05530nam 2200673 a 450 991014164720332120200520144314.03-527-65586-71-299-31354-X3-527-65589-13-527-65588-3(CKB)2670000000337917(EBL)1129589(OCoLC)829460567(SSID)ssj0000904835(PQKBManifestationID)11539862(PQKBTitleCode)TC0000904835(PQKBWorkID)10924820(PQKB)10887828(OCoLC)829279492(MiAaPQ)EBC1129589(Au-PeEL)EBL1129589(CaPaEBR)ebr10674804(CaONFJC)MIL462604(PPN)196507618(EXLCZ)99267000000033791720150303d2013 uy 0engur|n|---|||||txtccrMetabolomics in practice[electronic resource] successful strategies to generate and analyze metabolic data /edited by Michael La<U+00cc>˜mmerhofer and Wolfram WeckwerthWeinheim an der Bergstrasse, Germany Wiley-VCH Verlag GmbHc20131 online resource (443 p.)Description based upon print version of record.3-527-33089-5 Includes bibliographical references and index.Metabolomics in Practice; Contents; List of Contributors; Preface; 1 The Sampling and Sample Preparation Problem in Microbial Metabolomics; 1.1 Introduction; 1.2 Microorganisms and Their Properties; 1.3 Sampling Methods; 1.3.1 The Need for Rapid Sampling; 1.3.2 Sampling Systems; 1.4 Quenching; 1.4.1 Quenching Procedures and Their Properties; 1.4.2 Validation of the Quenching Procedure and Minimization of Metabolite Leakage; 1.4.3 Quenching Procedure for Determination of Intracellular Metabolites in the Presence of Extracellular Abundance; 1.4.4 Quenching of Bacteria; 1.5 Metabolite Extraction1.5.1 Extraction Methods and Their Properties1.5.2 Validation of Extraction Methods for Yeast Metabolomics; 1.6 Application of 13C-Labeled Internal Standards; 1.7 Conclusions; References; 2 Tandem Mass Spectrometry Hyphenated with HPLC and UHPLC for Targeted Metabolomics; 2.1 Introduction; 2.2 LC-MS-Based Targeted Metabolomics; 2.3 Liquid Chromatography; 2.4 Mass Spectrometry; 2.4.1 Ionization Techniques; 2.4.2 Mass Analyzers; 2.5 Sample Preparation; 2.6 Relative and Absolute Quantification; 2.7 Applications; 2.8 Synopsis; References; 3 Uncertainty of Measurement in Quantitative Metabolomics3.1 Introduction3.1.1 MS-Based Techniques in Metabolomics; 3.1.2 Uncertainty of Measurement in Quantitative Analysis; 3.1.2.1 Definition; 3.1.2.2 Uncertainty Calculation According to the Bottom-Up Approach; 3.2 Uncertainties of Quantitative MS Experiments; 3.2.1 Uncertainties in Sample Preparation; 3.2.1.1 Sampling and Sample Preparation in Metabolite Profiling in Fermentations; 3.2.1.2 Calculation of Sample Preparation Uncertainty for Intracellular Metabolite Quantitation in Yeast: A Practical Example; 3.2.1.3 LC-MS3.2.2 Uncertainty of Mass Spectrometric Assays (LC-MS and GC-MS Measurements)3.2.2.1 GC-MS; 3.2.2.2 Calculation of Uncertainty for LC-MS Measurements of Cell Extracts: A Practical Example; 3.3 Concluding Remarks; Abbreviations; Acknowledgment; References; 4 Gas Chromatography and Comprehensive Two-Dimensional Gas Chromatography Hyphenated with Mass Spectrometry for Targeted and Nontargeted Metabolomics; 4.1 Introduction and Scope; 4.2 Sample Preparation for GC-Based Metabolite Profiling; 4.3 GC-MS and GC x GC-TOFMS Instrumentation for Metabolomics; 4.4 Data Analysis Strategies and Software4.5 Illustrative Examples and Concluding RemarksReferences; 5 LC-MS-Based Nontargeted Metabolomics; 5.1 Introduction; 5.2 LC-MS-Based Untargeted Metabolomics; 5.2.1 LC Issues; 5.2.2 Mass Spectrometry; 5.3 Study Design; 5.4 Sample Preparation; 5.5 Analytical Strategies; 5.6 Data Analysis; 5.7 Metabolite Identification; 5.8 Applications; 5.9 Synopsis; References; 6 The Potential of Ultrahigh Resolution MS (FTICR-MS) in Metabolomics; 6.1 Introduction; 6.2 Metabolomics Technologies; 6.3 Principles of FTICR-MS; 6.3.1 Natural Ion Movement Inside an ICR Cell Subjected to Magnetic and Electric Fields6.3.2 Applied Physical Techniques in FTICR-MSUnlike other handbooks in this emerging field, this guide focuses on the challenges and critical parameters in running a metabolomics study, including such often-neglected issues as sample preparation, choice of separation and detection method, recording and evaluating data as well as method validation. By systematically covering the entire workflow, from sample preparation to data processing, the insight and advice offered here helps to clear the hurdles in setting up and running a successful analysis, resulting in high-quality data from every experiment.Based on more than a decade of praMetabolismMetabolismResearchMethodologyMetabolism.MetabolismResearchMethodology.572.4La<U+00cc>˜mmerhofer Michael932130Weckwerth Wolfram916637MiAaPQMiAaPQMiAaPQBOOK9910141647203321Metabolomics in practice2096778UNINA