molecule, and determining the structure of a compound by observing its fragmentation. Other uses include quantifying the amount of a compound in a sample or studying the fundamentals of gas phase ion chemistry. MS is now in very common use in analytical laboratories that study physical, chemical, or biological properties of a great variety of compounds. This book gathers the latest research from around the globe in the field.

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Book SynopsisThis yearbook covers research in the fields of biomacromolecules such as proteins, DNA, and other biopolymers studied with mass spectrometry and peripheral techniques. Cleavage and breakdown of the large molecules is often necessary for their investigation and therefore such studies on the products are also of importance.

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