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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$${\mathrm{H}}_4^ +$$ ) 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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This content will become publicly available on June 1, 2026
Sensitive multichannel zero-to ultralow-field NMR with atomic magnetometer arrays
Despite its versatility and high chemical specificity, conventional nuclear magnetic resonance (NMR) spectroscopy is limited in measurement throughput due to the need for high-homogeneity magnetic fields, necessitating sequential sample analysis, and expensive devices. Here, we propose a multichannel NMR device that addresses these limitations by leveraging the zero-to ultralow-field (ZULF) regime, where simultaneous detection of multiple samples is carried out via an array of compact optically pumped magnetometers (OPMs). A magnetic field is used only for prepolarization, permitting the use of large-bore, high-field, inhomogeneous magnets that can accommodate multiple samples concurrently. Through systematic improvements, we demonstrate sensitive, high-resolution ZULF NMR spectroscopy with sensitivity comparable to benchtop 13C NMR systems. The spectroscopy remains robust without the need for field shimming for periods on the order of weeks. We show the detection of ZULF NMR signals from organic molecules without isotopic enrichment, and demonstrate the parallelized detection of three distinct samples simultaneously as a proof-of-concept, with the ability to scale further to over 100 channels at a cost comparable to traditional liquid state NMR systems. This work sets the stage for using multichannel “NMR camera” devices for inline reaction monitoring, robotic chemistry, quality control, and high-throughput assays.
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- PAR ID:
- 10654030
- Editor(s):
- Thompson, Levi
- Publisher / Repository:
- National Academies
- Date Published:
- Journal Name:
- PNAS Nexus
- Volume:
- 4
- Issue:
- 6
- ISSN:
- 2752-6542
- Subject(s) / Keyword(s):
- NMR spectroscopy optically pumped magnetometers quantum sensing
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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