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Updated: Mar 17, 2026

Structural Studies of Macromolecules in Solution using Small Angle X-Ray Scattering
Published on: November 5, 2018
Combined maximum-quantum and DOSY 3D experiments provide enhanced resolution for small molecules in mixtures
G N Manjunatha Reddy1, Mehdi Yemloul2, Stefano Caldarelli1,2
1Institut de Chimie des Substances Naturelles, CNRS UPR 2301 Avenue de la Terrasse, 91190, Gif-sur-Yvette, France.
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.
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