Combined maximum-quantum and DOSY 3D experiments provide enhanced resolution for small molecules in mixtures

G N Manjunatha Reddy; Mehdi Yemloul; Stefano Caldarelli

doi:10.1002/mrc.4465

Combined maximum-quantum and DOSY 3D experiments provide enhanced resolution for small molecules in mixtures

Magn Reson Chem. 2017 May;55(5):492-497. doi: 10.1002/mrc.4465. Epub 2016 Jul 24.

Authors

G N Manjunatha Reddy¹, Mehdi Yemloul², Stefano Caldarelli^{1

2}

Affiliations

¹ Institut de Chimie des Substances Naturelles, CNRS UPR 2301 Avenue de la Terrasse, 91190, Gif-sur-Yvette, France.
² Aix-Marseille Université, CNRS, Centrale Marseille, Institut des Sciences Moleculaires de Marseille, (iSm2, UMR 7313), 13397, Marseille, France.

PMID: 27452153
DOI: 10.1002/mrc.4465

Abstract

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.

Keywords: 1H; DOSY; NMR; mixtures; multiple-quantum; non-uniform sampling (NUS).