Spectrum analysis Books

Book SynopsisSince the turn of the twenty-first century, applications of ion mobility spectrometry (IMS) have diversified, expanding their utility in the military and security spheres and entering the realms of clinical practice and pharmaceutical exploration. Updated and expanded, the third edition of Ion Mobility Spectrometry begins with a comprehensive discussion of the fundamental theory and practice of IMS. Divided into four sectionsOverview, Technology, Fundamentals, and Applicationsthe authors treat innovations and advances in all aspects of IMS in a fresh, thorough, and revised format.Features: Introduces the definitions, theory, and practice of IMS and summarizes its history from the beginnings of the study of ions to present commercial and scholarly activitiesPresents the technology of IMS from a measurement perspectivecovering inlet through ion formation, ion injection, electric fieTrade Review"… an excellent book and essential for every researcher and engineer working in the field of ion mobility. The authors, who are leading experts in IMS technology, provide an excellent overview of the current state of science and technology related to IMS and the most recent developments in this field. … well written and easily understandable, with a well-balanced mix of practice-oriented information and theoretical background knowledge."—Thomas Mayer, Department of Monitoring and Exploration Technologies, Helmholtz Centre for Environmental Research – UFZ, Leipzig, Germany, from International Journal for Ion Mobility Spectrometry, December 2014 Praise for the Previous Edition "... The second edition of this book provides a timely update to the fundamental theory, advancements in instrumentation, and the development of new applications of IMS.... The book accomplishes the objectives outlined by the authors... The CD [is] a useful and practical addition to this book... Overall, this book should be useful to experts in IMS research as well as those new to the technology. As a practical book, it offers a well-balanced combination of theory and application... I highly recommend it to anyone interested in IMS."—Robert G. Ewing, New Mexico Institute of Mining and Technology, in JACS, Vol. 128, 2006 Table of ContentsIntroduction to Ion Mobility Spectrometry. History of Ion Mobility Spectrometry. Sample Introduction Methods. Ion Sources. Ion Injection and Pulsed Sources. Drift Tubes in Ion Mobility Spectrometry. Ion Detectors. The Ion Mobility Spectrum. Ion Mobility-Mass Spectrometry. Ion Characterization and Separation: Mobility of Gas Phase Ions in Electric Fields. Control and Effects of Experimental Parameters. Detection of Explosives by IMS. Chemical Weapons. Drugs of Abuse. Pharmaceuticals. Industrial Applications. Environmental Monitoring. Biological and Medical Applications of IMS. Current Assessments and Future Developments in Ion Mobility Spectrometry.

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Book SynopsisThe book provides an up-to-date overview of the fast growing area of Raman spectroscopy. The two-volume work describes how analytic methods using Raman spectroscopy allow for the chemical analysis of materials, providing even spatial resolution without precedent. In addition, external perturbations (strain, temperature, pressure) on molecules and their alignment can be analyzed. Raman spectroscopy can also provide information about the interactions of components, again at a high level of spatial resolution. In the form of tip-enhanced Raman spectroscopy (TERS), the method is a valuable tool for nanotechnology. This book is intended for researchers or lecturers in chemistry and materials science, who are interested in the composition and properties of their samples. It describes how Raman spectroscopy will enable them to examine thin layers, surfaces, and interfaces and improve their knowledge about the properties of composites. In addition, it can serve as a short introduction to vibrational spectroscopy.

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Book SynopsisNuclear magnetic resonance (NMR) spectroscopy is one of the most powerful and widely used techniques in chemical research for investigating structures and dynamics of molecules. Advanced methods can even be utilized for structure determinations of biopolymers, for example proteins or nucleic acids. NMR is also used in medicine for magnetic resonance imaging (MRI). The method is based on spectral lines of different atomic nuclei that are excited when a strong magnetic field and a radiofrequency transmitter are applied. The method is very sensitive to the features of molecular structure because also the neighboring atoms influence the signals from individual nuclei and this is important for determining the 3D-structure of molecules. This new edition of the popular classic has a clear style and a highly practical, mostly non-mathematical approach. Many examples are taken from organic and organometallic chemistry, making this book an invaluable guide to undergraduate and graduate students of organic chemistry, biochemistry, spectroscopy or physical chemistry, and to researchers using this well-established and extremely important technique. Problems and solutions are included.Trade Review“Few good textbooks on NMR Spectroscopy are available at either the undergraduate or graduate levels. For those who want to go beyond elementary organic chemistry but without delving into all the mathematics Friebolin’s book is probably the best among this category.” (Journal of Chemical Education, 5 June 2014)Table of ContentsPREFACE INTRODUCTION Literature Units and Constants PART I: Basic Principles and Applications THE PHYSICAL BASIS OF THE NUCLEAR MAGNETIC RESONANCE EXPERIMENT The Quantum Mechanical Model for the Isolated Proton Classical Description of the NMR Experiment Experimental Verification of Quantized Angular Momentum and of the Resonance Equation The NMR Experiment on Compact Matter and the Principle of the NMR Spectrometer Magnetic Properties of Nuclei beyond the Proton THE PROTON MAGNETIC RESONANCE SPECTRA OF ORGANIC MOLECULES - CHEMICAL SHIFT AND SPIN - SPIN COUPLING The Chemical Shift Spin - Spin Coupling GENERAL EXPERIMENTAL ASPECTS OF NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY Sample Preparation and Sample Tubes Internal and External Standards; Solvent Effects Tuning the Spectrometer Increasing the Sensitivity Measurement of Spectra at Different Temperatures PROTON CHEMICAL SHIFTS AND SPIN - SPIN COUPLING CONSTANTS AS FUNCTIONS OF STRUCTURE Origin of Proton Chemical Shifts Proton - Proton Spin - Spin Coupling and Chemical Structure THE ANALYSIS OF HIGH-RESOLUTION NUCLEAR MAGNETIC RESONANCE SPECTRA Notation for Spin Systems Quantum Mechanical Formalism The Hamilton Operator for High-Resolution Nuclear Magnetic Resonance Spectroscopy Calculation of Individual Spin Systems THE INFLUENCE OF MOLECULAR SYMMETRY AND CHIRALITY ON PROTON MAGNETIC RESONANCE SPECTRA Spectral Types and Structural Isomerism Influence of Chirality on the NMR Spectrum Analysis of Degenerate Spin Systems by Means of 13C Satellites and H/D Substitution PART II: Advanced Methods and Applications THE PHYSICAL BASIS OF THE NUCLEAR MAGNETIC RESONANCE EXPERIMENT. The NMR Signal by Pulse Excitation Relaxation Effects Pulse Fourier-Transform (FT) NMR Spectroscopy Experimental Aspects of Pulse Fourier-Transform Spectroscopy Double Resonance Experiments TWO-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY Principles of Two-Dimensional NMR Spectroscopy The Spin Echo Experiment in Modern NMR Spectroscopy Homonuclear Two-Dimensional Spin Echo Spectroscopy: Separation of the Parameters J and d for Proton NMR Spectra The COSY Experiment - Two-Dimensional 1H,1H Shift Correlations The Product Operator Formalism Phase Cycles Gradient Enhanced Spectroscopy Universal Building Blocks for Pulse Sequences Homonuclear Shift Correlation by Double Quantum Selection of AX Systems - the 2D-INADEQUATE Experiment Single-Scan 2D NMR MORE 1D AND 2D NMR EXPERIMENTS: THE NUCLEAR OVERHAUSER EFFECT - POLARIZATION TRANSFER - SPIN LOCK EXPERIMENTS - 3D NMR The Overhauser Effect Polarization Transfer Experiments Rotating Frame Experiments Multidimensional NMR Experiments CARBON-13 NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY Historical Development and the Most Important Areas of Application Experimental Aspects of Carbon-13 Nuclear Magnetic Resonance Spectroscopy Carbon-13 Chemical Shifts Carbon-13 Spin - Spin Coupling Constants Carbon-13 Spin - Lattice Relaxation Rates SELECTED HETERONUCLEI Semimetals and Non-metals with the Exception of Hydrogen and Carbon Main Group Metals Transition Metals INFLUENCE OF DYNAMIC EFFECTS ON NUCLEAR MAGNETIC RESONANCE SPECTRA Exchange of Protons between Positions with Different Larmor Frequencies Internal Dynamics of Organic Molecules Intermolecular Exchange Processes Line Broadening by Fast Relaxing Neighboring Nuclei NUCLEAR MAGNETIC RESONANCE OF PARTIALLY ORIENTED MOLECULES AND SOLID STATE NMR Nuclear Magnetic Resonance of Partially Oriented Molecules High-Resolution Solid State Nuclear Magnetic Resonance Spectroscopy SELECTED TOPICS OF NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY Isotope Effects in Nuclear Magnetic Resonance Nuclear Magnetic Resonance Spectroscopy of Paramagnetic Materials Chemically Induced Dynamic Nuclear Polarization (CIDNP) Diffusion-Controlled Nuclear Magnetic Resonance Spectroscopy - DOSY Unconventional Methods for Sensitivity Enhancement - Hyperpolarization Nuclear Magnetic Resonance in Biochemistry and Medicine INDEX

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Book SynopsisThis monograph reviews all relevant technologies based on mass spectrometry that are used to study or screen biological interactions in general. Arranged in three parts, the text begins by reviewing techniques nowadays almost considered classical, such as affinity chromatography and ultrafiltration, as well as the latest techniques. The second part focusses on all MS-based methods for the study of interactions of proteins with all classes of biomolecules. Besides pull down-based approaches, this section also emphasizes the use of ion mobility MS, capture-compound approaches, chemical proteomics and interactomics. The third and final part discusses other important technologies frequently employed in interaction studies, such as biosensors and microarrays. For pharmaceutical, analytical, protein, environmental and biochemists, as well as those working in pharmaceutical and analytical laboratories.Trade Review"Illustrated with beautiful artwork, the book presents a combination of topics that will be useful to inspire new work." (Analytical and Bioanalytical Chemistry 2016)Table of ContentsList of Contributors XIII Preface XVII Abbreviations XIX 1 Introduction to Mass Spectrometry, a Tutorial 1Wilfried M.A. Niessen and David Falck 1.1 Introduction 1 1.2 Figures of Merit 1 1.2.1 Introduction 1 1.2.2 Resolution 2 1.2.3 Mass Accuracy 4 1.2.4 General Data Acquisition in MS 5 1.3 Analyte Ionization 6 1.3.1 Introduction 6 1.3.2 Electrospray Ionization 8 1.3.3 Matrix-Assisted Laser Desorption Ionization 10 1.3.4 Other Ionization Methods 10 1.3.5 Solvent and Sample Compatibility Issues 11 1.4 Mass Analyzer Building Blocks 12 1.4.1 Introduction 12 1.4.2 Quadrupole Mass Analyzer 13 1.4.3 Ion-Trap Mass Analyzer 13 1.4.4 Time-of-Flight Mass Analyzer 15 1.4.5 Fourier Transform Ion Cyclotron Resonance Mass Spectrometer 16 1.4.6 Orbitrap Mass Analyzer 17 1.4.7 Ion Detection 18 1.5 Tandem Mass Spectrometry 18 1.5.1 Introduction: “Tandem-in-Time” and “Tandem-in-Space” 18 1.5.2 Ion Dissociation Techniques 20 1.5.3 Tandem Quadrupole MS–MS Instruments 21 1.5.4 Ion-Trap MSn Instruments 23 1.5.5 Tandem TOF (TOF–TOF) Instruments 23 1.5.6 Hybrid Instruments (Q–TOF, Q–LIT, IT–TOF) 24 1.5.7 MS–MS and MSn in FT-ICR-MS 26 1.5.8 Orbitrap-Based Hybrid Systems 27 1.5.9 Ion-Mobility Spectrometry–Mass Spectrometry 28 1.6 Data Interpretation and Analytical Strategies 30 1.6.1 Data Acquisition in MS Revisited 30 1.6.2 Quantitative Bioanalysis and Residue Analysis 31 1.6.3 Identification of Small-Molecule “Known Unknowns” 32 1.6.4 Identification of Drug Metabolites 33 1.6.5 Protein Molecular Weight Determination 37 1.6.6 Peptide Fragmentation and Sequencing 38 1.6.7 General Proteomics Strategies: Top-Down, Middle-Down, Bottom-Up 39 1.7 Conclusion and Perspectives 43 References 43 Part I Direct MS Based Affinity Techniques 55 2 Studying Protein–Protein Interactions by Combining Native Mass Spectrometry and Chemical Cross-Linking 57Michal Sharon and Andrea Sinz 2.1 Introduction 57 2.2 Protein Analysis by Mass Spectrometry 58 2.3 Native MS 59 2.3.1 Instrumentation for High-mass ion Detection 60 2.3.2 Defining the Exact Mass of the Composing Subunits 60 2.3.3 Analyzing the Intact Complex 61 2.4 Chemical Cross-linking MS 64 2.4.1 Types of Cross-linkers 64 2.4.2 MS/MS Cleavable Cross-linkers 66 2.4.3 Data Analysis 68 2.5 Value of Combining NativeMS with Chemical Cross-linkingMS 68 2.6 Regulating the Giant 69 2.7 Capturing Transient Interactions 70 2.8 An Integrative Approach for Obtaining Low-Resolution Structures of Native Protein Complexes 72 2.9 Future Directions 73 References 74 3 Native Mass Spectrometry Approaches Using Ion Mobility-Mass Spectrometry 81Frederik Lermyte, Esther Marie Martin, Albert Konijnenberg, Filip Lemière, and Frank Sobott 3.1 Introduction 81 3.2 Sample Preparation 82 3.3 Electrospray Ionization 84 3.4 Mass Analyzers and Tandem MS Approaches 88 3.5 Ion Mobility 90 3.6 Data Processing 95 3.7 Challenges and Future Perspectives 98 References 102 Part II LC–MS Based with Indirect Assays 109 4 Methodologies for Effect-Directed Analysis: Environmental Applications, Food Analysis, and Drug Discovery 111Willem Jonker, Marja Lamoree, Corine J. Houtman, and Jeroen Kool 4.1 Introduction 111 4.2 Principle of Traditional Effect-Directed Analysis 113 4.3 Sample Preparation 113 4.3.1 Environmental Analysis 113 4.3.2 Food Analysis 121 4.3.3 Drug Discovery 124 4.4 Fractionation for Bioassay Testing 126 4.4.1 Environmental Analysis 126 4.4.2 Food Analysis 130 4.4.3 Drug Discovery 131 4.5 Miscellaneous Approaches 133 4.6 Bioassay Testing 136 4.6.1 Environmental Analysis 136 4.6.2 Food Analysis 140 4.6.3 Drug Discovery 140 4.7 Identification and Confirmation Process 141 4.7.1 Instrumentation 141 4.7.2 Data Analysis 143 4.8 Conclusion and Perspectives 148 References 149 5 MS Binding Assays 165Georg Höfner and Klaus T.Wanner 5.1 Introduction 165 5.2 MS Binding Assays – Strategy 167 5.2.1 Analogies and Differences Compared to Radioligand Binding Assays 167 5.2.2 Fundamental Assay Considerations 169 5.2.3 Fundamental Analytical Considerations 170 5.3 Application of MS Binding Assays 171 5.3.1 MS Binding Assays for the GABA Transporter GAT1 171 5.3.2 MS Binding Assays for the Serotonin Transporter 183 5.3.3 MS Binding Assays Based on the Quantitation of the Nonbound Marker 187 5.3.4 Other Examples Following the Concept of MS Binding Assays 189 5.4 Summary and Perspectives 191 Acknowledgments 192 References 192 6 Metabolic Profiling Approaches for the Identification of Bioactive Metabolites in Plants 199Emily Pipan and Angela I. Calderón 6.1 Introduction to Plant Metabolic Profiling 199 6.2 Sample Collection and Processing 200 6.3 Hyphenated Techniques 203 6.3.1 Liquid Chromatography–Mass Spectrometry 203 6.3.2 Gas Chromatography–Mass Spectrometry 206 6.3.3 Capillary Electrophoresis–Mass Spectrometry 207 6.4 Mass Spectrometry 207 6.4.1 Time of Flight 208 6.4.2 Quadrupole Mass Filter 208 6.4.3 Ion Traps (Orbitrap and Linear Quadrupole (LTQ)) 209 6.4.4 Fourier Transform Mass Spectrometry 210 6.4.5 Ion Mobility Mass Spectrometry 210 6.5 Mass Spectrometric Imaging 210 6.5.1 MALDI-MS 211 6.5.2 SIMS-MS 212 6.5.3 DESI-MS 212 6.5.4 LAESI-MS 213 6.5.5 LDI-MS and Others for Imaging 213 6.6 Data Analysis 214 6.6.1 Data Processing 214 6.6.2 Data Analysis Methods 214 6.6.3 Databases 215 6.7 Future Perspectives 216 References 216 7 Antivenomics: A Proteomics Tool for Studying the Immunoreactivity of Antivenoms 227Juan J. Calvete, José María Gutiérrez, Libia Sanz, Davinia Pla, and Bruno Lomonte 7.1 Introduction 227 7.2 Challenge of Fighting Human Envenoming by Snakebites 227 7.3 Toolbox for Studying the Immunological Profile of Antivenoms 228 7.4 First-Generation Antivenomics 229 7.5 Snake Venomics 230 7.6 Second-Generation Antivenomics 232 7.7 Concluding Remarks 236 Acknowledgments 236 References 236 Part III Direct Pre- and On-Column Coupled Techniques 241 8 Frontal and Zonal Affinity Chromatography Coupled to Mass Spectrometry 243Nagendra S. Singh, Zhenjing Jiang, and Ruin Moaddel 8.1 Introduction 243 8.2 Frontal Affinity Chromatography 244 8.3 Staircase Method 247 8.4 Simultaneous Frontal Analysis of a Complex Mixture 249 8.5 Multiprotein Stationary Phase 252 8.6 Zonal Chromatography 253 8.7 Nonlinear Chromatography 260 Acknowledgments 265 References 265 9 Online Affinity Assessment and Immunoaffinity Sample Pretreatment in Capillary Electrophoresis–Mass Spectrometry 271Rob Haselberg and Govert W. Somsen 9.1 Introduction 271 9.2 Capillary Electrophoresis 272 9.3 Affinity Capillary Electrophoresis 276 9.3.1 Dynamic Equilibrium ACE (Fast Complexation Kinetics) 276 9.3.2 Pre-Equilibrium ACE (Slow Complexation Kinetics) 279 9.3.3 Kinetic ACE (Intermediate Complexation Kinetics) 280 9.4 Immunoaffinity Capillary Electrophoresis 281 9.5 Capillary Electrophoresis–Mass Spectrometry 283 9.5.1 General Requirements for Effective CE–MS Coupling 283 9.5.2 Specific Requirements for ACE–MS and IA-CE-MS 284 9.6 Application of ACE–MS 286 9.7 Applications of IA-CE–MS 292 9.8 Conclusions 295 References 296 10 Label-Free Biosensor Affinity Analysis Coupled to Mass Spectrometry 299David Bonnel, Dora Mehn, and Gerardo R. Marchesini 10.1 Introduction to MS-Coupled Biosensor Platforms 299 10.2 Strategies for Coupling Label-Free Analysis with Mass Spectrometry 301 10.2.1 On-Chip Approaches 301 10.2.2 Off-Chip Configurations 305 10.2.3 Chip Capture and Release Chromatography – Electrospray-MS 306 10.3 New Sensor and MS Platforms, Opportunities for Integration 307 10.3.1 Imaging Nanoplasmonics 307 10.3.2 EvanescentWave SiliconWaveguides 308 10.3.3 New Trends in MS Matrix-Free Ion Sources 309 10.3.4 Tag-Mass 310 10.3.5 Integration 310 References 310 Part IV Direct Post Column Coupled Affinity Techniques 317 11 High-Resolution Screening: Post-Column Continuous-Flow Bioassays 319David Falck,Wilfried M.A. Niessen, and Jeroen Kool 11.1 Introduction 319 11.1.1 Variants of On-line Post-Column Assays Using Mass Spectrometry 321 11.1.2 Targets and Analytes 328 11.2 The High-Resolution Screening Platform 330 11.2.1 Separation 330 11.2.2 Flow Splitting 334 11.2.3 Bioassay 336 11.2.4 MS Detection 340 11.3 Data Analysis 342 11.3.1 Differences between HRS and HTS 342 11.3.2 Validation 350 11.4 Conclusions and Perspectives 353 11.4.1 The Relation of On-line Post-Column Assays to Other Formats 353 11.4.2 Trends in High-Resolution Screening 354 11.4.3 Conclusions 357 References 358 12 Conclusions 365Jeroen Kool Index 373

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Book SynopsisProvides comprehensive coverage of laser-induced ionization processes for mass spectrometry analysis Drawing on the expertise of the leading academic and industrial research groups involved in the development of photoionization methods for mass spectrometry, this reference for analytical scientists covers both the theory and current applications of photo-induced ionization processes. It places widely used techniques such as MALDI side by side with more specialist approaches such as REMPI and RIMS, and discusses leading edge developments in ultrashort laser pulse desorption, to give readers a complete picture of the state of the technology. Photoionization and Photo-Induced Processes in Mass Spectrometry: Fundamentals and Applications starts with a complete overview of the fundamentals of the technique, covering the basics of the gas phase ionization as well as those of laser desorption and ablation, pulse photoionization, and single particle ionization. Numerous application examples from different analytical fields are described that showcase the power and the wide scope of photo ionization in mass spectrometry. The first general reference book on photoionization techniques for mass spectrometry Examines technologies and applications of gas phase resonance-enhanced multiphoton ionization mass spectrometry (REMPI-MS) and gas phase resonance ionization mass spectrometry (RIMS) Provides complete coverage of popular techniques like MALDI Discusses the current and potential applications of each technology, focusing on process and environmental analysis Photoionization and Photo-Induced Processes in Mass Spectrometry: Fundamentals and Applications is an excellent book for spectroscopists, analytical chemists, photochemists, physical chemists, and laser specialists.Trade Review"...a well balanced book presenting an up-to-date monograph covering the entire range of topics related to this field. As promised in the subtitle, it combines explanatory sections on the underlying principles of photoionization processes and application orientated chapters. Overall, it presents a highly recommended resource of the wide field of photoionization in mass spectrometry. "—Jürgen H. Gross, Analytical and Bioanalytical Chemistry, May 2021Table of ContentsPreface xi 1 Fundamentals and Mechanisms of Vacuum Photoionization 1Johannes Passig, Ralf Zimmermann, and Thomas Fennel 1.1 Preface 1 1.2 Light 2 1.3 Photoabsorption 5 1.3.1 Transitions in First Order Perturbation Theory 5 1.3.2 Perturbation Theory 6 1.3.3 Absorption 7 1.3.4 Dipole Approximation 9 1.3.5 Selection Rules 11 1.3.6 Electronic Line Width and Lifetime 11 1.3.7 Electronic Transitions of Molecules 13 1.3.8 Single-photon Ionization (SPI) 15 References 20 2 Fundamentals and Mechanisms of Resonance-Enhanced Multiphoton Ionization (REMPI) in Vacuum and its Application in Molecular Spectroscopy 23Ulrich Boesl and Ralf Zimmermann 2.1 Introductory Remarks 23 2.2 Beginnings of REMPI 25 2.3 Principle of REMPI: Rate Equations and Quantification of Detection Efficiency 29 2.3.1 Rate Equations 29 2.3.2 Quantification of the REMPI Detection Efficiency 31 2.3.3 Special Situations and Problems in REMPI Processes and Countermeasures 33 2.3.3.1 Situation (A): Too energetic ionization threshold 34 2.3.3.2 Situation (B): Too energetic intermediate state 35 2.3.3.3 Situation (C): Too small FC-factors 36 2.3.3.4 Situation (D): Too fast relaxation of intermediate state 37 2.4 REMPI and Dissociation 40 2.5 Application of REMPI for Optical Spectroscopy 45 2.5.1 Effusive Gas Beam Molecules at Room or Elevated Temperature: REMPI Spectra with Medium Optical Selectivity 45 2.5.2 Supersonic Gas Beams for Cold Molecules: REMPI Spectra with High Optical Selectivity for Discrimination of Structural Isomers and Spectroscopic Studies on the Transition State 48 2.5.2.1 REMPI Spectroscopy of Jet-Cooled Biphenylene 50 2.5.2.2 REMPI Spectroscopy of Jet-Cooled Dibenzo-p-dioxin and Its Derivatives as well as of [2,2]-Paracyclophane 61 2.5.3 Supersonic Gas Beams for Cold Molecules: REMPI Spectra with High Optical Selectivity for Discrimination of Isotopomers 67 2.5.4 Chiral Molecules: Discrimination of Enantiomers by Enantioselective REMPI Spectroscopy 69 2.5.5 Advanced Photoelectron Spectroscopy Based on REMPI: The PES, TPES, ZEKE, MATI, Anion-PES, and Anion-ZEKE Approaches 72 References 79 3 Analytical Application of Single-Photon Ionization Mass Spectrometry (SPI-MS) 89Thorsten Streibel, Hendryk Czech, and Ralf Zimmermann 3.1 VUV Light Sources 89 3.2 Lamp-Based VUV Light Sources 90 3.3 Laser-Based VUV Light Sources 92 3.4 Mass Spectrometry with Lamp or Laser-Based VUV Light Sources 94 3.5 On-line Analysis of Complex Mixtures by Single-Photon Ionization (SPI) Mass Spectrometry 95 3.6 SPI-MS in Hyphenated Applications 107 3.7 Ambient Monitoring 117 3.8 Commercial Solutions 118 References 119 4 Analytical Application of Resonance-Enhanced Multiphoton Ionization Mass Spectrometry (REMPI-MS) 125Thorsten Streibel, Ulrich Boesl, and Ralf Zimmermann 4.1 Investigation of Model Flames 129 4.2 Applications to Internal Combustion Engines 130 4.3 Monitoring Combustion Process Emissions in an Industrial Environment 135 4.4 Further Applications of REMPI Mass Spectrometry 138 4.5 REMPI-MS in Hyphenated Analytical Systems 142 4.6 Commercial REMPI-MS Solutions and Applications 150 References 152 5 Probing Chemistry at Vacuum Ultraviolet Synchrotron Light Sources 159Kevin R. Wilson and Fei Qi 5.1 Introduction 159 5.2 Combustion Chemistry 162 5.2.1 Pyrolysis in Flow Reactor 163 5.2.2 Jet-Stirred Reactor Oxidation 166 5.2.3 Premixed Flames 167 5.2.3.1 Low-Pressure Laminar Premixed Flame 167 5.2.3.2 Atmospheric Pressure Laminar Premixed Flame 171 5.2.4 Coflow Diffusion Flame 173 5.2.5 Biomass/Coal Pyrolysis 174 5.3 Isomer-Resolved Studies of Elementary Chemical Reactions 176 5.3.1 Multiplexed Chemical Kinetics Photoionization Mass Spectrometer 177 5.3.2 Shock Tube Kinetics 179 5.3.3 Pyrolysis Reactors 180 5.3.3.1 Bimolecular Kinetics 181 5.3.3.2 Unimolecular Kinetics 181 5.3.4 Low-Temperature Elementary Reactions in a Pulsed Laval Nozzle 182 5.4 Summary 186 5.4.1 Atmospheric Aerosol Chemistry 188 5.4.1.1 Aerosol Mass Spectrometry 189 5.4.1.2 Gas Chromatography and SVUV Photoionization Mass Spectrometry 195 5.4.2 Future Outlook 202 Acknowledgments 203 References 203 6 Resonance Ionization Mass Spectrometry (RIMS): Fundamentals and Applications Including Secondary Neutral Mass Spectrometry 215Michael Savina and Reto Trappitsch 6.1 Introduction 215 6.2 Resonance Ionization Fundamentals 217 6.2.1 Laser Spectroscopy 217 6.2.2 Selection Rules 220 6.2.3 Odd–Even Effect 222 6.3 Reduction to Practice 224 6.3.1 Laser Selection 224 6.3.2 Mass Spectrometer Selection 225 6.3.3 Laser Overlap 229 6.4 Applications 230 6.4.1 Useful Yield and Abundance Sensitivity 231 6.4.2 Stardust Grains 234 6.4.3 Multielement Analysis 236 6.4.4 Electronic Processes During Vaporization 238 6.5 Resources 240 References 241 7 Ultrashort Pulse Photoionization for Femtosecond Laser Mass Spectrometry 245Cornelius L. Pieterse, Jason M. Gross, and Luke Hanley 7.1 Introduction 245 7.2 Mechanisms of Ultrashort Pulse Photoionization 246 7.3 Studies of Amino Acids, Dipeptides, and C60 Leading to Advanced SFI Models 249 7.4 Volumetric Intensity Dependence and Multiply Charged Ions 251 7.5 Direct and Gas Chromatography-Coupled Analysis of Explosives 253 7.6 Gas Chromatography-Coupled Analysis of Polyaromatic Hydrocarbons, Pesticides, and Fragrances 255 7.7 Laser Secondary Neutral Mass Spectrometry 256 7.8 Conclusions 259 Acknowledgments 260 Disclosure Statement 260 References 261 8 Photoionization at Elevated or Atmospheric Pressure: Applications of APPI and LPPI 267Tiina J. Kauppila and Jack Syage 8.1 Introduction 267 8.2 Atmospheric Pressure Photoionization 267 8.2.1 Atmospheric Pressure Photoionization Ion Source 267 8.2.2 General Principles of Atmospheric Pressure Photoionization 268 8.2.2.1 Ionization Mechanism in Positive Ion APPI 268 8.2.2.2 Effect of the Dopant 270 8.2.2.3 Ionization Mechanism in Negative Ion APPI 271 8.2.3 APPI in Liquid Chromatography Mass Spectrometry 272 8.2.4 APPI in Gas Chromatography Mass Spectrometry 274 8.2.5 APPI As an Interface for Capillary Electrophoresis Mass Spectrometry 277 8.2.6 APPI in Multimode Ion Sources 278 8.2.7 Ambient Mass Spectrometry Utilizing Photoionization 278 8.3 Low-Pressure Photoionization (LPPI) 279 8.4 Applications of APPI and LPPI 281 8.4.1 Drugs, Pharmaceuticals, and Metabolites 281 8.4.2 Steroids 288 8.4.3 Other Endogenic Compounds 288 8.4.4 Plant Research 289 8.4.5 Environmental Monitoring 289 8.4.6 Oil Analysis 291 8.4.7 Food Analysis 291 8.5 Conclusions 292 Acknowledgments 292 References 292 9 Fundamentals of Laser Desorption Ionization 305Fabrizio Donnarumma, Kermit K. Murray, and Luke Hanley 9.1 Introduction 305 9.2 Experimental and Computational Parameters and Observables 306 9.3 General Mechanistic Considerations 307 9.4 Laser-Induced Thermal or Acoustic Desorption of Neutrals from Metal Surfaces 307 9.5 Molecular Resonantly Enhanced Desorption: UV-MALDI and IR-LA 309 9.5.1 MALDI with UV Lasers 310 9.5.2 Nanosecond to Picosecond IR Laser Ablation 313 9.6 Nanophotonic Desorption 314 9.7 Femtosecond Laser Ablation 315 9.8 Internal Energy Transferred by LDI and Supersonic Cooling 317 9.9 Conclusions 318 Acknowledgments 319 Disclosure Statement 319 References 319 10 Applications of Laser Desorption Ionization and Laser Desorption/Ablation with Postionization 327Yeni P. Yung, Fabrizio Donnarumma, Kermit K. Murray, and Luke Hanley 10.1 Nature of Samples and Information to be Gained from Laser Desorption and Laser Ablation Mass Spectrometry 327 10.2 Laser Ablation and Laser Desorption Ionization MS for Elemental Analysis 328 10.3 Nonimaging MALDI-MS for Molecular Analysis 329 10.3.1 Qualitative and Quantitative Performance for Different Types of Analytes 329 10.3.2 Peptides, Proteins, Lipids, and Sugars 330 10.3.3 DNA and RNA 330 10.3.4 Polymers 331 10.4 MALDI-MS Imaging for Molecular Analyses 332 10.5 Example of Standard MALDI-MS vs. Imaging Mode: Pseudomonas aeruginosa 333 10.6 MALDI Alternatives: Matrix Free, Ambient, Nanostructure Induced, and High Energy 335 10.7 Molecular LD/LA-MS Beyond Nanosecond UV Lasers 336 10.8 Laser, Electrospray, and Other Postionization of Plumes Formed by LD/LA 337 10.8.1 LDPI-MS: Laser Desorption Postionization of Neutrals in Vacuum 337 10.8.2 Postionization Coupled to LD/LA at Elevated Pressures 340 10.9 Laser Ablation Sampling for Solid or Liquid Collection 341 10.9.1 Laser Ablation Sampling with Online MS Analysis 342 10.9.2 Laser Ablation Sampling with Off-line Analysis 343 10.10 Conclusions 344 Acknowledgments 345 Disclosure Statement 345 References 345 11 Laser Ionization in Single-Particle Mass Spectrometry 359Johannes Passig and Ralf Zimmermann 11.1 Relevance of Atmospheric Aerosols for Climate and Health –The Single-particle Perspective 359 11.2 Analysis of Individual Particles by Laser Ionization MS – Historical Development and Basic Principle 362 11.3 Ionization in Single-Particle Mass Spectrometry: Laser Desorption/Ionization (LDI) 365 11.3.1 Single-Particle LDI – The Physical Framework 366 11.3.2 Laser Light Sources for LDI 371 11.3.3 Chemical Quantification Approaches for LDI 372 11.4 Ionization in SPMS: Laser Photoionization of Previously Desorbed Species 373 11.5 Instrumental Realizations 381 11.5.1 Mass Analyzers 381 11.5.2 Aerosol Inlet 383 11.5.3 Particle Sizing 384 11.6 Data Evaluation 386 11.7 Applications 387 11.7.1 Ambient Aerosols in Urban and Densely Populated Areas 387 11.7.2 Ambient Aerosols in Rural and Marine Environments 388 11.7.3 Aircraft-Based Studies 389 11.7.4 In Situ Characterization of Cloud and Ice Condensation Nuclei 389 11.7.5 Focus on Organic Compounds 390 11.7.6 Bioaerosols 392 11.7.7 Combustion Aerosols 392 11.8 Commercial Laser Ionization Single-Particle Mass Spectrometry Systems 393 References 394 Index 413

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Book SynopsisThis second edition of the successful ready reference is updated and revised with approximately 30% new content to reflect the numerous instrumental developments and improvements, as well as the significant expansion of this rapidly developing field. For example, the combination of IR imaging with AFM has enhanced the achievable lateral resolution by an order of magnitude down to a few hundred nanometers, thus launching a multiplicity of new applications in material science. Furthermore, Raman and IR spectroscopic imaging have become key technologies for the life sciences and today contribute tremendously to a better and more detailed understanding of numerous biological and medical research topics. The topical structure of this new edition is now subdivided into four parts. The first treats the fundamentals of the instrumentation for infrared and Raman imaging and mapping and an overview on the chemometric tools for image analysis. The second part describes a wide varie-ty of applications ranging from biomedical via food, agriculture and plants to polymers and pharmaceuticals. This is followed by a description of imaging techniques operating beyond the diffraction limit, while the final part covers special methodical developments and their utility in specific fields. With its many valuable practical tips, this is a must-have overview for researchers in academic and industrial laboratories wishing to obtain reliable results with this method.Trade Review“This book is an excellent addition to the bookshelves of vibrational spectroscopic imaging practitioners as well as researchers in related fields, including biology, medicine, surface analysis, process control, forensics, and others.” (Anal Bioanal Chem, 10 May 2015)Table of ContentsPreface PART I: Basic Methodology INFRARED AND RAMAN INSTRUMENTATION FOR MAPPING AND IMAGING Introduction to Mapping and Imaging Mid-Infrared Microspectroscopy and Mapping Raman Microspectroscopy and Mapping Near-Infrared Hyperspectral Imaging Raman Hyperspectral Imaging Mid-Infrared Hyperspectral Imaging Mapping with Pulsed Terahertz Radiation Summary CHEMOMETRIC TOOLS FOR IMAGE ANALYSIS Introduction Hyperspectral Images: The Measurement Image Preprocessing Exploratory Image Analysis Quantitative Image Information: Multivariate Image Regression (MIR) Image Segmentation Image Resolution Future Trends PART II: Biomedical Applications VIBRATIONAL SPECTROSCOPIC IMAGING OF SOFT TISSUE Introduction Preparation of Soft Tissue for Vibrational Spectroscopic Imaging Applications to Soft Tissue Conclusions VIBRATIONAL SPECTROSCOPIC ANALYSIS OF HARD TISSUES Introduction Importance of Tissue Age versus Specimen Age FT-IR Spectroscopy Raman Spectroscopy Clinical Applications of Raman Spectroscopy MEDICAL APPLICATIONS OF INFRARED SPECTRAL IMAGING OF INDIVIDUAL CELLS Introduction Methods Results and Discussion Future Potential of SCP/Conclusions PART III: Agriculture, Plants, and Food INFRARED AND RAMAN SPECTROSCOPIC MAPPING AND IMAGING OF PLANT MATERIALS Introduction, Background, and Perspective Application of Mapping and Imaging to Horticultural Crops Application of Mapping and Imaging to Agricultural Crops Mapping and Imaging of Wild Plants and Trees Application of Mapping and Imaging to Algae Interaction Between Plant Tissue and Plant Pathogens NIR HYPERSPECTRAL IMAGING FOR FOOD AND AGRICULTURAL PRODUCTS Introduction HSI as a "Super" NIR Analyzer NIR HS Imager as a "Super" Vision System Conclusion PART IV: Polymers and Pharmaceuticals FT-IR AND NIR SPECTROSCOPIC IMAGING: PRINCIPLES, PRACTICAL ASPECTS, AND APPLICATIONS IN MATERIAL AND PHARMACEUTICAL SCIENCE Introduction Instrumentation for NIR and FT-IR Imaging Applications of FT-IR and FT-NIR Imaging for Polymer Characterization NIR Imaging Spectroscopy for Quality Control of Pharmaceutical Drug Formulations FT-IR Spectroscopic Imaging of Inorganic Materials FT-IR IMAGING IN ATR AND TRANSMISSION MODES: PRACTCAL CONSIDERATIONS AND EMERGING APPLICATIONS FT-IR Imaging: Introduction FT-IR Imaging: Technical Considerations Practical Applications Conclusion and Outlook TERAHERTZ IMAGING OF DRUG PRODUCTS Introduction Low Wavenumber Region in the Infrared Spectrum THz-TDS Technology and Applications THz Imaging in the Pharmaceutical Industry Going Forward Competition versus Cost: A Challenge for the Future Conclusion PART V: Imaging Beyond the Diffraction Limit SPECTROSCOPIC IMAGING OF BIOLOGICAL SAMPLES USING NEAR-FIELD METHODS Tip-Enhanced Raman Scattering (TERS) Detection of Biomolecules Biopolymers Membranes, Viruses, and Bacteria Conclusion INFRARED MAPPING BELOW THE DIFFRACTION LIMIT Introduction and Description of Early Work Near-Field Microscopy by Elastic Scattering from a Tip PART VI: Developments in Methodology SUBSURFACE RAMAN SPECTROSCOPY IN TURBID MEDIA Introduction Techniques for Deep Noninvasive Raman Spectroscopy Examples of Application Areas Conclusions NONLINEAR VIBRATIONAL SPECTROSCOPIC MICROSCOPY OF CELLS AND TISSUE Introduction Principles of Nonlinear Optical Imaging Instrumentation for Multimodal Nonlinear Microscopy Applications WIDEFIELD FT-IR 2D AND 3D IMAGING AT THE MICROSCALE USING SYNCHROTRON RADIATION Introduction Optical Evaluation Mathematical Evaluation of Hyperspectral Cubes Widefield versus Raster Scanning Geometries Examples Conclusions Index

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Book SynopsisClear, comprehensive, and state of the art, the groundbreaking book on the emerging technology of direct analysis in real time mass spectrometry Written by a noted expert in the field, Direct Analysis in Real Time Mass Spectrometry offers a review of the background and the most recent developments in DART-MS. Invented in 2005, DART-MS offers a wide range of applications for solving numerous analytical problems in various environments, including food science, forensics, and clinical analysis. The text presents an introduction to the history of the technology and includes information on the theoretical background, for exampleon the ionization mechanism. Chapters on sampling and coupling to different types of mass spectrometers are followed by a comprehensive discussion of a broad range of applications. Unlike most other ionization methods, DART does not require laborious sample preparation, as ionization takes place directly on the sample surface. This makes the technique especially attractive for applications in forensics and food science. Comprehensive in scope, this vital text: -Sets the standard on an important and emerging ionization technique -Thoroughly discusses all the relevant aspects from instrumentation to applications -Helps in solving numerous analytical problems in various applications, for example food science, forensics, environmental and clinical analysis -Covers mechanisms, coupling to mass spectrometers, and includes information on challenges and disadvantages of the technique Academics, analytical chemists, pharmaceutical chemists, clinical chemists, forensic scientists, and others will find this illuminating text a must-have resource for understanding the most recent developments in the field.Table of ContentsPreface xv About the Editor xvii 1 Introduction of Mass Spectrometry and Ambient Ionization Techniques 1Yiyang Dong, Jiahui Liu, and Tianyang Guo 1.1 Evolution of Analytical Chemistry and Its Challenges in the Twenty-First Century 1 1.2 Historical Overview of Mass Spectrometry and Its Role in Contemporary Analytical Chemistry 5 1.3 Desorption/Ionization in Mass Spectrometry 12 1.3.1 Electronic Ionization (EI) 13 1.3.2 Chemical Ionization (CI) 14 1.3.3 Fast Atom/Ion Bombardment Ionization (FAB) 15 1.3.4 Electrospray Ionization (ESI) 16 1.3.5 Matrix Assisted Laser Desorption/Ionization (MALDI) 18 1.3.6 Field Desorption (FD) or Field Ionization (FI) 19 1.3.7 Plasma Desorption (PD) (ICP, LTP, DART) 19 1.4 Ambient Ionization and Direct Analysis in Real Time 21 1.4.1 Ambient Ionization 21 1.4.2 Direct Analysis in Real Time 24 1.4.2.1 Mechanisms 24 1.4.2.2 Parameters 27 1.4.2.3 Devices 29 References 30 2 DART Mass Spectrometry: Principle and Ionization Facilities 43David Rondeau 2.1 Introduction 43 2.2 Metastable Gas Stream Formation 43 2.3 Ionization Mechanisms in Positive DART 45 2.3.1 Generation of Primary Ions by Ambient Air Ionization 46 2.3.2 Formation of the Protonated Molecules 50 2.3.3 Formation of the Ammonium Adducts 54 2.3.4 Formation of the Radical Cations and Their Fragments 55 2.3.5 Matrix Effects in DART Due to Sample Solvents 59 2.4 Ionization Mechanisms in Negative DART 65 2.4.1 Generation of Primary Ions by Ambient Air Ionization 65 2.4.2 Formation of Deprotonated Molecules 68 2.4.3 Formation of Radical Anions 69 2.4.4 Formation of Anionic Adducts 70 2.5 Some Parameters Affecting the DART Mass Spectra 71 2.5.1 Substitution of Helium by Nitrogen or Argon 71 2.5.2 The Temperature of the Gas Stream 75 2.5.3 The Internal Energy of Ions in DART-MS 76 2.6 Conclusion 78 References 78 3 Sampling and Analyte Enrichment Strategies for DART-MS 81WenMa, Xianjiang Li, and Huwei Liu 3.1 Dilution Strategy for Sticky Sample Analysis 81 3.2 Purification Strategy for Eliminating the Matrix Interference 82 3.2.1 Liquid Phase Extraction 82 3.2.2 Solid Phase Extraction (SPE) 86 3.2.3 Solid Phase Microextraction (SPME) 87 3.3 Derivatization Strategy to Decrease Polarity and Enhance Volatility 89 3.4 Conclusions 91 References 91 4 Optimization of DART andMass Spectrometric Parameters 97GuohuaWu andWushuang Li 4.1 Introduction 97 4.2 Effect ofWorking Gas Type, Gas Flow Rate, and Its Temperature 98 4.2.1 Gas Type 98 4.2.2 Gas Flow Rate 99 4.2.3 TheWorking Gas Temperature of DART Ionization Source 100 4.3 Effects of Grid Electrode Voltage and Sampling Speed 102 4.3.1 Effect of Grid Electrode Voltage 102 4.3.2 Effect of Sampling Speed 103 4.4 Effect of the SamplingMode 104 4.4.1 SamplingMethods 104 4.4.2 Position and Angle of the DART Ion Source 105 4.5 Effect of Ion Mode 106 4.6 Effect of Solvent Type and Reagents 108 4.7 Summary 109 References 109 5 Interfacing DART to Extend Analytical Capabilities 115Yiding Zhang, Shuting Xu, and Yu Bai 5.1 Introduction 115 5.2 Interfacing DART with Different Separation Techniques 116 5.2.1 Solid Samples 116 5.2.2 Gaseous Samples 118 5.2.3 Liquid Samples 119 5.2.3.1 Liquid Chromatography 119 5.2.3.2 Capillary Electrophoresis 123 5.3 Techniques of Interfacing DART with Other Analytical Techniques 125 5.3.1 Surface Plasmon Resonance 125 5.3.2 Ion Mobility Spectrometry 126 5.4 Conclusion and Perspectives 129 References 129 6 Application of DART-MS in Foods and Agro-Products Analysis 133Canping Pan and Lei Wang 6.1 Introduction 133 6.2 Applications of DART-MS in Agriculture and Food Science 134 6.2.1 DART-MS in Pesticide Residue Analysis 134 6.2.1.1 Fast Screening Purposes 134 6.2.1.2 Screening Highly Hazardous Pesticides in Agrochemical Formulations 140 6.2.1.3 QuantitativeMRM Residue Method 147 6.2.2 Veterinary Drug Residue Detection 148 6.2.3 Fast Detection of Melamine in Milk 149 6.2.4 Detection of Mycotoxins in Cereals 150 6.2.5 Food Component Rapid Analysis 151 6.2.6 Contaminations in Food Contact Materials (FCMs) 156 6.3 Conclusion 156 References 157 7 Application of DART-MS for Industrial Chemical Analysis 163Qiang Ma 7.1 Application on Household Items 163 7.1.1 Polydimethylsiloxane (PDMS) Analysis in Articles for Daily Use 163 7.1.2 Identification of Sulfides in Drywall 165 7.1.3 Phosphoric Acid Esters Screening in Aqueous Samples 168 7.2 Application on Food Packaging Safety and Quality Control 172 7.2.1 Identification of PDMS in Food Packaging Materials 172 7.2.2 Identification of Polymer Additives in Food and Food Packaging 175 7.2.3 Identification of Residue Primary Aromatic Amines (PAAs) in Food Packaging Materials 176 7.3 Application on Pharmaceutical Products 177 7.3.1 Toxic Glycols Identification 177 7.3.2 Identification of Active Ingredients in Chinese Herbal Medicines 179 7.4 Application on Cosmetics Quality Control 182 7.4.1 Screening of Glucocorticoids Illegal Addition 182 7.5 Application on Other Industrial Chemical Fields 184 7.5.1 Ink Discrimination on Questioned Document 184 7.5.2 Ionic Liquids Identification 189 7.6 Conclusions 190 References 190 8 Application of Direct Analysis in Real Time Coupled toMass Spectrometry (DART-MS) for the Analysis of Environmental Contaminants 193Maxime C. Bridoux and Sébastien Schramm 8.1 Introduction 193 8.2 Screening and Quantitative Analysis of Pesticides 194 8.3 Flame Retardants DART-MS Analysis 204 8.3.1 Organophosphorus Flame Retardants (OPFRs) 204 8.3.2 Brominated Flame Retardants (BFRs) 207 8.4 Use of DART-MS for the Analysis of Personal Care Products (PCPs) 210 8.4.1 Screening of Organic UV Filters inWater 210 8.4.2 Screening of Phthalic Acid Diesters 211 8.4.3 HPLC-DART-MS Analysis of Parabens 211 8.5 Use of DART-MS for the Analysis of Aerosols 212 8.5.1 Online DART for Aerosols Analysis 212 8.5.2 Offline DART Methods 213 8.5.3 Advantages and Limitations of DART-MS for Aerosols Characterization 213 8.6 Miscellaneous Environmental Application of DART-MS 214 8.7 Conclusions 215 References 216 9 Application of DART-MS in Clinical and Pharmacological Analysis 223Yue Li 9.1 Introduction 223 9.2 Sample Preparation 224 9.3 Applications of DART-MS 225 9.3.1 Rapid Determination of Small Organic Compounds in Biological Samples 225 9.3.1.1 Analysis of a Bitter Herbal Medicine Gentiana scabra Root Extract 225 9.3.1.2 Simultaneous Determination of 3-Chlorotyrosine and 3-Nitrotyrosine in Human Plasma 226 9.3.1.3 Rapid Screening for Methamphetamine, 3,4-Methylene-dioxymethamphetamine, andTheir Metabolites in Urine 227 9.3.2 Newborn Screening for Phenylketonuria 227 9.3.3 DART-MS Analysis of Skin Metabolome Changes in Ultraviolet B-Induced Mice 228 9.3.4 Application in Detection of Breast Cancer 231 9.3.5 Transmission Mode DART-MS for Fast Untargeted Metabolic Fingerprinting 232 9.3.6 Applications of Confined DART Ion Source for Online In vivo Analysis of Human Breath 233 9.3.6.1 Real-Time Analysis of Exhaled Breath 234 9.3.6.2 Real-Time Monitoring of Oral Anesthetic Drug 235 9.4 Challenges and Limitations 236 9.5 Recent Advancements 237 References 238 10 DART-MS Applications in Pharmaceuticals 241Karina G. Putri, Qianwen Wu, and Young P. Jang 10.1 Pharmaceutical Analysis 241 10.2 Quality Assurance 243 10.3 Illegal Active Pharmaceutical Ingredients and Counterfeit Drugs 244 10.4 Drug Development 247 References 251 11 Application of DART-MS in Natural Phytochemical Research 255Vikas Bajpai, Awantika Singh, Brijesh Kumar, and Kunnath P. Madhusudanan 11.1 Introduction 255 11.2 Direct Analysis in Real Time (DART)Mass Spectrometry 256 11.3 DART-MS Parameter Optimization for Phytochemical Analysis 256 11.4 Applications of DART-MS in Phytochemical Research 257 11.4.1 Qualitative Phytochemical Analysis 257 11.4.2 Cell Culture Analysis 261 11.4.3 Analysis of Volatiles 261 11.4.4 Species Identification 262 11.4.5 Metabolic Profiling and Multivariate Analysis 263 11.4.6 Quantitative Analysis 274 11.5 Hyphenated DART-MS Techniques for Phytochemical Analysis 276 11.5.1 GC and HPLC-DART-MS 276 11.5.2 TLC/HPTLC-DART-MS 276 11.5.3 Capillary Electrophoresis-DART MS 277 11.5.4 DART-IMS-MS 277 11.5.5 Other Coupling Techniques 277 11.6 Improving Sensitivity of DART-MS for Phytochemical Analysis 278 11.6.1 Solvents and Gases 278 11.6.2 Matrix Suppression 279 11.7 DART -MS as Process Analytical Technology 279 11.8 Future Perspective 280 References 280 12 Miscellaneous Applications of DART-MS 291Yoshihito Okada 12.1 Introduction 291 12.2 Usefulness of Negative-IonMode 292 12.3 Application to Archeology and Conservation 293 12.4 Application by Using TLC 293 12.5 Application to Low Volatility, ChemicalWarfare, and Homeland Security 294 12.6 Pheromone Profiles from Live Animals in Parallel with Behavior 295 12.7 Application to Distinction of Plants with Similarity 296 12.8 Application to Space 298 12.9 Application to Bituminous Coals 298 12.10 Application to Detection of Nicotine 298 12.11 Other Potential Applications of DART-MS 299 12.11.1 Instantaneous Screening for Counterfeit Drugs with No Sample Preparation [26-1] 299 12.11.2 Direct Analysis of Drugs in Pills and Capsules with No Sample Preparation [26-2] 300 12.11.3 Detection of Lycopene in Tomato Skin [26-3] 300 12.11.4 Distribution of Capsaicin in Chili Peppers [26-4] 302 12.11.5 Detection of Unstable Compound Released by Chopped Chives [26-5] 302 12.11.6 Rapid Detection of Fungicide in Orange Peel [26-6] 304 12.11.7 "Laundry Detective": Identification of a Stain [26-7] 304 12.11.8 Detection of the Peroxide Explosives TATP and HMTD [26-8] 306 12.11.9 Instantaneous Detection of Explosives on Clothing [26-9] 306 12.11.10 Rapid Detection and Exact Mass Measurements of Trace Components in a Herbicide [26-10] 308 12.11.11 Rapid Analysis of p-Phenylenediamine Antioxidants in Rubber [26-11] 308 Acknowledgment 309 References 309 13 Inherent Limitations and Prospects of DART-MS 313Tim T. Häbe, Matthias Nitsch, and Gertrud E. Morlock 13.1 Aspects of Inherent Limitations of DART-MS 313 13.1.1 Gas Settings 314 13.1.1.1 Type of Gas 314 13.1.1.2 Gas Temperature 314 13.1.1.3 Gas Flow Rate 317 13.1.2 Voltage of Electrodes 317 13.1.3 Sample Introduction and Positioning 318 13.1.4 Detection System and Mass Range 318 13.1.5 Matrix Effects and the Need for Chromatography 319 13.1.6 Buffer and Salt Effects 321 13.1.7 Sample Carrier and Solvent 322 13.1.8 Humidity Effects 322 13.1.9 Use of Isotopically Labeled Standards 322 13.1.10 Dopant and Derivatization 323 13.2 DART versus Other Ambient Ion Sources 324 13.3 Prospects of DART-MS 326 13.3.1 Automation and Miniaturized DART-MS 326 13.3.2 Sample Preparation, Preconcentration, and Introduction 327 13.3.3 Ion Focusing and Flexible Ion Transportation 327 13.3.4 Quantitative Surface Scanning and Imaging by DART-MS 328 13.3.5 Hyphenation of Effect-Directed Analysis and DART-MS 331 13.3.6 Thermal Separations by Temperature Gradients 331 13.3.7 Aerosol, in situ and in stillo Chemical Reaction and Kinetic Monitoring 332 13.3.8 High Resolution and Data Analysis 332 13.4 Concluding Remarks 333 References 333 Index 345

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Book SynopsisThis invaluable and up-to-date source on instruments and applications covers everything needed to employ a technique for investigating various gases and materials, including biomaterials. It includes the latest developments in light sources, signal recovery and numerical methods. There is no other single publication that reviews the entire subject of photoacoustic infrared spectroscopy in such detail. Physicists, chemists, and spectroscopists in both academic and industrial laboratories, polymer and organic chemists, analysts in industry, forensic and government laboratories, and materials scientists will find this book to be a vital resource.Trade Review Table of Contents1.Introduction 2.History of PA Infrared Spectroscopy 3.Instrumental Methods 4.Signal Recovery 5.Experimental Techniques 6.Numerical Methods 7.Applications Appendices

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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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