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- Title
Virtual decoupling to break the simplification versus resolution trade-off in nuclear magnetic resonance of complex metabolic mixtures.
- Authors
Charlier, Cyril; Cox, Neil; Prud'homme, Sophie Martine; Geffard, Alain; Nuzillard, Jean-Marc; Luy, Burkhard; Lippens, Guy
- Abstract
The heteronuclear single quantum correlation (HSQC) experiment developed by Bodenhausen and Ruben (1980) in the early days of modern nuclear magnetic resonance (NMR) is without a doubt one of the most widely used experiments, with applications in almost every aspect of NMR including metabolomics. Acquiring this experiment, however, always implies a trade-off: simplification versus resolution. Here, we present a method that artificially lifts this barrier and demonstrate its application towards metabolite identification in a complex mixture. Based on the measurement of clean in-phase and clean anti-phase (CLIP/CLAP) HSQC spectra (Enthart et al., 2008), we construct a virtually decoupled HSQC (vd-HSQC) spectrum that maintains the highest possible resolution in the proton dimension. Combining this vd-HSQC spectrum with a J -resolved spectrum (Pell and Keeler, 2007) provides useful information for the one-dimensional proton spectrum assignment and for the identification of metabolites in Dreissena polymorpha (Prud'homme et al., 2020).
- Subjects
NUCLEAR magnetic resonance; QUANTUM correlations; METABOLOMICS; ZEBRA mussel; PROTON spectra
- Publication
Magnetic Resonance, 2021, Vol 2, Issue 2, p619
- ISSN
2699-0016
- Publication type
Article
- DOI
10.5194/mr-2-619-2021