Detection Limits of Blood Metabolites at Physiological Concentrations Using Benchtop 1$$ {}^1 $$H NMR

Commercial low-field (LF) magnetic resonance spectroscopy (MRS) offers a route to rapid and repeated in vivo metabolite tracking; however, its sensitivity and interpretability at physiological concentrations remain underexplored. Here, we evaluate the performance of an 80-MHz benchtop nuclear magnetic resonance (NMR) spectrometer (Bruker Fourier 80) across several key blood metabolites at physiological concentrations, ranging between 0.05 and 10.0 mmol/L. We characterise the relationship between metabolite concentration, acquisition time and signal-to-noise ratio (SNR) for multiple pulse sequences and assess how the choice of SNR definition influences reported detection and quantification thresholds. Metabolites present at millimolar levels, such as glucose and lactate, were readily detectable within 20 s, with the water-suppressing wet pulse sequence yielding the highest SNR at fixed acquisition time. Concentration differences were also readily distinguishable. In contrast, submillimolar metabolites such as citrate require over 4 min to reach conventional detection thresholds, constraining their applicability to rapid metabolite tracking via MRS. To address interpretability in low-SNR data, we introduce a template-fitting approach based on simulated standards from CcpNMR AnalysisAssign, which stabilised relative metabolite quantification under low-SNR conditions. These results establish quantitative benchmarks for LF NMR metabolite detection and demonstrate how simulation-assisted analysis can extend its utility. These findings inform both the selection of target metabolites and optimisation strategies for emerging commercial in vivo MRS devices, including the DigiScan<sup>TM</sup> finger-scanner, supporting their development as accessible tools for real-time metabolic tracking in personalised healthcare.

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Publication Details

Journal
NMR in Biomedicine
Published
2025-12-23
DOI
https://doi.org/10.1002/nbm.70215
Primary Topic
Advanced MRI Techniques and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Detection Limits of Blood Metabolites at Physiological Concentrations Using Benchtop 1$$ {}^1 $$H NMR

Alexander D. Hill, M Phelan, G. Travish, Carsten Welsch et al.
NMR in Biomedicine
Advanced MRI Techniques and Applications
article

Detection Limits of Blood Metabolites at Physiological Concentrations Using Benchtop 1$$ {}^1 $$H NMR

Alexander D. Hill, M Phelan, G. Travish, Carsten Welsch, Morgan W. Hayward
article en

Abstract

Commercial low-field (LF) magnetic resonance spectroscopy (MRS) offers a route to rapid and repeated in vivo metabolite tracking; however, its sensitivity and interpretability at physiological concentrations remain underexplored. Here, we evaluate the performance of an 80-MHz benchtop nuclear magnetic resonance (NMR) spectrometer (Bruker Fourier 80) across several key blood metabolites at physiological concentrations, ranging between 0.05 and 10.0 mmol/L. We characterise the relationship between metabolite concentration, acquisition time and signal-to-noise ratio (SNR) for multiple pulse sequences and assess how the choice of SNR definition influences reported detection and quantification thresholds. Metabolites present at millimolar levels, such as glucose and lactate, were readily detectable within 20 s, with the water-suppressing wet pulse sequence yielding the highest SNR at fixed acquisition time. Concentration differences were also readily distinguishable. In contrast, submillimolar metabolites such as citrate require over 4 min to reach conventional detection thresholds, constraining their applicability to rapid metabolite tracking via MRS. To address interpretability in low-SNR data, we introduce a template-fitting approach based on simulated standards from CcpNMR AnalysisAssign, which stabilised relative metabolite quantification under low-SNR conditions. These results establish quantitative benchmarks for LF NMR metabolite detection and demonstrate how simulation-assisted analysis can extend its utility. These findings inform both the selection of target metabolites and optimisation strategies for emerging commercial in vivo MRS devices, including the DigiScan<sup>TM</sup> finger-scanner, supporting their development as accessible tools for real-time metabolic tracking in personalised healthcare.

NMR in BiomedicineVol. 39(2)
University of Liverpool (GB), University of Leicester (GB), Cockcroft Institute (GB), Los Alamos Medical Center (US)
UK Research and Innovation, Durham University, Medical Research Council, Science and Technology Facilities Council
Industry, innovation and infrastructure
Openalex Percentile: Top 31%
Advanced MRI Techniques and Applications
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