Precision High-Throughput Proton NMR Spectroscopy of Human Urine, Serum, and Plasma for Large-Scale Metabolic Phenotyping
Abstract
Proton nuclear magnetic resonance (NMR)-based metabolic phenotyping of urine and blood plasma/serum samples provides important prognostic and diagnostic information and permits monitoring of disease progression in an objective manner. Much effort has been made in recent years to develop NMR instrumentation and technology to allow the acquisition of data in an effective, reproducible, and high-throughput approach that allows the study of general population samples from epidemiological collections for biomarkers of disease risk. The challenge remains to develop highly reproducible methods and standardized protocols that minimize technical or experimental bias, allowing realistic interlaboratory comparisons of subtle biomarker information. Here we present a detailed set of updated protocols that carefully consider major experimental conditions, including sample preparation, spectrometer parameters, NMR pulse sequences, throughput, reproducibility, quality control, and resolution. These results provide an experimental platform that facilitates NMR spectroscopy usage across different large cohorts of biofluid samples, enabling integration of global metabolic profiling that is a prerequisite for personalized healthcare.
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All reported p values were corrected for multiple comparisons using the Benjamini-Hochberg false discovery rate method.
“All presented p values were corrected for multiple comparisons using the Benjamini-Hochberg False Discovery Rate (pFDR) method.[47]”
From The microbiome of professional athletes differs from that of more sedentary subjects in composition and particularly at the functional metabolic level (2018) · cites this paper as [47]
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- Authors
- Dona, A. C., Jiménez, B., Schäfer, H., Humpfer, E., Spraul, M., Lewis, M. R., Pearce, J. T. M., Holmes, E., Lindon, J. C., & Nicholson, J. K.
- Affiliations
- Hammersmith Hospital (GB)
- St Mary's Hospital (GB)
- Bruker (Germany) (DE)
- Imperial College London (GB)
- Corresponding author
- Nicholson, Jeremy K.
- ORCID
- Venue
- Analytical Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-09-16
- Volume
- 86
- Issue
- 19
- Pages
- 9887-9894
- ISSN
- 0003-2700 (ISSN-L)
- 1520-6882
- OpenAlex
- W2069637401
- Cited by
- 540
- References
- 47
- Citations by year
- 2026: 46 · 2025: 42 · 2024: 43 · 2023: 64 · 2022: 49 · 2021: 52 · 2020: 51 · 2019: 43 · 2018: 47 · 2017: 37 · 2016: 44 · 2015: 20 · 2014: 1
- FWCI
- 13.86
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Analytical Chemistry (publishedVersion)
- PubMed (publishedVersion)
- Funders
- Waters Corporation
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
- Physical Sciences › Chemistry › Spectroscopy › Advanced NMR Techniques and Applications
- Health Sciences › Medicine › Radiology, Nuclear Medicine and Imaging › Advanced MRI Techniques and Applications
- Keywords
- 1H NMR, high-throughput NMR, metabolic phenotyping, human urine, serum, plasma, biomarkers, disease risk, experimental protocol standardization, reproducibility, interlaboratory comparison, biological fluids, quality control, personalized healthcare
- MeSH terms
- Humans, Magnetic Resonance Spectroscopy, Protons, Quality Control, Specimen Handling, Reproducibility of Results, Biomarkers, Metabolomics, Metabolome
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