Zero-field nuclear magnetic resonance of chemically exchanging systems

Danila A. Barskiy (), Michael C. D. Tayler, Irene Marco-Rius, John Kurhanewicz, Daniel B. Vigneron, Sevil Cikrikci, Ayca Aydogdu, Moritz Reh, Andrey N. Pravdivtsev, Jan-Bernd Hövener, John W. Blanchard, Teng Wu, Dmitry Budker and Alexander Pines
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Danila A. Barskiy: University of California—Berkeley
Michael C. D. Tayler: University of Cambridge
Irene Marco-Rius: University of California—San Francisco
John Kurhanewicz: University of California—San Francisco
Daniel B. Vigneron: University of California—San Francisco
Sevil Cikrikci: University of California—Berkeley
Ayca Aydogdu: University of California—Berkeley
Moritz Reh: University of California—Berkeley
Andrey N. Pravdivtsev: Kiel University
Jan-Bernd Hövener: Kiel University
John W. Blanchard: Johannes Gutenberg-Universität
Teng Wu: Johannes Gutenberg-Universität
Dmitry Budker: University of California—Berkeley
Alexander Pines: University of California—Berkeley

Nature Communications, 2019, vol. 10, issue 1, 1-9

Abstract: Abstract 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 [15N]ammonium (15N $${\mathrm{H}}_4^ +$$ H 4 + ) 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 [2-13C]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.

Date: 2019
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DOI: 10.1038/s41467-019-10787-9

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