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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
Descripción
Sumario: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.