title: Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods.
abstract: Metabolomics continues to make rapid progress through the development of new and better methods and their applications to gain insight into the metabolism of a wide range of different biological systems from a systems biology perspective. Customization of NMR databases and search tools allows the faster and more accurate identification of known metabolites, whereas the identification of unknowns, without a need for extensive purification, requires new strategies to integrate NMR with mass spectrometry, cheminformatics, and computational methods. For some applications, the use of covalent and non-covalent attachments in the form of labeled tags or nanoparticles can significantly reduce the complexity of these tasks.
authors.affiliation: Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA 99354, United States.
authors.forename: Kerem
authors.initials: K
authors.lastname: Bingol
authors.affiliation: Campus Chemical Instrument Center, The Ohio State University, Columbus, OH 43210, United States; Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH 43210, United States; Department of Biological Chemistry and Pharmacology, The Ohio State University, Columbus, OH 43210, United States. Electronic address: bruschweiler.1@osu.edu.
authors.forename: Rafael
authors.initials: R
authors.lastname: Brüschweiler
mesh_terms: D000818:Animals; D015415:Biomarkers / Q000032:analysis*; D016208:Databases, Factual; D006801:Humans; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*; D055432:Metabolomics / Q000379:methods*; D049490:Systems Biology / Q000379:methods*
chemical_list: D015415:Biomarkers