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High-Resolution Reconstruction for Multidimensional Laplace NMR

[Image: see text] As a perfect complement to conventional NMR that aims for chemical structure elucidation, Laplace NMR constitutes a powerful technique to study spin relaxation and diffusion, revealing information on molecular motions and spin interactions. Different from conventional NMR adopting...

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Autores principales: Lin, Enping, Telkki, Ville-Veikko, Lin, Xiaoqing, Huang, Chengda, Zhan, Haolin, Yang, Yu, Huang, Yuqing, Chen, Zhong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8397344/
https://www.ncbi.nlm.nih.gov/pubmed/34028285
http://dx.doi.org/10.1021/acs.jpclett.1c01022
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author Lin, Enping
Telkki, Ville-Veikko
Lin, Xiaoqing
Huang, Chengda
Zhan, Haolin
Yang, Yu
Huang, Yuqing
Chen, Zhong
author_facet Lin, Enping
Telkki, Ville-Veikko
Lin, Xiaoqing
Huang, Chengda
Zhan, Haolin
Yang, Yu
Huang, Yuqing
Chen, Zhong
author_sort Lin, Enping
collection PubMed
description [Image: see text] As a perfect complement to conventional NMR that aims for chemical structure elucidation, Laplace NMR constitutes a powerful technique to study spin relaxation and diffusion, revealing information on molecular motions and spin interactions. Different from conventional NMR adopting Fourier transform to deal with the acquired data, Laplace NMR relies on specially designed signal processing and reconstruction algorithms resembling the inverse Laplace transform, and it generally faces severe challenges in cases where high spectral resolution and high spectral dimensionality are required. Herein, based on the tensor technique for high-dimensional problems and the sparsity assumption, we propose a general method for high-resolution reconstruction of multidimensional Laplace NMR data. We show that the proposed method can reconstruct multidimensional Laplace NMR spectra in a high-resolution manner for exponentially decaying relaxation and diffusion data acquired by commercial NMR instruments. Therefore, it would broaden the scope of multidimensional Laplace NMR applications.
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spelling pubmed-83973442021-08-31 High-Resolution Reconstruction for Multidimensional Laplace NMR Lin, Enping Telkki, Ville-Veikko Lin, Xiaoqing Huang, Chengda Zhan, Haolin Yang, Yu Huang, Yuqing Chen, Zhong J Phys Chem Lett [Image: see text] As a perfect complement to conventional NMR that aims for chemical structure elucidation, Laplace NMR constitutes a powerful technique to study spin relaxation and diffusion, revealing information on molecular motions and spin interactions. Different from conventional NMR adopting Fourier transform to deal with the acquired data, Laplace NMR relies on specially designed signal processing and reconstruction algorithms resembling the inverse Laplace transform, and it generally faces severe challenges in cases where high spectral resolution and high spectral dimensionality are required. Herein, based on the tensor technique for high-dimensional problems and the sparsity assumption, we propose a general method for high-resolution reconstruction of multidimensional Laplace NMR data. We show that the proposed method can reconstruct multidimensional Laplace NMR spectra in a high-resolution manner for exponentially decaying relaxation and diffusion data acquired by commercial NMR instruments. Therefore, it would broaden the scope of multidimensional Laplace NMR applications. American Chemical Society 2021-05-24 2021-06-03 /pmc/articles/PMC8397344/ /pubmed/34028285 http://dx.doi.org/10.1021/acs.jpclett.1c01022 Text en © 2021 American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Lin, Enping
Telkki, Ville-Veikko
Lin, Xiaoqing
Huang, Chengda
Zhan, Haolin
Yang, Yu
Huang, Yuqing
Chen, Zhong
High-Resolution Reconstruction for Multidimensional Laplace NMR
title High-Resolution Reconstruction for Multidimensional Laplace NMR
title_full High-Resolution Reconstruction for Multidimensional Laplace NMR
title_fullStr High-Resolution Reconstruction for Multidimensional Laplace NMR
title_full_unstemmed High-Resolution Reconstruction for Multidimensional Laplace NMR
title_short High-Resolution Reconstruction for Multidimensional Laplace NMR
title_sort high-resolution reconstruction for multidimensional laplace nmr
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8397344/
https://www.ncbi.nlm.nih.gov/pubmed/34028285
http://dx.doi.org/10.1021/acs.jpclett.1c01022
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