Pure Isotropic Proton NMR Spectra in Solids using Deep Learning.

ABSTRACT: 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.

SUBMITTER: Cordova M 

PROVIDER: S-EPMC10107932 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature