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Book
1 online resource : illustrations
  • Introduction of Mass Spectrometry and Ambient Ionization Techniques / Yiyang Dong, Jiahui Liu, Tianyang Guo
  • DART Mass Spectrometry: Principle and Ionization Facilities / David Rondeau
  • Sampling and Analyte Enrichment Strategies for DART-MS / Wen Ma, Xianjiang Li, Huwei Liu
  • Optimization of DART and Mass Spectrometric Parameters / Guohua Wu, Wushuang Li
  • Interfacing DART to Extend Analytical Capabilities / Yiding Zhang, Shuting Xu, Yu Bai
  • Application of DART-MS in Foods and Agro-Products Analysis / Canping Pan, Lei Wang
  • Application of DART-MS for Industrial Chemical Analysis / Qiang Ma
  • Application of Direct Analysis in Real Time Coupled to Mass Spectrometry (DART-MS) for the Analysis of Environmental Contaminants / Maxime C Bridoux, Sébastien Schramm
  • Application of DART-MS in Clinical and Pharmacological Analysis / Yue Li
  • DART-MS Applications in Pharmaceuticals / Karina G Putri, Qianwen Wu, Young P Jang
  • Application of DART-MS in Natural Phytochemical Research / Vikas Bajpai, Awantika Singh, Brijesh Kumar, Kunnath P Madhusudanan
  • Miscellaneous Applications of DART-MS / Yoshihito Okada
  • Inherent Limitations and Prospects of DART-MS / Tim T Häbe, Matthias Nitsch, Gertrud E Morlock.
DART-MS is a relatively new, but very fast evolving technology. Due to its versatility, it addresses fields of crucial importance to people and community, e.g. food or agricultural, forensic, industrial, environmental, medicinal and clinical analysis.
(source: Nielsen Book Data)9783527803736 20180618
Book
1 online resource.
Omics Technologies and Bio-Engineering: Towards Improving Quality of Life, Volume 1 is a unique reference that brings together multiple perspectives on omics research, providing in-depth analysis and insights from an international team of authors. The book delivers pivotal information that will inform and improve medical and biological research by helping readers gain more direct access to analytic data, an increased understanding on data evaluation, and a comprehensive picture on how to use omics data in molecular biology, biotechnology and human health care.
Book
1 online resource
  • Acknowledgements x Introduction 1 References 6 1 The Instrument: Ion Creation 7 1.1 Introduction 7 1.2 Sample handling 8 1.3 Vacuum ion sources 9 1.3.1 Electron ionisation 9 1.3.2 Chemical ionisation 11 1.3.3 Negative ion chemical ionization electron capture ionization 12 1.3.4 Matrix ]assisted laser desorption ionisation 12 1.4 Atmospheric pressure ion sources 13 1.4.1 Electrospray ionisation methods for liquid samples 14 1.4.2 Atmospheric pressure chemical ionisation 19 1.4.3 Atmospheric pressure photoionisation 21 1.5 Ambient ionisation methods 23 References 23 2 The Instrument: Ion Analysis and Detection 25 2.1 The analyser 25 2.1.1 Quadrupole analyser 26 2.1.2 Ion trap 28 2.1.3 Orbitrap 31 2.1.4 MALDI ]TOF analyser 32 2.2 Tandem mass spectrometry 33 2.2.1 QqQ triple quadrupole analysers 36 2.2.2 Q ]TOF tandem mass spectrometry 36 2.2.3 MS/MS with an LIT analyser 38 2.2.4 Quadrupole with Orbitrap 38 2.3 The detector 40 2.3.1 Electron multiplier detectors 40 2.3.2 Fourier transform detection 42 2.4 Control and data handling 43 2.5 Ambient ionisation 45 2.6 Summary 46 References 48 3 The Mass Spectrum 49 3.1 Spectral output 49 3.2 Electron ionisation/chemical ionization spectra 52 3.2.1 Radical cations from electron ionisation 52 3.2.2 Molecular weight nomenclature 53 3.3 Stable isotopes and accurate m/z determinations 54 3.3.1 Assignment of the molecular ion 54 3.3.2 Elemental composition 56 3.4 Chemical ionisation 57 3.4.1 Chemical ionisation with isobutane 57 3.4.2 Electron capture negative ion chemical ionization 58 3.5 Atmospheric ]pressure spray ionisation 59 3.5.1 Electrospray ionisation 59 3.6 Tandem mass spectra, MS/MS 61 3.6.1 Fragmentation in the source 61 3.6.2 MS/MS analysis with multiple analysers 62 3.7 Manipulating chromatographic data output 64 3.7.1 Averaging spectra over eluting chromatogram 65 3.7.2 Background signal removal 65 3.7.3 SRM/MRM data presentation 66 3.8 Fragmentation of even ] and odd ]electron ions 66 3.9 Spectra of peptides proteins and other biopolymers 66 3.10 Summary 70 References 70 4 Sample Handling Prior to Ionisation 72 4.1 Gas chromatography 73 4.2 Liquid chromatography: HPLC/UHPLC 75 4.2.1 Reversed ]phase HPLC 75 4.2.2 Normal ]phase HPLC 76 4.2.3 HILIC 76 4.2.4 Ion ]exchange HPLC 77 4.2.5 UHPLC 77 4.2.6 Effect of LC flow 77 4.3 Alternative sample purification methods 78 4.3.1 SPE cartridges 79 4.3.2 Supported liquid extraction cartridges 79 4.3.3 Protein crash cartridges 80 4.3.4 Less common chromatographic separation methods 80 4.4 Theory of chromatography relevant to clinical MS ion sources 82 4.4.1 Optimising separation and MS conditions 82 4.5 Avoiding chromatography: flow injection analysis 86 4.6 Summary 86 References 87 5 Establishing Optimum Specificity 88 5.1 Structure from the molecular ion or its derivative 88 5.1.1 Which is the molecular ion? 88 5.1.2 Examine the stable isotope ion patterns 89 5.1.3 What is the true molecular weight? 89 5.2 Structure from fragmentation 91 5.2.1 Simple rules for interpreting a spectrum 91 5.3 Spectra of peptides and proteins 92 5.3.1 ESI spectra of biopolymers 92 5.4 Example of the deduction of the identity of an unknown 94 5.4.1 ESI analysis of supposed fake material 94 5.4.2 MS/MS of proposed protonated molecular ion at 279 95 5.4.3 Examination of the stable isotope patterns to eliminate further possibilities 95 5.5 Potential problems with MS/MS for quantitative analysis 97 5.5.1 Crosstalk in MRM analyses 98 5.5.2 Mobile protons 98 5.6 Conclusions 101 References 102 6 Quantitative Analysis with Mass Spectrometry 103 6.1 Introduction 103 6.2 Calibration with internal standards 104 6.2.1 Analogue internal standards 104 6.2.2 Stable isotope internal standards 106 6.3 Creation of a calibration curve 107 6.4 Assay validation 110 6.4.1 Regulatory authorities 110 6.4.2 Errors 112 6.4.3 Parameters that need to be published for a valid assay 112 6.5 Matrix interference 114 6.6 Immediate calibrations 115 6.7 Selected or multiple ion recording 117 6.8 Summary 119 References 119 7 Examples of Quantitative Analysis: Combined Chromatography and Mass Spectrometry 121 7.1 Vitamin D metabolite analysis 122 7.2 Testosterone/epitestosterone 126 7.3 Oxygenated neural sterols 129 7.4 Cholic acids 131 7.5 Phospholipids 131 7.6 8 ]iso ]Prostaglandin F2 133 7.7 Metanephrine and normetanephrine 134 7.8 Isotopic internal calibration assay for clozapine and norclozapine 135 7.9 Glycolipids and carbohydrates 137 7.10 Matrix ]assisted laser desorption ionisation analysis of simple carbohydrates 139 7.11 LC MS/MS ceramides in Fabry disease 139 7.12 N ]Tetrasaccharides from protein glycosylation defects 140 7.13 Peptides 141 7.14 Hepcidin 141 7.15 Thyroglobulin 144 7.16 Quantitative proteomics 146 7.17 Summary 148 References 148 8 Rapid Clinical Analysis: Direct Sample Application to the Mass Spectrometer Source 153 8.1 Flow injection analysis 153 8.2 Dried blood spots and neonate inborn errors of metabolism analysis 154 8.3 Haemoglobin analyses 157 8.4 Application of ambient ionization methods 163 8.4.1 Ambient spray ionisation 163 8.4.2 Ionisation with energetic beams 166 8.4.3 MALDI ]TOF and identification of microorganisms 168 8.4.4 Rapid evaporative ionisation mass spectrometry 170 8.5 Conclusions 172 References 173 A: Simple Mass Spectrometry Fragmentation Mechanisms 176 B: Some Simple Derivatisation Methods 179 C: Acronyms and Glossary of Common Terms 180 D: Simple Statistics 200 E: Helpful Web Links 202 Bibliography 204 Index 206.
  • (source: Nielsen Book Data)9781119281207 20180618
A basic overview of mass spectrometry relevant to life and health science applications, illustrated throughout with relevant case studies This introductory text provides information and assistance to new users of mass spectrometry (MS) working in clinical or biochemical fields who are faced with implementing and designing quantitative mass spectrometric assays for a variety of classes of molecules of biological interest. It presents a detailed discussion on how to optimize measurement parameters for a candidate reference quantitative analysis, including calibration procedures, sensitivity, reproducibility, speed of assay and compliance with regulatory authorities. Quantitative Biological and Clinical Mass Spectrometry uses examples where development has not been immediately successful but where unforeseen problems have arisen and describes the strategies used to solve these. Advances in addressing the very large numbers of clinical samples that arise on routine screening programs such as those involved in inborn errors of metabolism studies are discussed. Direct mass spectrometric based analyses applicable to point of care testing (POCT) situations are also covered. The book concludes with a short section on possible novel developments, bibliography, references, and a glossary of terms. Shows how the presence of false results can be detected and understood Describes the parts of modern instruments from sample introduction through ionization, mass analysis and detection, and the variety of techniques of tandem mass spectrometry Discusses the requirement for specificity in an assay method Fully illustrated throughout Highly relevant to all key areas of mass spectrometric analysis Quantitative Biological and Clinical Mass Spectrometry appeals to those newly exposed to the use of combined chromatography and mass spectrometry for analysis of biological material and to scientists experienced in automated clinical analysis using immunoassays or who are new to mass spectrometry.
(source: Nielsen Book Data)9781119281207 20180618
Book
1 online resource
  • Front Cover; Applications in High Resolution Mass Spectrometry; Applications in HighResolution Mass Spectrometry: Food Safety and Pesticide Residue Analysis; Copyright; Contents; List of Contributors; Preface; 1
  • HRMS: Fundamentals and Basic Concepts; 1.1 INTRODUCTION (TO HIGH-RESOLUTION MASS SPECTROMETRY); 1.1.1 BASIC CONCEPTS (UNITS AND DEFINITIONS); 1.1.2 LOW-RESOLUTION MASS SPECTROMETRY VERSUS HIGH-RESOLUTION MASS SPECTROMETRY; 1.2 RESOLUTION AND MASS RESOLVING POWER; 1.3 ACCURATE MASS MEASUREMENT: EXACT MASS AND MASS DEFECT; 1.4 MASS CALIBRATION IN HIGH-RESOLUTION MASS SPECTROMETRY
  • 1.5 GENERAL CONSIDERATIONSAcknowledgments; REFERENCES; 2
  • HRMS: Hardware and Software; 2.1 INTRODUCTION; 2.2 PRINCIPLES OF HIGH-RESOLUTION MASS SPECTROMETRY ANALYZERS; 2.2.1 TIME-OF-FLIGHT; 2.2.2 FOURIER TRANSFORM ION CYCLOTRON RESONANCE; 2.2.3 ORBITRAP; 2.3 TIME-OF-FLIGHT MASS SPECTROMETRY: INSTRUMENT CONFIGURATION AND MAIN FEATURES; 2.3.1 STAND-ALONE ELECTROSPRAY IONIZATION TIME-OF-FLIGHT AND HYBRID QUADRUPOLE TIME-OF-FLIGHT INSTRUMENTATION; 2.3.2 IMPROVEMENTS OF CURRENT (QUADRUPOLE) TIME-OF-FLIGHT INSTRUMENTATION; 2.3.3 ION MOBILITY QUADRUPOLE TIME-OF-FLIGHT
  • 2.3.4 HYBRID ION TRAP TIME-OF-FLIGHT2.3.5 GAS CHROMATOGRAPHY-TIME-OF-FLIGHT AND GAS CHROMATOGRAPHY-QUADRUPOLE TIME-OF-FLIGHT; 2.4 ORBITRAP ANALYZERS: INSTRUMENT CONFIGURATIONS AND MAIN FEATURES; 2.5 ACQUISITION MODES IN HIGH-RESOLUTION MASS SPECTROMETRY; 2.5.1 DATA-DEPENDENT ACQUISITION; 2.5.2 DATA-INDEPENDENT ACQUISITION; 2.5.3 POSTACQUISITION APPROACHES; 2.6 DATABASES AND THE INTERNET RESOURCES FOR HIGH-RESOLUTION MASS SPECTROMETRY; Acknowledgments; REFERENCES; 3
  • Analytical Strategies Used in HRMS; 3.1 INTRODUCTION; 3.2 ADVANTAGES OF HIGH-RESOLUTION MASS SPECTROMETRY IN PESTICIDE ANALYSIS
  • 3.2.1 SELECTIVITY IN HIGH-RESOLUTION MASS SPECTROMETRY: ACCURATE MASS AND RESOLUTION IN QUALITATIVE ANALYSIS3.2.2 IMPROVING SELECTIVITY BY TANDEM MASS SPECTROMETRY INFORMATION; 3.2.3 QUANTITATIVE PERFORMANCE; 3.3 DATA ANALYSIS WORKFLOWS IN HIGH-RESOLUTION MASS SPECTROMETRY; 3.3.1 QUALITATIVE SCREENING METHOD VALIDATION; 3.3.2 NONTARGET ANALYSIS; 3.4 CONCLUSIONS; Acknowledgments; REFERENCES; FURTHER READING; 4
  • Current Legislation on Pesticides; 4.1 INTRODUCTION; 4.2 PESTICIDES; 4.2.1 IDENTITY AND PHYSICOCHEMICAL PROPERTIES; 4.2.2 PESTICIDES CLASSIFICATION
  • 4.2.3 PESTICIDE METABOLITES AND TRANSFORMATION PRODUCTS4.3 LEGISLATION; 4.3.1 PESTICIDES AUTHORIZATION; 4.3.2 MAXIMUM RESIDUE LIMITS; 4.3.3 MONITORING PROGRAMS; 4.4 ANALYTICAL QUALITY CONTROL-METHOD VALIDATION; 4.4.1 GUIDELINES FOR PESTICIDE RESIDUE ANALYSIS; 4.4.1.1 Method Validation for Pesticide Residues; 4.4.1.2 Quality Assurance; 4.4.1.3 Uncertainty; 4.5 MASS SPECTROMETRY IN PESTICIDE RESIDUE ANALYSIS; 4.5.1 MASS SPECTROMETRY IDENTIFICATION AND CONFIRMATION; 4.5.2 POTENTIAL OF HIGH-RESOLUTION MASS SPECTROMETRY IN PESTICIDE RESIDUE ANALYSIS; REFERENCES
  • 5
  • Advanced Sample Preparation Techniques for Pesticide Residues Determination by HRMS Analysis
Book
online resource (xiv, 298 pages) : illustrations (some color)
Medical Library (Lane)
Book
1 online resource (p. 14-30) : digital, PDF file.
One of few techniques that is able to spatially resolve chemical data, including organic molecules, to morphological features in modern and ancient geological samples, is time-of-flight secondary ion mass spectrometry (ToF-SIMS). The ability to connect chemical data to morphology is key for interpreting the biogenicity of preserved remains in ancient samples. However, due to the lack of reference data for geologically relevant samples and the ease with which samples can be contaminated, ToF-SIMS data may be difficult to interpret. In this project, we aimed to build a ToF-SIMS spectral database by performing parallel ToF-SIMS and gas chromatography–mass spectrometry (GC–MS) analyses of extant photosynthetic microbial communities collected from an alkaline silica-depositing hot spring in Yellowstone National Park, USA. We built the library by analyzing samples of increasing complexity: pure lipid standards commonly found in thermophilic phototrophs, solvent extracts of specific lipid fractions, total lipid extracts, pure cultures of dominant phototrophic community members, and unsilicified phototrophic streamer communities. The results showed that important lipids and pigments originating from phototrophs were detected by ToF-SIMS (e.g., wax esters, monogalactosyldiacylglycerol, digalactosyldiacylglycerol, sufloquinovosyldiaglycerol, alkanes, etc.) in the streamer lipid extracts. Many of the lipids were also detected in situ in the unsilicified streamer, and could even be spatially resolved to individual cells within the streamer community. Together with the ToF-SIMS database, this mapping ability will be used to further explore other microbial mats and their fossilized counterparts in the geological record. This is likely to expand the geochemical understanding of these types of samples.
Book
1 online resource (21 p.) : digital, PDF file.
Glycoside hydrolases (GHs) are enzymes that hydrolyze polysaccharides into simple sugars. To better understand the specificity of enzyme hydrolysis within the complex matrix of polysaccharides found in the plant cell wall, we studied the reactions of individual enzymes using glycome profiling, where a comprehensive collection of cell wall glycan-directed monoclonal antibodies are used to detect polysaccharide epitopes remaining in the walls after enzyme treatment and quantitative nanostructure initiator mass spectrometry (oxime-NIMS) to determine soluble sugar products of their reactions. Single, purified enzymes from the GH5_4, GH10, and GH11 families of glycoside hydrolases hydrolyzed hemicelluloses as evidenced by the loss of specific epitopes from the glycome profiles in enzyme-treated plant biomass. The glycome profiling data were further substantiated by oxime-NIMS, which identified hexose products from hydrolysis of cellulose, and pentose-only and mixed hexose-pentose products from the hydrolysis of hemicelluloses. The GH10 enzyme proved to be reactive with the broadest diversity of xylose-backbone polysaccharide epitopes, but was incapable of reacting with glucose-backbone polysaccharides. In contrast, the GH5 and GH11 enzymes studied here showed the ability to react with both glucose- and xylose-backbone polysaccharides. The identification of enzyme specificity for a wide diversity of polysaccharide structures provided by glycome profiling, and the correlated identification of soluble oligosaccharide hydrolysis products provided by oxime-NIMS, offers a unique combination to understand the hydrolytic capabilities and constraints of individual enzymes as they interact with plant biomass.
Book
1 online resource
  • 1. The Theory and Practice of UHPLC and UHPLC-MS 2. Advances in Hydrophilic Interaction Liquid Chromatography 3. Chiral Separations. Chiral Dynamic Chromatography in the Study of Stereolabile Compounds 4. Silver-ion Liquid Chromatography - Mass Spectrometry 5. Porous Monolithic Layers and Mass Spectrometry 6. New Materials for Stationary Phases in Liquid Chromatography/Mass Spectrometry 7. Introduction to Two-Dimensional Liquid Chromatography - Theory and Practice 8. Recent Advances in Comprehensive Two-Dimensional Liquid Chromatography for the Analysis of Natural Products 9. Nano-Liquid Chromatographic Separations 10. Multiple Parallel Mass Spectrometry for Liquid Chromatography 11. Comprehensive Gas Chromatography Methodologies for the Analysis of Lipids 12. Ultra-High Performance Supercritical Fluid Chromatography - Mass Spectrometry.
  • (source: Nielsen Book Data)9780128117323 20171127
Handbook of Advanced Chromatography /Mass Spectrometry Techniques is a compendium of new and advanced analytical techniques that have been developed in recent years for analysis of all types of molecules in a variety of complex matrices, from foods to fuel to pharmaceuticals and more. Focusing on areas that are becoming widely used or growing rapidly, this is a comprehensive volume that describes both theoretical and practical aspects of advanced methods for analysis. Written by authors who have published the foundational works in the field, the chapters have an emphasis on lipids, but reach a broader audience by including advanced analytical techniques applied to a variety of fields. Handbook of Advanced Chromatography / Mass Spectrometry Techniques is the ideal reference for those just entering the analytical fields covered, but also for those experienced analysts who want a combination of an overview of the techniques plus specific and pragmatic details not often covered in journal reports. The authors provide, in one source, a synthesis of knowledge that is scattered across a multitude of literature articles. The combination of pragmatic hints and tips with theoretical concepts and demonstrated applications provides both breadth and depth to produce a valuable and enduring reference manual. It is well suited for advanced analytical instrumentation students as well as for analysts seeking additional knowledge or a deeper understanding of familiar techniques.
(source: Nielsen Book Data)9780128117323 20171127
Book
1 online resource.
  • Front Cover; Handbook of Advanced Chromatography/Mass Spectrometry Techniques; Dedication; Handbook of Advanced Chromatography/Mass Spectrometry TechniquesEdited byMichal HolčapekUniversity of Pardubice, Pardubice, ...; Copyright; Contents; List of Contributors; Preface; 1
  • THEORY AND PRACTICE OF UHPLC AND UHPLC-MS; 1. INTRODUCTION; 2. BRIEF DESCRIPTION OF ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY AND HISTORICAL BACKGROUND; 2.1 INTEREST IN SMALL PARTICLES IN LIQUID CHROMATOGRAPHY; 2.2 INTEREST IN VERY HIGH PRESSURES IN LIQUID CHROMATOGRAPHY
  • 2.3 PRELIMINARY WORKS OF J.W. JORGENSON AND M.L. LEE IN ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY3. KINETIC COMPARISON OF ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY WITH OTHER EXISTING TECHNOLOGIES FOR FAST AND HIGH-RESOLUTIO ...; 3.1 BRIEF PRESENTATION OF THE ALTERNATIVE APPROACHES TO ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY; 3.2 BEST LIQUID CHROMATOGRAPHY APPROACH IN ISOCRATIC MODE-THEORY AND APPLICATIONS; 3.3 BEST LIQUID CHROMATOGRAPHY APPROACH IN GRADIENT MODE-THEORY AND APPLICATIONS; 4. PROBLEMS RELATED TO ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY
  • 4.1 THE NEED TO WORK WITH A DEDICATED INSTRUMENTATION4.2 THE NEED FOR SPECIFIC COLUMNS COMPATIBLE WITH ULTRAHIGH PRESSURES; 4.3 THE CHANGES IN SOLVENT PROPERTIES WITH PRESSURE; 5. METHOD TRANSFER FROM HIGH-PRESSURE LIQUID CHROMATOGRAPHY TO ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY; 5.1 THE RULES FOR ISOCRATIC MODE-THEORY AND APPLICATIONS; 5.2 THE RULES FOR GRADIENT MODE-THEORY AND APPLICATIONS; 6. FIELDS OF APPLICATION FOR ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY AND RELATED ISSUES
  • 6.1 ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY/MASS SPECTROMETRY FOR HIGH THROUGHPUT IN BIOANALYSIS6.2 HIGH RESOLUTION DRUG METABOLISM BY ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY USING QUADRUPOLE TIME-OF-FLIG ...; 6.3 ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY FOR MULTIRESIDUE SCREENING; 6.4 ULTRAHIGH-PRESSURE LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY IN METABOLOMICS; 7. CONCLUSION/PERSPECTIVES; REFERENCES; FURTHER READING; 2
  • ADVANCES IN HYDROPHILIC INTERACTION LIQUID CHROMATOGRAPHY; 1. INTRODUCTION
  • 2. COLUMNS FOR HYDROPHILIC INTERACTION LIQUID CHROMATOGRAPHY SEPARATIONS2.1 SILICA GEL AND HYBRID INORGANIC SORBENTS; 2.2 CHEMICALLY BONDED SILICA-BASED STATIONARY PHASES; 2.2.1 Amino, Amide Amino Acid, and Peptide Bonded Stationary Phases; 2.2.2 Diol, Polyethylene Glycol, Thioglycerol, Cyclodextrin, and Sugar Bonded Phases; 2.2.3 Polysuccinimide Bonded Stationary Phases; 2.2.4 Other Polymer Coated and Bonded Silica Stationary Phases; 2.2.5 Zwitterionic and Mixed-Mode Silica Stationary Phases; 2.3 AQUEOUS NORMAL-PHASE CHROMATOGRAPHY ON HYDROSILATED SILICA PHASES
Handbook of Advanced Chromatography /Mass Spectrometry Techniques is a compendium of new and advanced analytical techniques that have been developed in recent years for analysis of all types of molecules in a variety of complex matrices, from foods to fuel to pharmaceuticals and more. Focusing on areas that are becoming widely used or growing rapidly, this is a comprehensive volume that describes both theoretical and practical aspects of advanced methods for analysis. Written by authors who have published the foundational works in the field, the chapters have an emphasis on lipids, but reach a broader audience by including advanced analytical techniques applied to a variety of fields. Handbook of Advanced Chromatography / Mass Spectrometry Techniques is the ideal reference for those just entering the analytical fields covered, but also for those experienced analysts who want a combination of an overview of the techniques plus specific and pragmatic details not often covered in journal reports. The authors provide, in one source, a synthesis of knowledge that is scattered across a multitude of literature articles. The combination of pragmatic hints and tips with theoretical concepts and demonstrated applications provides both breadth and depth to produce a valuable and enduring reference manual. It is well suited for advanced analytical instrumentation students as well as for analysts seeking additional knowledge or a deeper understanding of familiar techniques.
Book
1 online resource (12 p.) : digital, PDF file.
From 21 August to 27 September, 2016, during the second Intensive Operational Period (IOP) of the Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecoystems (HI-SCALE) field campaign, a suite of instruments were placed in the Guest Instrument Facility (GIF) at the Central Facility of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility’s Southern Great Plains (SGP) site in Lamont, Oklahoma. The goal of these measurements was to fully characterize the formation and evolution of atmospheric aerosol particles through measurements of gas-phase precursor and ambient nanoparticle composition. Specifically, we sought to: 1. investigate the role of acid-base chemistry in new-particle growth through measurements of ammonia and amines as well as organic and inorganic acids in both atmospheric nanoparticles and the gas phase; 2. investigate the contribution of other surface-area or volume-controlled processes to nanoparticle formation and growth, such as the uptake of extremely low volatility organic compounds (ELVOCs); 3. evaluate the performance of a new instrument being developed with funding from the DOE Small Business Innovation Research (SBIR) program for measuring gas-phase amines and related compounds; and 4. together with colleagues measuring on the ground and onboard the ARM Gulfstream-1 (G-1) aircraft during HI-SCALE, create a comprehensive data set related to new particle formation and growth that can be used in modeling efforts by the research team as well as DOE collaborators.
Book
1 online resource.
  • Overview, Pitfalls, Hardware-Requirements. State of the Art in the LC/MS / O Schmitz
  • Technical Aspects and Pitfalls of LC/MS Hyphenation / MM Martin
  • Aspects of the Development of Methods in LC/MS Coupling / T Teutenberg, T Hetzel, C Portner, S Wiese, C Eyser, J Tuerk
  • Tips, Examples, Trends. LC/MS for Everybody/for Everything? - LC/MS Tips / F Mandel
  • User Reports. LC Coupled to MS - a User Report / A Muller, A Hofmann
  • Problem Solving with HPLC/MS - a Practical View from Practitioners / E Fleischer
  • LC/MS from the Perspective of a Maintenance Engineer / O Müller
  • Vendor's Reports. LC/MS - the Past, Present, and Future / TL Sheehan, F Mandel
  • Vendor's Report - SCIEX / D Schleuder
  • Manufacturer Report - Thermo Fisher Scientific / MM Martin.
Filling the gap for an expert text dealing exclusively with the practical aspects of HPLC-MS coupling, this concise, compact, and clear book provides detailed information to enable users to employ the method most efficiently. Following an overview of the current state of HPLC-MS and its instrumentation, the text goes on to discuss all relevant aspects of method development. A chapter on tips and tricks is followed by user reports on the advantages - and pitfalls - of applying the method in real-life scenarios. The whole is rounded off by a look at future developments by renowned manufacturers.
Book
x, 204 pages : illustrations (mostly color) ; 26 cm.
  • "A future amalgamation between the scientist and the clinician?" / Sarah Haywood-Small
  • Fresh frozen versus formalin-fixed paraffin embedded for mass spectrometry imaging / Ekta Patel
  • Imaging MS of rodent ocular tissues and the optic nerve / David M.G. Anderson, Wendi Lambert, David J. Calkins, Zsolt Ablonczy, Rosalie K. Crouch, Richard M. Caprioli, and Kevin L. Schey
  • MALDI-MSI of lipids in human skin / Philippa J. Hart and Malcolm R. Clench
  • MALDI-MSI analysis of cytological smears : the study of thyroid cancer / Niccolò Mosele, Andrew Smith, Manuel Galli, Fabio Pagni, and Fulvio Magni
  • Droplet-based liquid extraction for spatially-resolved microproteomics analysis of tissue sections / Maxence Wisztorski, Jusal Quanico, Julien Franck, Benoit Fatou, Michel Salzet, and Isabelle Fournier
  • DESI mass spectrometry imaging (MSI) / Emmanuelle Claude, Emrys A. Jones, and Steven D. Pringle
  • Peptide imaging : maximizing peptide yield, optimization of the "peptide mass fingerprint" / Ekta Patel
  • MALDI-MS imaging in the study of glomerulonephritis / Andrew Smith, Manuel Galli, Vincenzo L'Imperio, Fabio Pagni, and Fulvio Magni
  • Hierarchical cluster analysis to aid diagnostic image data visualization of MS and other medical imaging modalities / Arul N. Selvan, Laura M. Cole, Lynne Spackman, Sarah Naylor, and Chris Wright
  • Laser ablation inductively coupled plasma mass spectrometry imaging of plant metabolites / Callie Seaman
  • Mass spectrometry imaging of drugs of abuse in hair / Bryn Flinders, Eva Cuypers, Tiffany Porta, Emmanuel Varesio, Gérard Hopfgartner, and Ron M.A. Heeren
  • MALDI mass spectrometry profiling and imaging applied to the analysis of latent fingermarks / Robert Bradshaw
  • ToF-SIMS parallel imaging MS/MS of lipid species in thin tissue sections / Anne Lisa Bruinen, Gregory L. Fisher, and Ron M.A. Heeren
  • Rodent whole-body sectioning and MALDI mass spectrometry imaging / Paul J. Trim
  • Future in disease models for mass spectrometry imaging, ethical issues, and the way forward / Rebecca E. Day and Ieva Palubeckaite.
This volume addresses the various techniques and novel applications of mass spectrometry imaging (MSI) and its role as a discovery tool in the field of proteomics, lipidomics, and metabolomics. The chapters in this book demonstrate how MSI can be applied to many areas of research such as clinical pathology, translational medicine, toxicology, biomarkers and response studies, and potential incorporation of MSI into forensic workflows. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Innovative and comprehensive, Imaging Mass Spectrometry: Methods and Protocols is a valuable resource for research scientists and clinicians who are interested in further studies of MSI technologies.
(source: Nielsen Book Data)9781493970506 20170821
Science Library (Li and Ma)
Book
1 online resource (p. 1-14 ): digital, PDF file.
Clostridium thermocellum is capable of solubilizing and converting lignocellulosic biomass into ethanol. Though much of the work-to-date has centered on characterizing the organism s metabolism during growth on model cellulosic substrates, such as cellobiose, Avicel, or filter paper, it is vitally important to understand it metabolizes more complex, lignocellulosic substrates to identify relevant industrial bottlenecks that could undermine efficient biofuel production. To this end, we have examined a time course progression of C. thermocellum grown on switchgrass to assess the metabolic and protein changes that occur during the conversion of plant biomass to ethanol. The most striking feature of the metabolome was the observed accumulation of long-chain, branched fatty acids over time, implying an adaptive restructuring of C. thermocellum s cellular membrane as the culture progresses. This is likely a response to the gradual build-up of lignocellulose-derived inhibitory compounds detected as the organism deconstructs the switchgrass to access the embedded cellulose and includes 4-hydroxybenzoic acid, vanillic acid, ferulic acid, p-coumaric acid and vanillin. Corroborating the metabolomics data, proteomic analysis revealed a corresponding time-dependent increase in enzymes involved in the interconversion of branched amino acids valine, leucine and isoleucine to iso- and anteiso-fatty acid precursors. Furthermore, the metabolic accumulation of hemicellulose-derived sugars and sugar-alcohols concomitant with increased abundance of enzymes involved in C5 sugar metabolism / the pentose phosphate pathway, indicate that C. thermocellum either shifts glycolytic intermediates to alternate pathways to modulate overall carbon flux or is simply a response to C5 sugar metabolite pools that build during lignocellulose deconstruction.
Book
xiv, 393 pages : illustrations ; 29 cm.
  • Preface 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 -Blockers or -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 -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- 4-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 -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.
  • (source: Nielsen Book Data)9781118500187 20170313
Provides comprehensive coverage of the interpretation of LC MS MS 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 MS MS 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.
(source: Nielsen Book Data)9781118500187 20170313
Science Library (Li and Ma)

15. Lipidomics [2017]

Book
1 online resource (xii, 248 pages) : illustrations (some color).
  • Introduction and overview of lipidomic strategies / William J. Griffiths and Yuqin Wang
  • Nontargeted lipidomics utilizing constant infusion high-resolution ESI-mass spectrometry / Paul Wood
  • Ultrahigh-resolution lipid analysis with fourier transform ion cyclotron Resonance Mass Spectrometry / Mark R. Emmett and Cheryl F. Lichti
  • MALDI-imaging mass spectrometry of brain lipids / Norelle C. Wildburger
  • Ion-mobility mass spectrometry for lipidomics applications / Giuseppe Paglia, Bindesh Shrestha, and Giuseppe Astarita
  • In vitro assay to extract specific lipid types from phospholipid membranes using lipid-transfer proteins : a lesson from the ceramide transport protein CERT / Kentaro Hanada and Toshihiko Sugiki
  • Quantification of endogenous endocannabinoids by LC-MS/MS / Mesut Bilgin and Andrej Shevchenko
  • Lipid profiling by supercritical fluid chromatography/mass spectrometry / Takayuki Yamada and Takeshi Bamba
  • Mass spectrometric analysis of lipid hydroperoxides / Tânia Melo, Elisabete Maciel, Ana Reis, Pedro Domingues, and M. Rosário M. Domingues
  • Mass spectrometric determination of fatty aldehydes exemplified by monitoring the oxidative degradation of (2E)-hexadecenal in HepG2 cell lysates / Corinna Neuber, Fabian Schumacher, Erich Gulbins, and Burkhard Kleuser
  • CE analysis of phospholipid headgroups / Václav Matěj Bierhanzl, Martina Riesová, Gabriela Seydlová, and Radomír Čabala
  • HPTLC-MALDI TOF MS imaging analysis of phospholipids / Tatiana Kondakova, Nadine Merlet Machour, and Cécile Duclairoir Poc
  • Global UHPLC/HRMS lipidomics workflow for the analysis of lymphocyte suspension cultures / Candice Z. Ulmer, Richard A. Yost, and Timothy J. Garrett
  • Ambient lipidomic analysis of brain tissue using desorption electrospray ionization (DESI) mass spectrometry / Valentina Pirro, Alan K. Jarmusch, Christina R. Ferreira, and R. Graham Cooks
  • Lipidomics analyses of oxygenated metabolites of polyunsaturated fatty acids / Alexandra C. Kendall and Anna Nicolaou
  • Derivatization of fatty aldehydes and ketones : Girard's reagent T (GRT) / Paul Wood
  • Derivatization of lipid amines : fluorenylmethyloxycarbonyl (FMOC) / Paul Wood
  • High-resolution mass spectrometry of glycerophospholipid oxidation products / Paul Wood.
This volume details methods for the analyses of specific lipid classes and lipidomics analyses of cells such as lymphocytes and oocytes. Lipidomics guides readers through chapters on direct-flow and chromatographic methods (SFC, UHPLC, HPTLC, ion-mobility); derivatization methods for lipids (amines, fatty aldehydes and ketones); TOF-SIMS imaging of lipids; and characterization of lipid transfer proteins. Additional chapters also provide an authoritative overview of lipidomics strategies and a detailed review of high-resolution mass spectrometric methods are included in this volume. In Neuromethods series style, chapters include the kind of detail and key advice from the specialists needed to get successful results in your own laboratory. Concise and easy-to-use, Lipidomics aims to ensure successful results in the further study of this vital field.
(source: Nielsen Book Data)9781493969449 20171009
Book
1 online resource
  • A Paradigm Shift from Research to Front-Line Microbial Diagnostics in MALDI-TOF and LC-MS/MS / Haroun N. Shah and Saheer E. Gharbia
  • Criteria for Development of MALDI-TOF Mass Spectral Database / Markus Kostrzewa and Thomas Maier
  • Applications of MALDI-TOF Mass Spectrometry in Clinical Diagnostic Microbiology / Onya Opota, Guy Prod'hom and Gilbert Greub
  • The Challenges of Identifying Mycobacterium to the Species Level using MALDI-TOF MS / Graham Rose, Renata Culak, Timothy Chambers, Saheer E. Gharbia, Haroun N. Shah, Yangsun Kim and Jae-Seok Kim
  • Transformation of Anaerobic Microbiology since the Arrival of MALDI-TOF Mass Spectrometry / Elisabeth Nagy, Mariann Ábrók, Edith Urbán, A.C.M. Veloo, Arie Jan Winkelhoff, Itaru Dekio, Saheer E. Gharbia and Haroun N. Shah
  • Differentiation of Closely Related Organisms using MALDI-TOF MS / Mark A. Fisher
  • Identification of Species in Mixed Microbial Populations using MALDI-TOF MS / Pierre Mahé, Maud Arsac, Nadine Perrot, Marie-Hélène Charles, Patrick Broyer, Jay Hyman, John Walsh, Sonia Chatellier, Victoria Girard, Alex Belkum and Jean-Baptiste Veyrieras
  • Microbial DNA Analysis by MALDI-TOF Mass Spectrometry / Christiane Honisch, Vlad Serafim, Nicola Hennessy, David J. Allen, Christopher Ring, Leonardo P. Munoz, Saheer E. Gharbia, Ajit J. Shah and Haroun N. Shah
  • Impact of MALDI-TOF MS in Clinical Mycology : Progress and Barriers in Diagnostics / Cledir R. Santos, Elaine Francisco, Mariana Mazza, Ana Carolina B. Padovan, Arnaldo Colombo and Nelson Lima
  • Development and Application of MALDI-TOF for Detection of Resistance Mechanisms / Stefan Zimmermann and Irene Burckhardt
  • Discrimination of Burkholderia Species, Brucella Biovars, Francisella tularensis and Other Taxa at the Subspecies Level by MALDI-TOF Mass Spectrometry / Axel Karger
  • MALDI-TOF-MS Based on Ribosomal Protein Coding in S10-spc-alpha Operons for Proteotyping / Hiroto Tamura
  • Tandem Mass Spectrometry Analysis as an Approach to Delineate Genetically Related Taxa / Raju V. Misra, Tom Gaulton, Nadia Ahmod, Min Fang, Martin Hornshaw, Jenny Ho, Saheer E. Gharbia and Haroun N. Shah
  • Mapping of the Proteogenome of Clostridium difficile Isolates of Varying Virulence / Caroline H. Chilton, Saheer E. Gharbia, Raju V. Misra, Min Fang, Ian R. Poxton, Peter S. Borriello and Haroun N. Shah
  • Determination of Antimicrobial Resistance using Tandem Mass Spectrometry / Ajit J. Shah, Vlad Serafim, Zhen Xu, Hermine V. Mkrtchyan and Haroun N. Shah
  • Proteotyping / Roger Karlsson, Lucia Gonzales-Siles, Fredrik Boulund, Åsa Lindgren, Liselott Svensson-Stadler, Anders Karlsson, Erik Kristiansson and Edward R.B. Moore
  • Proteogenomics of Pseudomonas aeruginosa in Cystic Fibrosis Infections / Liang Yang and Song Lin Chua
  • Top-Down Proteomics in the Study of Microbial Pathogenicity / Joseph Gault, Egor Vorontsov, Mathieu Dupré, Valeria Calvaresi, Magalie Duchateau, Diogo B. Lima, Christian Malosse and Julia Chamot-Rooke
  • Tandem Mass Spectrometry in Resolving Complex Gut Microbiota Functions / Carolin Kolmeder, Kaarina Lähteenmäki, Pirjo Wacklin, Annika Kotovuori, Ilja Ritamo, Jaana Mättö, Willem M. Vos and Leena Valmu
  • Proteogenomics of Non-model Microorganisms / Jean Armengaud
  • Analysis of MALDI-TOF MS Spectra using the BioNumerics Software / Katleen Vranckx, Katrien De Bruyne and Bruno Pot
  • Subtyping of Staphylococcus spp. Based upon MALDI-TOF MS Data Analysis / Zhen Xu, Ali Olkun, Katleen Vranckx, Hermine V. Mkrtchyan, Ajit J. Shah, Bruno Pot, Ronald R. Cutler and Haroun N. Shah
  • Elucidating the Intra-Species Proteotypes of Pseudomonas aeruginosa from Cystic Fibrosis / Ali Olkun, Ajit J. Shah and Haroun N. Shah.
This book highlights the triumph of MALDI-TOF mass spectrometry over the past decade and provides insight into new and expanding technologies through a comprehensive range of short chapters that enable the reader to gauge their current status and how they may progress over the next decade. This book serves as a platform to consolidate current strengths of the technology and highlight new frontiers in tandem MS/MS that are likely to eventually supersede MALDI-TOF MS. Chapters discuss: Challenges of Identifying Mycobacterium to the Species level Identification of Bacteroides and Other Clinically Relevant Anaerobes Identification of Species in Mixed Microbial Populations Detection of Resistance Mechanisms Proteomics as a biomarker discovery and validation platform Determination of Antimicrobial Resistance using Tandem Mass Spectrometry.
(source: Nielsen Book Data)9781118960257 20170424
Book
1 online resource.
  • List of Contributors xvii Introduction xxi List of Abbreviations xxiii 1 Mass Spectrometry Techniques for In Vivo Stable Isotope Approaches 1 Jean-Philippe Godin and Henk Schierbeek 1.1 Introduction 1 1.2 Nomenclature for Light-Stable Isotope Changes 3 1.3 Mass Spectrometry Techniques 6 1.4 Choice of Mass Spectrometric Techniques and Applications to Measure Isotopic Enrichments in Metabolic Studies 26 1.5 Conclusion and Future Perspectives 30 References 32 2 Stable Isotope Technology 45 Dewi van Harskamp, Johannes B. van Goudoever, and Henk Schierbeek 2.1 History 45 2.2 Definition 45 2.3 Safety 46 2.4 Stable Isotopes and Natural Abundances 47 2.5 Stable Isotope Selection 48 2.6 Single or Multiple Label Selection 49 2.7 Precursor Model 49 2.8 Simultaneous Infusion 49 2.9 Infusion Techniques 50 2.10 Steady State 52 2.11 Pool Selection 52 2.12 Pool Models 53 2.13 Flux: Synthesis and Breakdown 55 2.14 Nitrogen Balance 57 2.15 Doubly LabeledWater Method 57 2.16 Whole-body Protein Synthesis 58 2.17 Specific Protein Synthesis 58 2.18 Calculations 59 2.19 Considerations and Drawbacks of Isotopic Tracers 62 2.20 Conclusion 63 References 63 3 Stable Isotopes in Nutritional and Pediatric Research 67 Willemijn E. Corpeleijn and Johannes B. van Goudoever 3.1 Introduction 67 3.2 Ethical Aspects 69 3.3 Applications of Stable Isotopes in Nutritional and Pediatric Research 70 3.4 Conclusion 78 References 78 4 Early-Life Nutrition and Stable Isotope Techniques 81 Stefanie M.P. Kouwenhoven and Marita deWaard 4.1 Introduction 81 4.2 Breast Milk versus Infant Formula 81 4.3 Techniques to Monitor Milk Intake 82 4.4 Body Composition in Term and Preterm Infants 86 4.5 Amino Acid Requirement 86 4.6 Clinical Applications 87 4.7 Additional Applications 95 4.8 Discussion 98 4.9 Conclusion 99 4.10 Future Perspectives 99 References 100 5 Assessment of Amino Acid Requirement in Children Using Stable Isotopes 108 Femke Maingay-de Groof and Henk Schierbeek 5.1 Introduction 108 5.2 Nutrient Needs and Definitions 109 5.3 Methods to Determine Requirements 111 5.4 Isotopic Tracer Methods 112 5.5 Existing Methods to Determine Amino Acid Requirement for Neonates 114 5.6 Use of the IAAO Method in the Pediatric Population 115 5.7 Necessity for Performing the Study 117 5.8 Biochemistry 117 5.9 Available AnalyticalMethods 120 5.10 Clinical Application 120 5.11 Analysis and Calculations 125 5.12 Results 125 5.13 Statistical Analysis 128 5.14 Discussion 129 5.15 Conclusion 131 5.16 Future Perspectives 132 References 132 6 Metabolism of Glutamine, Citrulline, and Arginine-- Stable Isotopes Analyzing the Intestinal Renal Axis 139 Nikki Buijs, Saskia J.H. Brinkmann, Gerdien C. Ligthart-Melis, and Henk Schierbeek 6.1 Introduction 139 6.2 Biochemistry 142 6.3 Isotopic Model 146 6.4 Study Design 148 6.5 Mass Spectrometry Methods 151 6.6 Clinical Applications 155 6.7 Calculations 158 6.8 Discussion and Future Perspectives 161 References 167 7 Applications in Fat Absorption andMetabolism 175 Dirk-Jan Reijngoud and Henkjan J. Verkade 7.1 Introduction 175 7.2 Biochemistry of Fat Absorption 176 7.3 Isotope Model 178 7.4 Study Design/Infusion Protocols 179 7.5 Analytical Equipment 181 7.6 Analytical Conditions 181 7.7 Accuracy and Precision 183 7.8 Calculations 184 7.9 Clinical Applications 187 7.10 Future Perspectives 191 References 193 8 Materno-Fetal Lipid Kinetics 197 Elvira Larque, Hans Demmelmair, and Berthold Koletzko 8.1 Introduction 197 8.2 Biochemistry of Placental Lipid Transport 198 8.3 Investigation of Fatty Acid Metabolism Using Stable Isotopes 200 8.4 Mass Spectrometry Methods 202 8.5 Clinical Studies with Fatty Acids Labeled with Stable Isotopes in Healthy and Complicated Pregnancies 203 8.6 Calculations 207 8.7 Future Perspectives 209 Acknowledgments 210 References 210 9 Stable Isotope Applications in Human In Vivo Placental and Fetal Research 213 Chris H.P. van den Akker 9.1 Introduction 213 9.2 Investigation of FetalMetabolism Using Stable Isotopes 214 9.3 Study Designs and Models 215 9.4 Infusion Protocols and Clinical Applications 216 9.5 Necessary Additional Clinical Parameters to be Analyzed 218 9.6 Necessary Analytical Mass-Spectrometry Equipment and Analytical Conditions 218 9.7 Calculations 219 9.8 Future Perspectives 222 References 222 10 Obesity 225 Margriet Veldhorst and Henk Schierbeek 10.1 Introduction 225 10.2 Singly and Doubly LabeledWater 226 10.3 Substrate Oxidation 237 10.4 Glucose Metabolism 238 10.5 Fat Metabolism 239 10.6 Protein Turnover 242 10.7 Calculations 246 10.8 Discussion and Future Perspectives 249 References 250 11 Inborn Errors of Metabolism 258 Hidde H. Huidekoper, Frits A.Wijburg, and Ronald J.A.Wanders 11.1 Introduction 258 11.2 Stable Isotope Techniques 260 11.3 Analytical Equipment and Methods 267 11.4 Study Protocol: Quantifying Endogenous Galactose Production 269 11.5 Calculations 271 11.6 Discussion 276 11.7 Future Perspectives 277 References 278 12 Renal Disease and Dialysis 284 Gregorio P.Milani, Sander F. Garrelfs, and Michiel J.S. Oosterveld 12.1 Introduction 284 12.2 Total BodyWater and Its Distribution 286 12.3 Protein Metabolism in Chronic Kidney Disease 291 12.4 Dialysis Metabolic Consequences and Nutrient Losses 293 12.5 Primary Hyperoxalurias 295 12.6 Clinical Applications 298 12.7 Calculations 303 12.8 Discussion 308 12.9 Future Perspectives 310 References 310 13 Application in Oxidative Stress and Glutathione Metabolism in Preterm Infants 320 Denise Rook and Henk Schierbeek 13.1 Introduction 320 13.2 Biochemistry/Model 321 13.3 Guidelines and Safety Procedures 323 13.4 Mass Spectrometry Methods 323 13.5 Materials and Methods 324 13.6 Clinical Application (A Practical Example of a Study Protocol) 327 13.7 Calculations 329 13.8 Discussion and Future Perspectives 330 References 331 14 Nutrient Digestion and Absorption During Intestinal Malfunction and Diseases 336 Margot Fijlstra 14.1 Introduction 336 14.2 Clinical Application 340 References 357 Index 365.
  • (source: Nielsen Book Data)9781118858776 20170403
A guide for scientists, pediatricians and students involved in metabolic studies in pediatric research * Addresses the availability of modern analytical techniques and how to apply these techniques in metabolic studies * Covers the whole range of available mass spectrometric techniques used for metabolic studies including Stable Isotope Methodology * Presents the relevance of mass spectrometry and stable isotope methodology in pediatric research covering applications in Nutrition, Obesity, Metabolic Disorders, and Kidney Disorders * Focuses on the interactions between nutrients and the endogenous metabolism within the body and how these factors affect the health of a growing infant.
(source: Nielsen Book Data)9781118858776 20170403
Book
1 online resource.
  • 1. Mass spectrometry in clinical lab: determining the need and avoiding pitfalls 2. Application specific implementation of mass spectrometry platform 3. Sample preparation techniques for mass spectrometry in clinical lab: 4. Design of Validation and QC and Compliance 5. Best Practices for routine operation of clinical mass spectrometry assays 6. Toxicology: LCMS 7. Toxicology: GCMS 8. Therapeutic drug monitoring 9. Vitamin D and analogs 10. Steroid hormones 11. Thyroid hormones 12. Bacterial identification: MALDI TOF 13. High Resolution Accurate Mass (HRAM) Mass Spectrometry 14. Evolving platforms for clinical mass spectrometry (POCT, paper spray, TOF, etc).
  • (source: Nielsen Book Data)9780128008713 20180611
Mass Spectrometry for the Clinical Laboratory is an accessible guide to mass spectrometry and the development, validation, and implementation of the most common assays seen in clinical labs. It provides readers with practical examples for assay development, and experimental design for validation to meet CLIA requirements, appropriate interference testing, measuring, validation of ion suppression/matrix effects, and quality control. These tools offer guidance on what type of instrumentation is optimal for each assay, what options are available, and the pros and cons of each. Readers will find a full set of tools that are either directly related to the assay they want to adopt or for an analogous assay they could use as an example. Written by expert users of the most common assays found in a clinical laboratory (clinical chemists, toxicologists, and clinical pathologists practicing mass spectrometry), the book lays out how experts in the field have chosen their mass spectrometers, purchased, installed, validated, and brought them on line for routine testing. The early chapters of the book covers what the practitioners have learned from years of experience, the challenges they have faced, and their recommendations on how to build and validate assays to avoid problems. These chapters also include recommendations for maintaining continuity of quality in testing. The later parts of the book focuses on specific types of assays (therapeutic drugs, Vitamin D, hormones, etc.). Each chapter in this section has been written by an expert practitioner of an assay that is currently running in his or her clinical lab.
(source: Nielsen Book Data)9780128008713 20180611
Book
1 online resource (298 p.).
  • Introduction-- Introduction to Mass Spectrometry Instrumentation and Methods Used in Chemical Biology-- Metabolomics-- Proteomics-- Mass Spectrometry for Discovering Natural Products-- Applications of Mass Spectrometry in Synthetic Biology-- Studying Enzyme Mechanisms Using Mass Spectrometry, Part 1: Introduction-- Studying Enzyme Mechanisms Using Mass Spectrometry, Part 2: Applications-- Chemical Biology Databases-- Perspectives for the Future.
  • (source: Nielsen Book Data)9781788010399 20180213
Introduction; Introduction to mass spectrometry instrumentation and methods used in chemical biology; Metabolomics; Proteomics; Mass spectrometry to discover natural products; Applications of mass spectrometry in synthetic biology; Studying enzyme mechanisms using mass spectrometry: Introduction; Studying enzyme mechanisms using mass spectrometry: Applications; Databases; Future perspectives; .
(source: Nielsen Book Data)9781788010399 20180213
Video
1 online resource (1 streaming video file (31 min.) : color, sound).
  • Contents: MassBank: an open access mass spectral library
  • Sharing spectra worldwide
  • Downloadable RMassBank
  • Autocuration of MS/MS spectra
  • Recalibration, noise reduction, annotation
  • Upload of thousands of spectra
  • Enhanced interpretation and identification
  • SPLASH: communicate between all mass spectral resources.

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