Articles | Volume 2, issue 2
Research article
10 Aug 2021
Research article |  | 10 Aug 2021

Virtual decoupling to break the simplification versus resolution trade-off in nuclear magnetic resonance of complex metabolic mixtures

Cyril Charlier, Neil Cox, Sophie Martine Prud'homme, Alain Geffard, Jean-Marc Nuzillard, Burkhard Luy, and Guy Lippens

Model code and software

NMRTeamTBI/VirtualDecoupling: Virtual Decoupling v1.0 (main) C. Charlier, NMRTeamTBI, and P. Millard

Short summary
The HSQC experiment developed by Bodenhausen and Ruben is a cornerstone for modern NMR. When used in the field of metabolomics, the common practice of decoupling in the proton dimension limits the acquisition time and hence the resolution. Here, we present a virtual decoupling method to maintain both spectral simplicity and resolution, and demonstrate how it increases information content with the zebra mussel metabolome as an example.