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Contents Preface to the 1st edition ix Preface xi Acknowledgements xiii Disclaimer xiv Guide to use xv VOLUME 1 Contributors to Volume 1 xvii Table of contents xxi Subject Classification Index xxxiii A Accelerator Mass Spectrometry (AMS) John F Wacker, Gregory C Eiden, Scott A Lehn, David W Koppenaal 1 Analytical Methodology Standards for Metabolomics Julian L Griffin, Denis V Rubtsov 4 Applications of Circular Dichroism Giuliano Siligardi, Rohanah Hussain 9 Applications of Single Photon Imaging Anna Celler 15 Art Works Studied Using IR and Raman Spectroscopy Howell G M Edwards 23 Atmospheric Pressure Ionization in Mass Spectrometry WMA Niessen 39 Atomic Absorption, Methods and Instrumentation Steve J Hill, Andy S Fisher 46 Atomic Absorption, Theory Albert Kh Gilmutdinov 54 Atomic Emission and Fluorescence Theory James A Holcombe, Paul B Farnsworth 63 Atomic Emission, Methods and Instrumentation Sandra L Bonchin, Grace K Zoorob, Joseph A Caruso 70 Atomic Fluorescence, Methods and Instrumentation Steve J Hill, Andy S Fisher 78 Atomic Spectroscopy, Forensic Science Applications Douglas C Duckworth 84 Atomic Spectroscopy, Historical Perspective CL Chakrabarti 91 ATR and Reflectance IR Spectroscopy, Applications UP Fringeli 94 B Biochemical Applications of Fluorescence Spectroscopy Jason B Shear 111 Biochemical Applications of Raman Spectroscopy Peter Hildebrandt, Sophie Lecomte 118 Biofluids Studied by NMR Spectroscopy John C Lindon 128 Biological Applications of IR Arthur MA Pistorius, Willem J DeGrip 142 xxi xxii Contents Biomacromolecular Applications of Circular Dichroism and ORD Norma J Greenfield 153 Biomacromolecular Applications of UV-Visible Absorption Spectroscopy Alison Rodger, Karen Sanders 166 Biomedical Applications of Atomic Spectroscopy Andrew Taylor 174 Biometallics/Metallomics Techniques and Applications David W Koppenaal 183 Biomolecular X-Ray Crystallography, Structure Determination Methods Miroslav Z Papiz, Graeme Winter 185 C Calibration and Reference Systems (Regulatory Authorities) Christopher Burgess 195 Carbohydrates Studied by NMR Charles T Weller 204 Cells Studied by NMR Fa´tima Cruz, Sebastia´n Cerda´n 212 Chemical Applications of EPR Christopher C Rowlands, Damien M Murphy 221 Chemical Exchange Effects in NMR Alex D Bain 229 Chemical Ionization in Mass Spectrometry Alex G Harrison 238 Chemical Reactions Studied by Electronic Spectroscopy Salman R Salman 246 Chemical Shift and Relaxation Reagents in NMR Silvio Aime, Mauro Botta, Mauro Fasano, Enzo Terreno 253 Chiroptical Spectroscopy, Emission Theory James P Riehl 262 Chiroptical Spectroscopy, General Theory Hans-Georg Kuball, Tatiana Ho¨ fer, Stefan Kiesewalter 268 Chiroptical Spectroscopy, Oriented Molecules and Anisotropic Systems Hans-Georg Kuball, Tatiana Ho¨ fer 284 Chromatography-IR, Applications George Jalsovszky 298 Chromatography-IR, Methods and Instrumentation Robert L White 304 Chromatography-MS, Methods WWA Niessen 309 CIDNP Applications Tatyana V Leshina, Alexander I Kruppa, Marc B Taraban 317 Circular Dichroism Spectrometers George E Tranter 325 Circularly Polarized Luminescence and Fluorescence Detected Circular Dichroism Christine L Maupin, James P Riehl 337 Cluster Ions Measured Using Mass Spectrometry O Echt, TD Ma¨rk 345 13C NMR, Methods Cecil Dybowski, Alicia Glatfelter, HN Cheng 355 13C NMR, Parameter Survey R Duncan Farrant, John C Lindon 365 Colorimetry, Methods Arthur D Broadbent 372 Colorimetry, Theory Alison Gilchrist, Jim Nobbs 380 Computational Methods and Chemometrics in Near Infrared Spectroscopy Paul Geladi, Eigil Da˚bakk 386 Computer Methods in Mass Spectrometry for Chemical Structure Assignment Kurt Varmuza 392 Contrast Mechanisms in MRI IR Young 404 Cosmochemical Applications Using Mass Spectrometry JR De Laeter 414 Contents xxiii D Diffusion Studied Using NMR Spectroscopy Peter Stilbs 423 Drug Metabolism Studied Using NMR Spectroscopy Myriam Malet-Martino, Robert Martino 429 Dyes and Indicators, Applications of UV-Visible Absorption Spectroscopy Volker Buss, Lutz Eggers 442 E Electromagnetic Radiation David L Andrews 451 Electron Diffraction Applications Magdolna Hargittai, Istva´n Hargittai 456 Electron Diffraction Theory and Methods Istva´n Hargittai, Magdolna Hargittai 461 Electronic Components, Applications of Atomic Spectroscopy John C Lindon 466 Electrospray Ionization in Mass Spectrometry Keqi Tang, Jason S Page, Ryan T Kelly, Ioan Marginean 467 Ellipsometry GE Jellison Jr 475 Enantiomeric Purity Studied Using NMR Thomas J Wenzel 484 Environmental and Agricultural Applications of Atomic Spectroscopy Michael Thompson, Michael H Ramsey 494 Environmental Applications of Electronic Spectroscopy John W Farley, William C Brumley, DeLyle Eastwood 502 EPR Imaging LH Sutcliffe 510 EPR, Methods Richard Cammack 518 EPR Spectroscopy, Theory Christopher C Rowlands, Damien M Murphy 531 Exciton Coupling Nina Berova, Nobuyuki Harada, Koji Nakanishi 542 F Far Infrared Spectroscopy Applications James R Durig 559 Fast Atom Bombardment Ionization in Mass Spectrometry Magda Claeys, Jan Claereboudt 566 Fibre Optic Probes in Optical Spectroscopy, Clinical Applications Urs Utzinger, Rebecca R Richards-Kortum 573 Fibres and Films Studied Using X-Ray Diffraction Watson Fuller, Arumugam Mahendrasingam 589 Field Ionization Kinetics in Mass Spectrometry Nico MM Nibbering 599 Flame and Temperature Measurement Using Vibrational Spectroscopy Kevin L McNesby 608 Fluorescence Microscopy, Applications Fred Rost 619 Fluorescence Polarization and Anisotropy GE Tranter 625 Fluorescence Theory Karen G Fleming 628 Fluorescent Molecular Probes F Braut-Boucher, M Aubery 635 19F NMR, Applications, Solution State Claudio Pettinari, Giovanni Rafaiani 645 Food and Dairy Products, Applications of Atomic Spectroscopy NJ Miller-Ihli, SA Baker 654 xxiv Contents Food and Nutritional Science, Applications of Magnetic Resonance John P M van Duynhoven 663 Food Properties, Applications of NMR Brian Hills 671 Food Science, Applications of Mass Spectrometry John P G Wilkins 680 Forensic Science, Applications of IR Spectroscopy Nu´ ria Ferrer 681 Forensic Science, Applications of Mass Spectrometry Rodger L Foltz, David M Andrenyak, Dennis J Crouch 693 Forestry and Wood Products, Applications of Atomic Spectroscopy Cathy Hayes 699 Fourier Transformation and Sampling Theory Rau´ l Curbelo 709 Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) Errol W Robinson 714 Fragmentation in Mass Spectrometry Hans-Friedrich Gru¨ tzmacher 720 FT-Raman Spectroscopy, Applications RH Brody, EA Carter, HGM Edwards, AM Pollard 732 Functional MRI (fMRI) Scott A Huettel 741 G Gas Phase Applications of NMR Spectroscopy Nancy S True 749 Geology and Mineralogy Applications of Atomic Spectroscopy Michael E Ketterer 757 Glow Discharge Mass Spectrometry C Derrick Quarles Jr, Joaudimir Castro, R Kenneth Marcus 762 H Halogen NMR Spectroscopy (Excluding 19F) Frank G Riddell 771 Heteronuclear NMR Applications (As, Sb, Bi) Claudio Pettinari, Fabio Marchetti, Giovanni Rafaiani 779 Heteronuclear NMR Applications (B, Al, Ga, In, Tl) Janusz Lewin´ski 785 Heteronuclear NMR Applications (Ge, Sn, Pb) Claudio Pettinari 798 Heteronuclear NMR Applications (La–Hg) Trevor G Appleton 812 Heteronuclear NMR Applications (O, S, Se, Te) Ioannis P Gerothanassis 816 Heteronuclear NMR Applications (Sc–Zn) Dieter Rehder 824 Heteronuclear NMR Applications (Y–Cd) Erkki Kolehmainen 834 High Energy Ion Beam Analysis Geoff W Grime 844 High Pressure Studies Using NMR Spectroscopy Jiri Jonas 854 High Resolution Electron Energy Loss Spectroscopy, Applications Horst Conrad, Martin E Kordesch 865 High Resolution Gas Phase IR Spectroscopy Applications E Cane`, A Trombetti 877 High Resolution Gas Phase IR Spectroscopy Instrumentation Jyrki K Kauppinen, Jari O Partanen 884 High Resolution Solid State NMR, 13C Etsuko Katoh, Isao Ando 894 High Resolution Solid State NMR, 1H, 19F Anne S Ulrich 905 High Temperature Chemistry Applications of Mass Spectrometry Lev N Sidorov 917 Contents xxv 1H MAS NMR Spectroscopy of Tissues Julian L Griffin, Reza M Salek 925 Hole-Burning Spectroscopy Jean Pierre Schermann 931 Hole-Burning Spectroscopy Methods Josef Friedrich 936 HPLC–NMR, Pharmaceutical Applications JP Shockcor 946 Hydrogen Bonding and Other Physicochemical Interactions Studied by IR and Raman Spectroscopy AS Gilbert 957 Hyperpolarization Methods and Applications in NMR Walter Ko¨ ckenberger, Jo¨ rg Matysik 963 Hyperpolarized Gases in NMR, Methods and Applications Martin H Deppe, Jim M Wild 971 Hyphenated NMR, Methods and Applications Jerzy W Jaroszewski 979 Hyphenated Techniques, Applications of in Mass Spectrometry WMA Niessen 984 VOLUME 2 Contributors to Volume 2 v Table of Contents ix I ICPMS Applications Isaac (Joe) Brenner 991 Induced Circular Dichroism Kymberley Vickery, Bengt Norde´n 999 Inductively Coupled Plasma Mass Spectrometry, Methods Diane Beauchemin 1005 Industrial Applications of IR and Raman Spectroscopy AS Gilbert, RW Lancaster 1011 Inelastic Neutron Scattering, Applications Stewart F Parker 1024 Inelastic Neutron Scattering, Instrumentation Stewart F Parker 1035 Inorganic Chemistry Applications of UV-Visible Absorption and Circular Dichroism Spectroscopy George E Tranter 1045 Inorganic Compounds and Minerals Studied Using X-Ray Diffraction Gilberto Artioli 1048 Inorganic Condensed Matter, Applications of Luminescence Spectroscopy Keith Holliday 1057 Interstellar Molecules, Spectroscopy of AGGM Tielens 1067 In Vivo 1H MRS Applications Anke Henning 1077 In Vivo 1H MRS Methods Anke Henning 1085