NMR spectrum reconstruction as a pattern recognition problem.


Journal

Journal of magnetic resonance (San Diego, Calif. : 1997)
ISSN: 1096-0856
Titre abrégé: J Magn Reson
Pays: United States
ID NLM: 9707935

Informations de publication

Date de publication:
01 2023
Historique:
received: 13 09 2022
revised: 15 11 2022
accepted: 19 11 2022
pubmed: 3 12 2022
medline: 24 1 2023
entrez: 2 12 2022
Statut: ppublish

Résumé

A new deep neural network based on the WaveNet architecture (WNN) is presented, which is designed to grasp specific patterns in the NMR spectra. When trained at a fixed non-uniform sampling (NUS) schedule, the WNN benefits from pattern recognition of the corresponding point spread function (PSF) pattern produced by each spectral peak resulting in the highest quality and robust reconstruction of the NUS spectra as demonstrated in simulations and exemplified in this work on 2D

Identifiants

pubmed: 36459916
pii: S1090-7807(22)00200-2
doi: 10.1016/j.jmr.2022.107342
pii:
doi:

Substances chimiques

Ubiquitin 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't Research Support, N.I.H., Extramural

Langues

eng

Sous-ensembles de citation

IM

Pagination

107342

Subventions

Organisme : NIGMS NIH HHS
ID : P41 GM111135
Pays : United States

Informations de copyright

Copyright © 2022 The Author(s). Published by Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Auteurs

Amir Jahangiri (A)

Department of Chemistry and Molecular Biology, Swedish NMR Centre, University of Gothenburg, Box 465, Gothenburg 40530, Sweden.

Xiao Han (X)

Science for Life Laboratory, Department of Medicine, Karolinska Institute, and Division of Infectious Diseases, Karolinska University Hospital, Stockholm 17176, Sweden.

Dmitry Lesovoy (D)

Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry RA, Moscow 117997, Russia.

Tatiana Agback (T)

Department of Molecular Sciences, Swedish University of Agricultural Sciences, Box 7015, Uppsala 75007, Sweden.

Peter Agback (P)

Department of Molecular Sciences, Swedish University of Agricultural Sciences, Box 7015, Uppsala 75007, Sweden.

Adnane Achour (A)

Science for Life Laboratory, Department of Medicine, Karolinska Institute, and Division of Infectious Diseases, Karolinska University Hospital, Stockholm 17176, Sweden.

Vladislav Orekhov (V)

Department of Chemistry and Molecular Biology, Swedish NMR Centre, University of Gothenburg, Box 465, Gothenburg 40530, Sweden. Electronic address: vladislav.orekhov@nmr.gu.se.

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Classifications MeSH