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Zero-field nuclear magnetic resonance of chemically exchanging systems
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Date
2019-07-05
Author
Barskiy, Danila A.
Taylen, Michael C. D.
Marco-Rius, Irene
Kurhanewicz, John
Vigneron, Daniel B.
Çıkrıkcı, Sevil
Aydoğdu, Ayça
Reh, Moritz
Pravdivtsev, Andrey N.
Hoevener, Jan-Bernd
Blanchard, John W.
Wu, Teng
Budker, Dmitry
Pines, Alexander
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Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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Zero- to ultralow-field (ZULF) nuclear magnetic resonance (NMR) is an emerging tool for precision chemical analysis. In this work, we study dynamic processes and investigate the influence of chemical exchange on ZULF NMR J-spectra. We develop a computational approach that allows quantitative calculation of J-spectra in the presence of chemical exchange and apply it to study aqueous solutions of [N-15]ammonium ((NH4+)-N-15) as a model system. We show that pH-dependent chemical exchange substantially affects the J-spectra and, in some cases, can lead to degradation and complete disappearance of the spectral features. To demonstrate potential applications of ZULF NMR for chemistry and biomedicine, we show a ZULF NMR spectrum of [2-C-13]pyruvic acid hyperpolarized via dissolution dynamic nuclear polarization (dDNP). We foresee applications of affordable and scalable ZULF NMR coupled with hyperpolarization to study chemical exchange phenomena in vivo and in situations where high-field NMR detection is not possible to implement.
Subject Keywords
General Biochemistry, Genetics and Molecular Biology
,
General Physics and Astronomy
,
General Chemistry
URI
https://hdl.handle.net/11511/51529
Journal
NATURE COMMUNICATIONS
DOI
https://doi.org/10.1038/s41467-019-10787-9
Collections
Department of Food Engineering, Article