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Resolution enhancement of NMR by decoupling with the low-rank Hankel model.
Qiu, Tianyu; Jahangiri, Amir; Han, Xiao; Lesovoy, Dmitry; Agback, Tatiana; Agback, Peter; Achour, Adnane; Qu, Xiaobo; Orekhov, Vladislav.
Afiliación
  • Qiu T; Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Biomedical Intelligent Cloud Research and Development Centre, Xiamen University, Xiamen, 361005, China. quxiaobo@xmu.edu.cn.
  • Jahangiri A; Department of Chemistry and Molecular Biology, and Swedish NMR Centre, University of Gothenburg, Box 465, Gothenburg, 40530, Sweden. Vladislav.Orekhov@nmr.gu.se.
  • Han X; Department of Chemistry and Molecular Biology, and Swedish NMR Centre, University of Gothenburg, Box 465, Gothenburg, 40530, Sweden. Vladislav.Orekhov@nmr.gu.se.
  • Lesovoy D; Science for Life Laboratory, Department of Medicine, Karolinska Institute, and Division of Infectious Diseases, Karolinska University Hospital, Stockholm, 17176, Sweden.
  • Agback T; Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry RA, Moscow, 117997, Russia.
  • Agback P; Department of Molecular Sciences, Swedish University of Agricultural Sciences, Box 7015, Uppsala, 75007, Sweden.
  • Achour A; Department of Molecular Sciences, Swedish University of Agricultural Sciences, Box 7015, Uppsala, 75007, Sweden.
  • Qu X; Science for Life Laboratory, Department of Medicine, Karolinska Institute, and Division of Infectious Diseases, Karolinska University Hospital, Stockholm, 17176, Sweden.
  • Orekhov V; Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Biomedical Intelligent Cloud Research and Development Centre, Xiamen University, Xiamen, 361005, China. quxiaobo@xmu.edu.cn.
Chem Commun (Camb) ; 59(36): 5475-5478, 2023 May 02.
Article en En | MEDLINE | ID: mdl-37070867
ABSTRACT
Nuclear magnetic resonance (NMR) spectroscopy has become a formidable tool for biochemistry and medicine. Although J-coupling carries essential structural information it may also limit the spectral resolution. Homonuclear decoupling remains a challenging problem. In this work, we introduce a new approach that uses a specific coupling value as prior knowledge, and the Hankel property of the exponential NMR signal to achieve broadband heteronuclear decoupling using the low-rank method. Our results on synthetic and realistic HMQC spectra demonstrate that the proposed method not only effectively enhances resolution by decoupling, but also maintains sensitivity and suppresses spectral artefacts. The approach can be combined with non-uniform sampling, which means that the resolution can be further improved without any extra acquisition time.

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: China

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: China