Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods

利用多维核磁共振和混合质谱/核磁共振方法鉴定代谢组学中的已知和未知成分

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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.

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