The handbook of metabonomics and metabolomics/ edited by John C. Lindon, Jeremy K. Nicholson and Elaine Holmes.

Includes bibliographical references and index.

Front Cover -- The Handbook of Metabonomics and Metabolomics -- Copyright Page; Table of Contents; Foreword -- Preface -- Chapter 1 Metabonomics and Metabolomics Techniques and Their Applications in Mammalian Systems -- 1.1. Metabonomics and metabolomics in relation to other "omics" approaches -- 1.2. The concept of global systems biology -- 1.3. Interactions between host and other genomes -- 1.4. Time-scales of "-omics" events -- 1.5. Samples for metabonomics and metabolomics -- 1.6. Analytical technologies -- 1.7. Chemometric methods; 1.8. New approaches to biomarker identification using chemometrics -- 1.9. Standardisation of metabolic experiments and their reporting1.10. Overview of applications of metabonomics and metabolomics to mammalian systems -- 1.11. Concluding remarks -- References; Chapter 2 Cellular Metabolomics -- The Quest for Pathway Structure; 2.1. Introduction -- 2.2. How large is the metabolome? -- 2.3. Metabolite identification -- 2.4. Pathway identification -- 2.5. "Omics" data integration; 2.6. Metabolic fluxes; 2.7. Metabolic networks; Acknowledgments; References; Chapter 3 NMR Spectroscopy Techniques for Application to Metabonomics; 3.1. Introduction; 3.2. Principles of NMR -- 3.3. Hardware requirements and automation -- 3.4. Sample handling -- 3.5. NMR Experiments and their processing -- 3.6. Data pre-processing -- 3.7. Outlook; References -- Chapter 4 High-Resolution Magic Angle Spinning NMR Spectroscopy -- 4.1. Introduction; 4.2. Nuclear spin Hamiltonian; 4.3. Coherence averaging by magic angle spinning; 4.4. MAS NMR experiments; 4.5. Pulse sequences; 4.6. Applications -- Acknowledgements; References -- Chapter 5 Chromatographic and Electrophoretic Separations Combined with Mass Spectrometry for Metabonomics; Abstract; 5.1. Introduction; 5.2. Gas Chromatography-Mass Spectrometry -- 5.3. Liquid Chromatography-Mass Spectrometry5.4. HPLC-MS for metabonomics -- 5.5. Capillary LC-MS; 5.6. Ultra performance Liquid Chromatography-Mass Spectrometry -- 5.7. Capillary zone electrophoresis-Mass Spectrometry -- 5.8. GC-, LC- and CE-MS for metabonomics -- A perspective -- 5.9. Conclusions -- References -- Chapter 6 Chemometrics Techniques for Metabonomics -- 6.1. Introduction -- 6.2. Chemometric approaches to metabonomic studies -- 6.3. Summary -- 6.4. Extensions and future outlook; References; Chapter 7 Non-linear Methods for the Analysis of Metabolic Profiles; 7.1. Introduction -- 7.2. Unsupervised methods7.3. Supervised methods -- 7.4. Other methods -- 7.5. Conclusions -- Acknowledgements -- References -- Chapter 8 Databases and Standardisation of Reporting Methods for Metabolic Studies -- 8.1. Introduction: The challenges -- 8.2. Tackling the challenges; 8.3. Standards in action - a working example; 8.4. Final remarks -- References; Chapter 9 Metabonomics in Preclinical Pharmaceutical Discovery and Development; 9.1. Introduction; 9.2. Background; 9.3. Methods -- 9.4. Preclinical efficacy -- 9.5. Preclinical toxicity -- 9.6. Conclusions; References -- Chapter 10 Applications of Metabonomics in Clinical Pharmaceutical R&D