Pure isotropic proton NMR spectra in solids using deep learning
Creators
- 1. Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
* Contact person
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 1H solid-state NMR spectra with isotropic linewidths in the 50-400 Hz range.
Files
File preview
files_description.md
All files
Files
(317.5 MiB)
| Name | Size | |
|---|---|---|
|
md5:bf948601983d2f796bec3f33c61f14b5
|
640 Bytes | Preview Download |
|
md5:ec2e06aef2effca4210ca36cab4c4889
|
263.8 MiB | Preview Download |
|
md5:1063ccb35b855825414891e088d2527c
|
40.4 MiB | Preview Download |
|
md5:1cf1c48691243aa4f1570313a26b8fab
|
13.0 MiB | Preview Download |
|
md5:c6813b6bd845a76bd956f15b6555a12a
|
182.2 KiB | Preview Download |
|
md5:c69af26fad5f5f72293b68479583d471
|
47.7 KiB | Preview Download |
References
Journal reference (Paper in which the method is described) M. Cordova, P. Moutzouri, B. Simões de Almeida, D. Torodii, L. Emsley, Angew. Chem. Int. Ed. 62, e202216607 (2023), doi: 10.1002/anie.202216607
Software (Github repository containing the code) M. Cordova, P. Moutzouri, B. Simões de Almeida, D. Torodii, L. Emsley, Angew. Chem. Int. Ed. 62, e202216607 (2023)