Optimizing water suppression for quantitative NMR-based metabolomics: a tutorial review

摘要: In nuclear magnetic resonance (NMR)-based metabolomics, the water suppression scheme is one of elements that most impact overall quality spectrum. The choice solvent and associated parameters has therefore a high on accuracy resulting spectra. As consequence, potential users 1H NMR quantitative metabolomics would certainly benefit from set practical tools recommendations to choose experimental leading—for specific question—to accurate precise analysis spectra with suppression. This tutorial review structured into four parts which address following questions: (1) why suppress signal? (2) what are difficulties in suppressing (3) methods available (4) criteria pertinent optimize compare different methods? These completed by an section describing details all pulse sequences used this paper. For each method, performances greatly depend chosen parameters. instance, robustness NOESY-1D block significantly modified when mixing time changed. Therefore, we propose simple protocols can be exploited evaluate method.