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Mass Spectrometry: Instrumentation, Interpretation, and Applications (Wiley - Interscience Series on Mass Spectrometry)
By Dominic M. Desiderio, Nico M. Nibbering

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Publisher:  Wiley
Number Of Pages:  372
Publication Date:  2008-12-10
ISBN-10 / ASIN:  0471713953
ISBN-13 / EAN:  9780471713951
Binding:  Hardcover


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Product Description:

With contributions from noted experts from Europe and North America, Mass Spectrometry Instrumentation, Interpretation, and Applications serves as a forum to introduce students to the whole world of mass spectrometry and to the many different perspectives that each scientific field brings to its use. The book emphasizes the use of this important analytical technique in many different fields, including applications for organic and inorganic chemistry, forensic science, biotechnology, and many other areas. After describing the history of mass spectrometry, the book moves on to discuss instrumentation, theory, and basic applications.

PART I INSTRUMENTATION.

1 DEFINITIONS AND EXPLANATIONS (Ann Westman-Brinkmalm and Gunnar Brinkmalm).

References.

2 A MASS SPECTROMETER’S BUILDING BLOCKS (Ann Westman-Brinkmalm and Gunnar Brinkmalm).

2.1. Ion Sources.

2.2. Mass Analyzers.


2.3. Detectors.

References.

3 TANDEM MASS SPECTROMETRY (Ann Westman-Brinkmalm and Gunnar Brinkmalm).

3.1. Tandem MS Analyzer Combinations.

3.2. Ion Activation Methods.

References.

4 SEPARATION METHODS (Ann Westman-Brinkmalm, Jerzy Silberring, and Gunnar Brinkmalm).

4.1. Chromatography.

4.2. Electric-Field Driven Separations.

References.

PART II INTERPRETATION.

5 INTRODUCTION TO MASS SPECTRA INTERPRETATION: ORGANIC CHEMISTRY (Albert T. Lebedev).

5.1. Basic Concepts.

5.2. Inlet Systems.

5.3. Physical Bases of Mass Spectrometry.

5.4. Theoretical Rules and Approaches to Interpret Mass Spectra.

5.5. Practical Approaches to Interpret Mass Spectra.

References.

6 SEQUENCING OF PEPTIDES AND PROTEINS (Marek Noga, Tomasz Dylag, and Jerzy Silberring).

6.1. Basic Concepts.

6.2. Tandem Mass Spectrometry of Peptides and Proteins.

6.3. Peptide Fragmentation Nomenclature.

6.4. Technical Aspects and Fragmentation Rules.

6.5. Why Peptide Sequencing?

6.6. De Novo Sequencing

6.7. Peptide Derivatization Prior to Fragmentation.

Acknowledgments.

References.

Online Tutorials.

7 OPTIMIZING SENSITIVITY AND SPECIFICITY IN MASS SPECTROMETRIC PROTEOME ANALYSIS (Jan Eriksson and David Fenyö).

7.1. Quantitation.

7.2. Peptide and Protein Identification.

7.3. Success Rate and Relative Dynamic Range.


7.4. Summary.

References.

PART III APPLICATIONS.

8 DOPING CONTROL (Graham Trout).

References.

9 OCEANOGRAPHY (R. Timothy Short, Robert H. Byrne, David Hollander, Johan Schijf, Strawn K. Toler, and Edward S. VanVleet).

References.

10 “OMICS” APPLICATIONS (Simone Koñig).

10.1. Introduction.

10.2. Genomics and Transcriptomics.

10.3. Proteomics.

10.4. Metabolomics.

11 SPACE SCIENCES (Robert Sheldon).

11.1. Introduction.

11.2. Origins.

11.3. Dynamics.

11.4. The Space MS Paradox.

11.5. A Brief History of Space MS.

11.6. GENESIS and the Future.

References.

12 BIOTERRORISM (Vito G. DelVecchio and Cesar V. Mujer).


12.1. What is Bioterrorism?

12.2. Some Historical Accounts of Bioterrorism.

12.3. Geneva Protocol of 1925 and Biological Weapons Convention of 1972.

12.4. Categories of Biothreat Agents.

12.5. Challenges.

12.6. MS Identification of Biomarker Proteins.

12.7. Development of New Therapeutics and Vaccines Using Immunoproteomics.

References.

13 IMAGING OF SMALL MOLECULES (Małgorzata Iwona Szynkowska).

13.1. SIMS Imaging.

13.2. Biological Applications (Cells, Tissues, and Pharmaceuticals).

13.3. Catalysis.

13.4. Forensics.

13.5. Semiconductors.

13.6. The Future.

References.

14 UTILIZATION OF MASS SPECTROMETRY IN CLINICAL CHEMISTRY (Donald H. Chace).

14.1. Introduction.

14.2. Where are Mass Spectrometers Utilized in Clinical Applications?

14.3. Most Common Analytes Detected by Mass Spectrometers.

14.4. Multianalyte Detection of Clinical Biomarkers, The Real Success Story.

14.5. Quantitative Profiling.

14.6. A Clinical Example of the Use of Mass Spectrometry.

14.7. Demonstrations of Concepts of Quantification in Clinical Chemistry.

15 POLYMERS (Maurizio S. Montaudo).

15.1. Introduction.

15.2. Instrumentation, Sample Preparation, and Matrices.

15.3. Analysis of Ultrapure Polymer Samples.

15.4. Analysis of Polymer Samples in which all Chains Possess the Same Backbone.

15.5. Analysis of Polymer Mixtures with Different Backbones.

15.6. Determination of Average Molar Masses.

References.

16 FORENSIC SCIENCES (Maria Kala).

16.1. Introduction.

16.2. Materials Examined and Goals of Analysis.

16.3. Sample Preparation.

16.4. Systematic Toxicological Analysis.

16.5. Quantitative Analysis.

16.6. Identification of Arsons.

References.

17 NEW APPROACHES TO NEUROCHEMISTRY (Jonas Bergquist, Jerzy Silberring, and Rolf Ekman).

17.1. Introduction.

17.2. Why is there so Little Research in this Area?

17.3. Proteomics and Neurochemistry.

17.4. Conclusions.

Acknowledgments.

References.

PART IV  APPENDIX.

INDEX.


Mass Spectrometry: Instrumentation, Interpretation, and Applications
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Metabolome Analysis: An Introduction (Interscience Series on Mass Spectrometry)

By Silas G. Villas-Boas, Jens Nielsen, Jorn Smedsgaard, Michael A. E. Hansen, Ute Roessner-Tunali,

Publisher:  Wiley-Interscience
Number Of Pages:  311
Publication Date:  2007-02-16
Sales Rank:  525611
ISBN / ASIN:  0471743445
EAN:  9780471743446
Binding:  Hardcover
Manufacturer:  Wiley-Interscience
Studio:  Wiley-Interscience
Average Rating: 

PREFACE.
LIST OF CONTRIBUTORS.
PART I: CONCEPTS AND METHODOLOGY.
1 Metabolomics in Functional Genomics and Systems Biology.
1.1 From genomic sequencing to functional genomics.
1.2 Systems biology and metabolic models.
1.3 Metabolomics.
1.4 Future perspectives.
2 The Chemical Challenge of the Metabolome.
2.1 Metabolites and metabolism.
2.2 The structural diversity of metabolites.
2.2.1 The chemical and physical properties.
2.2.2 Metabolite abundance.
2.2.3 Primary and secondary metabolism.
2.3 The number of metabolites in a biological system.
2.4 Controlling rates and levels.
2.4.1 Control by substrate level.
2.4.2 Feedback and feedforward control.
2.4.3 Control by “pathway independent” regulatory molecules.
2.4.4 Allosteric control.
2.4.5 Control by compartmentalization.
2.4.6 The dynamics of the metabolism—the mass flow.
2.4.7 Control by hormones.
2.5 Metabolic channelling or metabolons.
2.6 Metabolites are arranged in networks that are part of a cellular interactome.
3 Sampling and Sample Preparation.
3.1 Introduction.
3.2 Quenching—the first step.
3.2.1 Overview on metabolite turnover.
3.2.2 Different methods for quenching.
3.2.3 Quenching microbial and cell cultures.
3.2.4 Quenching plant and animal tissues.
3.3 Obtaining metabolites from biological samples.
3.3.1 Release of intracellular metabolites.
3.3.2 Structure of the cell envelopes—the main barrier to be broken.
3.3.3 Cell disruption methods.
3.3.4 Nonmechanical disruption of cell envelopes.
3.3.5 Mechanical disruption of cell envelopes.
3.4 Metabolites in the extra cellular medium.
3.4.1 Metabolites in solution.
3.4.2 Metabolites in the gas phase.
3.5 Improving detection via sample concentration.
4 Analytical Tools.
4.1 Introduction.
4.2 Choosing a methodology.
4.3 Starting point—samples.
4.4 Principles of chromatography.
4.4.1 Basics of chromatography.
4.4.2 The chromatogram and terms in chromatography.
4.5 Chromatographic systems.
4.5.1 Gas chromatography.
4.5.2 HPLC systems.
4.6 Mass spectrometry.
4.6.1 The mass spectrometer—an overview.
4.6.2 GC-MS—the EI ion source.
4.6.3 LC-MS—the ESI ion source.
4.6.4 Mass analyzer—the quadrupole.
4.6.5 Mass analyzer—the ion-trap.
4.6.6 Mass analyzer—the time-of-flight.
4.6.7 Detection and computing in MS.
4.7 The analytical work-flow.
4.7.1 Separation by chromatography.
4.7.2 Mass spectrometry.
4.7.3 General analytical considerations.
4.8 Data evaluation.
4.8.1 Structure of data.
4.8.2 The chromatographic separation.
4.8.3 Mass spectral data.
4.8.4 Exporting data for processing.
4.9 Beyond the core methods.
4.9.1 Developments in chromatography.
4.9.2 Capillary electrophoresis.
4.9.3 Tandem MS and advanced scanning techniques.
4.9.4 NMR spectrometry.
4.10 Further reading.


Metabolome Analysis: An Introduction
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5 Data Analysis.
5.1 Organizing the data.
5.2 Scales of measurement.
5.2.1 Qualitative data.
5.2.2 Quantitative data.
5.3 Data structures.
5.4 Pre-processing of data.
5.4.1 Calibration of data.
5.4.2 Combining profi le scans.
5.4.3 Filtering.
5.4.4 Centroid calculation.
5.4.5 Internal mass scale correction.
5.4.6 Binning.
5.4.7 Baseline correction.
5.4.8 Chromatographic profi le matching.
5.5 Deconvolution of spectroscopic data.
5.6 Data standardization (normalization).
5.7 Data transformations.
5.7.1 Principal component analysis.
5.7.2 Fisher discriminant analysis.
5.8 Similarities and distances between data.
5.8.1 Continuous functions.
5.8.2 Binary functions.
5.9 Clustering techniques.
5.9.1 Hierarchical clustering.
5.9.2 k-means clustering.
5.10 Classification techniques.
5.10.1 Decision theory.
5.10.2 k-nearest neighbour.
5.10.3 Tree-based classification.
5.11 Integrated tools for automation, libraries, and data evaluation.
PART II: CASE STUDIES AND REVIEWS.
6 Yeast Metabolomics: The Discovery of New Metabolic Pathways in Saccharomyces cerevisiae.
6.1 Introduction.
6.2 Brief description of the methodology used.
6.2.1 Sample preparation.
6.2.2 The analysis.
6.3 Early discoveries.
6.4 Yeast stress response gives evidence of alternative pathway for glyoxylate biosynthesis in S.
cerevisiae.
6.5 Biosynthesis of glyoxylate from glycine in S. cerevisiae.
6.5.1 Stable isotope labelling experiment to investigate glycine catabolism in S. cerevisiae.
6.5.2 Data leveraged for speculation.
7 Microbial Metabolomics: Rapid Sampling Techniques to Investigate Intracellular Metabolite
Dynamics—An Overview.
7.1 Introduction.
7.2 Starting with a simple sampling device proposed by Theobald et al. (1993).
7.3 An improved device reported by Lange et al. (2001).
7.4 Sampling tube device by Weuster-Botz (1997).
7.5 Fully automated device by Schaefer et al. (1999).
7.6 The stopped-flow technique by Buziol et al. (2002).
7.7 The Bioscope: a system for continuous-pulse experiments.
7.8 Conclusions and perspectives.
8 Plant Metabolomics.
8.1 Introduction.
8.2 History of plant metabolomics.
8.3 Plants, their metabolism and metabolomics.
8.3.1 Plant structures.
8.3.2 Plant metabolism.
8.4 Specific challenges in plant metabolomics.
8.4.1 Light dependency of plant metabolism.
8.4.2 Extraction of plant metabolites.
8.4.3 Many cell types in one tissue.
8.4.4 The dynamical range of plant metabolites.
8.4.5 Complexity of the plant metabolome.
8.4.6 Development of databases for metabolomics-derived data in plant science.
8.5 Applications of metabolomics approaches in plant research.
8.5.1 Phenotyping.
8.5.2 Functional genomics.
8.5.3 Fluxomics.
8.5.4 Metabolic trait analysis.
8.5.5 Systems biology.
8.6 Future perspectives.
9 Mass Profi ling of Fungal Extract from Penicillium Species.
9.1 Introduction.
9.2 Methodology for screening of fungi by DiMS.
9.2.1 Cultures.
9.2.2 Extraction.
9.2.3 Analysis by direct infusion mass spectrometry.
9.3 Discussion.
9.3.1 Initial data processing.
9.3.2 Metabolite prediction.
9.3.3 Chemical diversity and similarity.
9.4 Conclusion.
10 Metabolomics in Humans and Other Mammals.
10.1 Introduction.
10.2 A brief history of mammalian metabolomics.
10.3 Sample preparation for mammalian metabolomics studies.
10.3.1 Working with blood.
10.3.2 Working with urine.
10.3.3 Working with cerebrospinal fluid.
10.3.4 Working with cells and tissues.
10.4 Sample analysis.
10.4.1 GC-MS analysis of urine, plasma, and CSF.
10.4.2 LC-MS analysis of urine, blood, and CFS.
10.4.3 NMR analysis of CSF, urine, and blood.
10.5 Applications.
10.5.1 Identification and classification of metabolic disorders.
10.6 Future outlook.
INDEX.
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