WPR-Net: ADeep Learning Protocol for Highly AcceleratedNMR Spectroscopy with Faithful Weak Peak Reconstruction

Multidimensional NMR spectroscopy contains a large amount of molecular-level species and structure information, which is of great significance in various disciplines; however, it is unfortunately limited by lengthy acquisition times. Undersampling signals accompanied by spectral reconstruction provide a powerful and efficient way to accelerate its implementation. However, the accurate reconstruction of weak peaks remains a crucial issue to compromise the reconstruction performance. In this work, we introduce a deep learning architecture for highly accelerated NMR spectroscopy along with the reliable reconstruction of weak peaks. This deep learning protocol allows one to eliminate undersampled artifacts and reconstruct high-quality multidimensional NMR spectroscopy signals, even under the conditions of highly sparse sampling density or in the presence of severe noise. Therefore, this study provides a powerful tool for fast multidimensional NMR spectroscopy and presents meaningful application prospects toward broader chemical and biological applications.

Publication Details

Journal
Figshare
Published
2025-03-11
DOI
https://doi.org/10.1021/acs.analchem.4c04830.s001
Primary Topic
NMR spectroscopy and applications
Type
article
Field-Weighted Citation Impact
0.00
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article

WPR-Net: ADeep Learning Protocol for Highly AcceleratedNMR Spectroscopy with Faithful Weak Peak Reconstruction

Figshare
NMR spectroscopy and applications
article

WPR-Net: ADeep Learning Protocol for Highly AcceleratedNMR Spectroscopy with Faithful Weak Peak Reconstruction

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Abstract

Multidimensional NMR spectroscopy contains a large amount of molecular-level species and structure information, which is of great significance in various disciplines; however, it is unfortunately limited by lengthy acquisition times. Undersampling signals accompanied by spectral reconstruction provide a powerful and efficient way to accelerate its implementation. However, the accurate reconstruction of weak peaks remains a crucial issue to compromise the reconstruction performance. In this work, we introduce a deep learning architecture for highly accelerated NMR spectroscopy along with the reliable reconstruction of weak peaks. This deep learning protocol allows one to eliminate undersampled artifacts and reconstruct high-quality multidimensional NMR spectroscopy signals, even under the conditions of highly sparse sampling density or in the presence of severe noise. Therefore, this study provides a powerful tool for fast multidimensional NMR spectroscopy and presents meaningful application prospects toward broader chemical and biological applications.

Figshare
Openalex Percentile: Top 79%
NMR spectroscopy and applications
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