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Zero-field nuclear magnetic resonance of chemically exchanging systems

Author

Listed:
  • Danila A. Barskiy

    (University of California—Berkeley
    Lawrence Berkeley National Laboratory)

  • Michael C. D. Tayler

    (University of Cambridge
    The Institute of Photonic Sciences)

  • Irene Marco-Rius

    (University of California—San Francisco
    The Barcelona Institute of Science and Technology)

  • John Kurhanewicz

    (University of California—San Francisco)

  • Daniel B. Vigneron

    (University of California—San Francisco)

  • Sevil Cikrikci

    (University of California—Berkeley
    Middle East Technical University)

  • Ayca Aydogdu

    (University of California—Berkeley
    Middle East Technical University)

  • 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
    Johannes Gutenberg-Universität)

  • Alexander Pines

    (University of California—Berkeley
    Lawrence Berkeley National Laboratory)

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.

Suggested Citation

  • 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. B, 2019. "Zero-field nuclear magnetic resonance of chemically exchanging systems," Nature Communications, Nature, vol. 10(1), pages 1-9, December.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-10787-9
    DOI: 10.1038/s41467-019-10787-9
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