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Title: Zero-field nuclear magnetic resonance of chemically exchanging systems
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 NMRJ-spectra. We develop a computational approach that allows quantitative calculation ofJ-spectra in the presence of chemical exchange and apply it to study aqueous solutions of [15N]ammonium (15N$${\mathrm{H}}_4^ +$$H4+) as a model system. We show that pH-dependent chemical exchange substantially affects theJ-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.

 
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Award ID(s):
1709944
NSF-PAR ID:
10153432
Author(s) / Creator(s):
; ; ; ; ; ; ; ; ; ; ; ; ;
Publisher / Repository:
Nature Publishing Group
Date Published:
Journal Name:
Nature Communications
Volume:
10
Issue:
1
ISSN:
2041-1723
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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