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Cross‐peaks in simple 2D NMR experiments from chemical exchange of transverse magnetization

Waudby, CA; Frenkiel, T; Christodoulou, J; (2019) Cross‐peaks in simple 2D NMR experiments from chemical exchange of transverse magnetization. Angewandte Chemie International Edition , 58 (26) pp. 8784-8788. 10.1002/anie.201903245. Green open access

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Abstract

Two‐dimensional correlation measurements such as COSY, NOESY, HMQC and HSQC experiments are central to small molecule and biomolecular NMR spectroscopy, and commonly form the basis of more complex experiments designed to study chemical exchange occurring during additional mixing periods. However, exchange occurring during chemical shift evolution periods can also influence the appearance of such spectra. While this is often exploited through one‐dimensional lineshape analysis (‘dynamic NMR’), the analysis of exchange across multiple chemical shift evolution periods has received less attention. Here we report that chemical exchange‐induced cross‐peaks can arise in even the simplest two‐dimensional NMR experiments. These cross‐peaks can have highly distorted phases that contain rich information about the underlying exchange process. The quantitative analysis of such peaks, from a single 2D spectrum, can provide a highly accurate characterization of underlying exchange processes.

Type: Article
Title: Cross‐peaks in simple 2D NMR experiments from chemical exchange of transverse magnetization
Location: Germany
Open access status: An open access version is available from UCL Discovery
DOI: 10.1002/anie.201903245
Publisher version: https://doi.org/10.1002/anie.201903245
Language: English
Additional information: © 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Keywords: Kinetics, NMR spectroscopy, chemical exchange, dynamic NMR, lineshape analysis
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > Div of Biosciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > Div of Biosciences > Structural and Molecular Biology
URI: https://discovery.ucl.ac.uk/id/eprint/10073230
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