Pure Isotropic Proton NMR Spectra in Solids using Deep Learning.

Angew Chem Int Ed Engl

Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015, Lausanne, Switzerland.

Published: February 2023

The resolution of proton solid-state NMR spectra is usually limited by broadening arising from dipolar interactions between spins. Magic-angle spinning alleviates this broadening by inducing coherent averaging. However, even the highest spinning rates experimentally accessible today are not able to completely remove dipolar interactions. Here, we introduce a deep learning approach to determine pure isotropic proton spectra from a two-dimensional set of magic-angle spinning spectra acquired at different spinning rates. Applying the model to 8 organic solids yields high-resolution H solid-state NMR spectra with isotropic linewidths in the 50-400 Hz range.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10107932PMC
http://dx.doi.org/10.1002/anie.202216607DOI Listing

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