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Research article - Peer-reviewed, 2023

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


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.

Published in

Chemical Communications
2023, Volume: 59, number: 36, pages: 5475–5478