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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, magnets that can accommodate multiple samples concurrently. Through systematic improvements, we demonstrate sensitive, high-resolution ZULF NMR spectroscopy with sensitivity comparable to benchtop C 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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http://dx.doi.org/10.1093/pnasnexus/pgaf187 | DOI Listing |
Prog Nucl Magn Reson Spectrosc
February 2025
Brown Boveri Platz 4, 5400 Baden, Switzerland.
Zero and ultralow-field nuclear magnetic resonance (ZULF NMR) is an NMR modality where experiments are performed in fields at which spin-spin interactions within molecules and materials are stronger than Zeeman interactions. This typically occurs at external fields of microtesla strength or below, considerably smaller than Earth's field. In ZULF NMR, the measurement of spin-spin couplings and spin relaxation rates provides a nondestructive means for identifying chemicals and chemical fragments, and for conducting sample or process analyses.
View Article and Find Full Text PDFAnal Chem
August 2025
Section Biomedical Imaging, Molecular Imaging North Competence Center (MOIN CC), Department of Radiology and Neuroradiology, University Hospital Schleswig-Holstein (UKSH), Kiel University, Kiel 24118, Germany.
This study develops the two-field correlation spectroscopy (COSY) in zero to ultralow field (ZULF) liquid state nuclear magnetic resonance (NMR). We demonstrated the successful integration of signal amplification by reversible exchange (SABRE) hyperpolarization with two-dimensional (2D) NMR spectroscopy, enabling the detection of ZULF COSY spectra with increased sensitivity. Field cycling allowed the acquisition of two-field COSY spectra at varying magnetic field strengths, including zero-field conditions.
View Article and Find Full Text PDFPNAS Nexus
June 2025
Department of Chemistry, University of California, Berkeley, Berkeley, CA 94720, USA.
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, magnets that can accommodate multiple samples concurrently.
View Article and Find Full Text PDFChemphyschem
July 2025
Section Biomedical Imaging (SBMI)Molecular Imaging North Competence Center (MOIN CC)Department of Radiology and Neuroradiology, University Hospital Schleswig-Holstein (UKSH), Kiel University, Am Botanischen Garten 14, 24118, Kiel, Germany.
In nuclear magnetic resonance (NMR), the bulk magnetization of a sample is commonly assumed to be proportional to spin polarization, with each spin of the same type contributing equally to the measured signal. Herein, the high-field theorem for general spin-I systems (where I is the spin quantum number): the total measurable NMR signal remains unaffected by the grouping of spins into equivalent units (e.g.
View Article and Find Full Text PDFNat Commun
May 2024
Helmholtz-Institut Mainz, 55099, Mainz, Germany.
Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) allows molecular structure elucidation via measurement of electron-mediated spin-spin J-couplings. This study examines zero-field J-spectra from molecules with quadrupolar nuclei, exemplified by solutions of various isotopologues of ammonium cations. The spectra reveal differences between various isotopologues upon extracting precise J-coupling values from pulse-acquire measurements.
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