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Combined maximum‐quantum and DOSY 3D experiments provide enhanced resolution for small molecules in mixtures
Author(s) -
Manjunatha Reddy G. N.,
Yemloul Mehdi,
Caldarelli Stefano
Publication year - 2017
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4465
Subject(s) - chemistry , diffusion , molecule , resolution (logic) , sampling (signal processing) , nuclear magnetic resonance spectroscopy , quantum , spectral line , spectroscopy , computational physics , projection (relational algebra) , nmr spectra database , analytical chemistry (journal) , chemical physics , algorithm , optics , chromatography , physics , thermodynamics , computer science , quantum mechanics , organic chemistry , artificial intelligence , detector
We illustrate here as the combination of high‐order maximum‐quantum (MaxQ) and Diffusion‐Ordered SpectroscopY (DOSY) NMR experiments in a 3D layout allows superior resolution for crowded NMR spectra. Non‐uniform sampling (NUS) allows compressing the experimental time effectively to reasonable durations. Because diffusion effects were encoded within multiple‐quantum coherences, increased sensitivity to magnetic field gradients is observed, requiring compensation for convection effects. The experiment was demonstrated on the spectra of a mix of small polyaromatic molecules. Specifically, in the case analyzed, the experiment provided an extreme simplification through the MaxQDOSY‐MaxQ projection plane that presents one peak per molecule. Copyright © 2016 John Wiley & Sons, Ltd.