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research article

Pure Isotropic Proton NMR Spectra in Solids using Deep Learning

Cordova, Manuel  
•
Moutzouri, Pinelopi  
•
de Almeida, Bruno Simoes  
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January 13, 2023
Angewandte Chemie International Edition

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-1 solid-state NMR spectra with isotropic linewidths in the 50-400 Hz range.

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Type
research article
DOI
10.1002/anie.202216607
Web of Science ID

WOS:000912999600001

Author(s)
Cordova, Manuel  
Moutzouri, Pinelopi  
de Almeida, Bruno Simoes  
Torodii, Daria  
Emsley, Lyndon  
Date Issued

2023-01-13

Publisher

Wiley-VCH Verlag GmbH

Published in
Angewandte Chemie International Edition
Volume

62

Issue

8

Article Number

e202216607

Subjects

Chemistry, Multidisciplinary

•

Chemistry

•

machine learning

•

nmr spectroscopy

•

solid-state structures

•

carbon-carbon connectivities

•

state nmr

•

spectroscopy

•

systems

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LRM  
Available on Infoscience
February 13, 2023
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/194754
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