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Pure Isotropic Proton NMR Spectra in Solids using Deep Learning

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...

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Detalles Bibliográficos
Autores principales: Cordova, Manuel, Moutzouri, Pinelopi, Simões de Almeida, Bruno, Torodii, Daria, Emsley, Lyndon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10107932/
https://www.ncbi.nlm.nih.gov/pubmed/36562545
http://dx.doi.org/10.1002/anie.202216607
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author Cordova, Manuel
Moutzouri, Pinelopi
Simões de Almeida, Bruno
Torodii, Daria
Emsley, Lyndon
author_facet Cordova, Manuel
Moutzouri, Pinelopi
Simões de Almeida, Bruno
Torodii, Daria
Emsley, Lyndon
author_sort Cordova, Manuel
collection PubMed
description 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 (1)H solid‐state NMR spectra with isotropic linewidths in the 50–400 Hz range.
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spelling pubmed-101079322023-04-18 Pure Isotropic Proton NMR Spectra in Solids using Deep Learning Cordova, Manuel Moutzouri, Pinelopi Simões de Almeida, Bruno Torodii, Daria Emsley, Lyndon Angew Chem Int Ed Engl Research Articles 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 (1)H solid‐state NMR spectra with isotropic linewidths in the 50–400 Hz range. John Wiley and Sons Inc. 2023-01-13 2023-02-13 /pmc/articles/PMC10107932/ /pubmed/36562545 http://dx.doi.org/10.1002/anie.202216607 Text en © 2022 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH https://creativecommons.org/licenses/by-nc/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc/4.0/ (https://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Research Articles
Cordova, Manuel
Moutzouri, Pinelopi
Simões de Almeida, Bruno
Torodii, Daria
Emsley, Lyndon
Pure Isotropic Proton NMR Spectra in Solids using Deep Learning
title Pure Isotropic Proton NMR Spectra in Solids using Deep Learning
title_full Pure Isotropic Proton NMR Spectra in Solids using Deep Learning
title_fullStr Pure Isotropic Proton NMR Spectra in Solids using Deep Learning
title_full_unstemmed Pure Isotropic Proton NMR Spectra in Solids using Deep Learning
title_short Pure Isotropic Proton NMR Spectra in Solids using Deep Learning
title_sort pure isotropic proton nmr spectra in solids using deep learning
topic Research Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10107932/
https://www.ncbi.nlm.nih.gov/pubmed/36562545
http://dx.doi.org/10.1002/anie.202216607
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