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\[{\mathrm{H}}_4^ +\]) 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.

Details

Title
Zero-field nuclear magnetic resonance of chemically exchanging systems
Author
Barskiy, Danila A 1   VIAFID ORCID Logo  ; Tayler, Michael C D 2   VIAFID ORCID Logo  ; Marco-Rius, Irene 3   VIAFID ORCID Logo  ; Kurhanewicz, John 4 ; Vigneron, Daniel B 4 ; Cikrikci, Sevil 5 ; Aydogdu, Ayca 5 ; Reh, Moritz 6 ; Pravdivtsev, Andrey N 7 ; Jan-Bernd Hövener 7 ; Blanchard, John W 8   VIAFID ORCID Logo  ; Wu, Teng 8   VIAFID ORCID Logo  ; Budker, Dmitry 9 ; Pines, Alexander 1   VIAFID ORCID Logo 

 Department of Chemistry, University of California—Berkeley, Berkeley, CA, USA; Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA 
 Department of Chemical Engineering and Biotechnology, University of Cambridge, West Cambridge, UK; The Institute of Photonic Sciences, Castelldefels, Spain 
 Department of Radiology and Biomedical Imaging, University of California—San Francisco, San Francisco, CA, USA; Institute for Bioengineering of Catalonia, The Barcelona Institute of Science and Technology, Barcelona, Spain 
 Department of Radiology and Biomedical Imaging, University of California—San Francisco, San Francisco, CA, USA 
 Department of Chemistry, University of California—Berkeley, Berkeley, CA, USA; Food Engineering Department, Middle East Technical University, Ankara, Turkey 
 Department of Physics, University of California—Berkeley, Berkeley, CA, USA 
 Section for Biomedical Imaging, Molecular Imaging North Competence Center (MOIN CC), Department of Radiology and Neuroradiology, University Medical Center Schleswig-Holstein (UKSH), Kiel University, Kiel, Germany 
 Helmholtz-Institut Mainz, Johannes Gutenberg-Universität, Mainz, Germany 
 Department of Physics, University of California—Berkeley, Berkeley, CA, USA; Helmholtz-Institut Mainz, Johannes Gutenberg-Universität, Mainz, Germany 
Pages
1-9
Publication year
2019
Publication date
Jul 2019
Publisher
Nature Publishing Group
e-ISSN
20411723
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2252669331
Copyright
© 2019. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.