1. Overview of NMR Spectroscopy-Based Metabolomics: Opportunities and Challenges
G.A. Nagana Gowda and Daniel Raftery
Part II: Metabolite Analysis Methods
2. Analysis of Plasma, Serum, and Whole Blood Metabolites Using 1H NMR Spectroscopy
G.A. Nagana Gowda and Daniel Raftery
3. Lipid Profiling Using 1H-NMR Spectroscopy
Miriam Gil, Sara Samino, Rubén Barrilero, and Xavier Correig
4. High Resolution Magic Angle Spinning (HRMAS) NMR Methods in Metabolomics
Marlon Tilgner, Tim S. Vater, Piet Habbel, and Leo L. Cheng
5. Practical Guidelines for 13C-Based NMR Metabolomics
Arthur S. Edison, Adrien Le Guennec, Frank Delaglio, and Ēriks Kupče
6. Analysis of Coenzymes and Antioxidants in Tissue and Blood Using 1D 1H NMR Spectroscopy
G.A. Nagana Gowda and Daniel Raftery
Part III: Unknown Resonance Identification
7. UHPLC-QTOF-MS/MS-SPE-NMR: A Solution to the Metabolomics Grand Challenge of Higher-Throughput, Confident Metabolite Identifications
Anil Bhatia, Saurav J. Sarma, Zhentian Lei, and Lloyd W. Sumner
8. Fast NMR Methods for Identification of Resonances and Metabolic Pathways
Abhinav Dubey, Shivanand M. Pudakalakatti, and Hanudatta S. Atreya
Part IV: Stable Isotope-Resolved NMR
9. Stable Isotope-Resolved Metabolomics by NMR
Penghui Lin, Andrew N. Lane, and Teresa W-M Fan
10. Tracking Metabolic Rewiring of Cancer Metabolism in Humans Using Isotope-Resolved NMR
Kumar Pichumani
Part V: Biomarker Discovery
11. NMR-Based Metabolomics in Cardiac Research
Julian L. Griffin and Cecilia Castro
12. Breast Cancer Metabolomics Using NMR
Uma Sharma and Naranamangalam R. Jagannathan
13. NMR-Based Urinary Metabolomics Applications
Tedros Bezabeh, Ana Capati, and Omkar B. Ijare
14. NMR-Based Metabolomics in Gallbladder Cancer Research
Renuka Ranjan and Neeraj Sinha
15. Biomarker Discovery Using NMR-Based Metabolomics of Tissue
Maria T. Grinde, Guro F. Giskeødegård, Trygve Andreassen, May-Britt Tessem, Tone F. Bathen, and Siver A. Moestue
Part VI: Drug Discovery
16. NMR Metabolomics Protocols for Drug Discovery
Fatema Bhinderwala and Robert Powers
Part VII: Environmental Studies
17. Practical Aspects of the Analysis of Low- and High-Field NMR Data from Environmental Samples
Jun Kikuchi
Part VIII: Food, Nutrition, and Plants
18. NMR-Based Metabolomics of Food
Ulrik K. Sundekilde, Nina Eggers, and Hanne C. Bertram
19. Plant Metabolomics Using NMR Spectroscopy
Denise Medeiros Selegato, Alan Cesar Pilon, and Fausto Carnevale Neto
Part IX: Ultrafast and Ultrahigh-Resolution Methods
20. Fast Quantitative 2D NMR for Untargeted and Targeted Metabolomics
Estelle Martineau and Patrick Giraudeau
21. Targeted Metabolomics with Quantitative Dissolution Dynamic Nuclear Polarization
Mathilde H. Lerche, Magnus Karlsson, Jan H. Ardenkjær-Larsen, and Pernille R. Jensen
22. Metabolic Profiling Using In Vivo High Field Flow NMR
Maryam Tabatabaei Anaraki, Daniel Lane, Monica Bastawrous, Amy Jenne, and André J. Simpson
Part X: Automation, Databases and Software Tools
23. Tools for Enhanced NMR-Based Metabolomics Analysis
John L. Markley, Hesam Dashti, Jonathan R. Wedell, William M. Westler, and Hamid R. Eghbalnia
24. Automated Tools for the Analysis of 1D and 2D NMR Spectra
Matthias Lipfert, Manoj Kumar Rout, Mark Berjanskii, and David S. Wishart
Part XI: Data Processing and Statistical Methods
25. Processing and Analysis of Untargeted Multi-Cohort NMR Data
Timothy M.D. Ebbels, Ibrahim Karaman, and Gonçalo Graça
26. Advanced Statistical Methods for NMR-Based Metabolomics
Dabao Zhang and Min Zhang
This book provides broad coverage of nuclear magnetic resonance (NMR) spectroscopy-based methods and applications for the analysis of metabolites in a wide range of biological samples, from biofluids, cells, animal models, human, to plants and foods. The applications range from mechanistic understanding, biomarker discovery, environmental studies, and drug discovery to nutrition, while NMR methods include global, targeted, and isotope tracer-based techniques. Written for the highly successful Methods in Molecular Biology series, 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.
Authoritative and practical, NMR-Based Metabolomics: Methods and Protocols serves as a wealth of information for beginners as well as advanced practitioners and also as stepping stones for further advances in the field of metabolomics.