Methodologies for Metabolomics

Metabolomics, the global characterisation of the small molecule complement involved in metabolism, has evolved into a powerful suite of approaches for understanding the global physiological and pathological processes occurring in biological organisms. The diversity of metabolites, the wide range of metabolic pathways and their divergent biological contexts require a range of methodological strategies and techniques. Methodologies for Metabolomics provides a comprehensive description of the newest methodological approaches in metabolomic research. The most important technologies used to identify and quantify metabolites, including nuclear magnetic resonance and mass spectrometry, are highlighted. The integration of these techniques with classical biological methods is also addressed. Furthermore, the book presents statistical and chemometric methods for evaluation of the resultant data. The broad spectrum of topics includes a vast variety of organisms, samples and diseases, ranging from in vivo metabolomics in humans and animals to in vitro analysis of tissue samples, cultured cells and biofluids.List of contributors; Part I. Basic Methodological Strategies in Metabolomic Research: 1. Exploring the human metabolome by nuclear magnetic resonance spectroscopy and mass spectroscopy; 2. Methodological requirements for lipidomics research; 3. Biological methods for metabolic research; Part II. Metabolomic Mass Spectrometry: Experimental Techniques and Bioinformatics: 4. Considerations in sample preparation, collection, and extraction approaches applied in microbial, plant, and mammalian metabolic profiling; 5. Mass spectrometry-based methodologies for single-cell metabolite detection and identification; 6. Direct metabolomics from tissues and cells: laser ablation electrospray ionization for small molecule and lipid characterization; 7. Bioinformatic approaches to processing and annotation of high-resolution mass spectrometry data; 8. Approaches for natural product detection and structural elucidation using mass spectrometry with high mass accuracy; 9. Metabolomics using ion mobility mass spectrometry; 10. Metabolomics via biomedical mass spectrometry: from sampling to clinical applications; Part III. Metabolomics of Biofluids: Nuclear Magnetic Resonance Spectroscopy and Chemometrics: 11. Analytical techniques in metabolomics integrating nuclear magnetic resonance spectroscopy and chromatography with mass spectrometry; 12. Chemometric methods in nuclear magnetic resonance-based body fluid analysis; 13. Nuclear magnetic resonance of cerebrospinal fluid: the neurometabolome; 14. Nuclear magnetic resonance-based saliva metabolomics; 15. Nuclear magnetic resonance methods for metabolomic investigation of amniotic fluid; 16. Nuclear magnetic resonance analysis and genetic metabolic disease; 17. Lipid profiling in health and disease; Part IV. Metabolomic Nuclear Magnetic Resonance Spectroscopy Techniques for Body Tissue Analysis: 18. Magnetic resonance spectroscopy in investigating the cancer metabolome in preclinical model systems; 19. Phospholipidomics by phosphorous nuclear magnetic resonance spectroscopy of tissue extracts; 20. Carbon-13 nuclear magnetic resonance for analysis of metabolic pathways; 21. Hyperpolarized nuclear magnetic resonance spectroscopy - a new method for metabolomic research; 22. Metabolomic magnetic resonance spectroscopy of human tissues: comparison of in vivo and high-resolution magic angle spinning ex vivo techniques; 23. Reproducible sample preparation and spectrum acquisition techniques for metabolic profiling of human tissues by proton high-resolution magic angle spinning nuclear magnetic resonance; 24. Assignment strategies for nuclear magnetic resonances in metabolomics research; Index.