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Record W4413637352 · doi:10.1038/s41598-025-12305-y

Quantitative 1H-NMR spectroscopy identifies metabolites and lipoprotein subclasses associated with intermediate phenotypes of chronic diseases in the Japanese Nagahama Study

2025· article· en· W4413637352 on OpenAlexafffund
Huiting Ou, Shuji Kawaguchi, François Brial, Kazuhiro Sonomura, Takahisa Kawaguchi, Andrée E. Gravel, Sanjoy Das, Daniel Auld, Yasuharu Tabara, Bertrand Jean-Claude, Mark Lathrop, Fumihiko Matsuda, Dominique Gauguier

Bibliographic record

VenueScientific Reports · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsMcGill Genome CentreMcGill University Health CentreMcGill University
FundersInstitut National de la Santé et de la Recherche MédicaleMcGill University
KeywordsPhenotypeNuclear magnetic resonance spectroscopyComputational biologyLipoproteinMedicineBioinformaticsBiologyGeneticsChemistryInternal medicineCholesterolGeneStereochemistry

Abstract

fetched live from OpenAlex

Metabolomics is a powerful molecular phenotyping technology which can be used in population studies to identify metabolites underlying disease conditions. To identify plasma biomarkers potentially predicting chronic diseases we applied 1 H nuclear magnetic resonance (NMR) metabolomics using a 600 MHz spectrometer fitted with an In Vitro Diagnostics Research (IVDr) platform to test associations between 18 known metabolites and 111 lipoprotein constituents that could be quantified and passed our quality control procedure and 944 phenotypes determined in 302 healthy participants of the Japanese Nagahama Study. We identified 907 statistically significant associations ( p < 4.11 × 10 –7 ) between 34 phenotypes and at least one metabolite or lipoprotein. Eight metabolites and 109 lipoprotein (sub)classes showed evidence of associations with phenotypes predominantly related to lipid and cholesterol metabolism, liver function, fatness and hematology. We confirmed previously reported associations between plasma trimethylamine-N-oxide (TMAO) and cholesterol, and between the branched-chain amino acids leucine and valine and body mass index (BMI). BMI and fatness were positively associated with components of plasma LDL-4 and VLDL-1 and the ratios of apolipoproteins A1 to B100 and LDL to HDL cholesterol, whereas they were inversely associated with HDL-1 constituents. HDL-1 and LDL-4 subclasses systematically follow the patterns of association of HDL and LDL, respectively, and we propose that these can be examined to improve cardiometabolic risk evaluation. Results from our study exemplify the power of quantitative NMR-based metabolome profiling applied to even relatively small cohorts of healthy individuals extensively characterized for multiple phenotypes underlying unrelated clinical conditions to identify potentially disease-predicting metabolite biomarkers.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: Observational
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.027
Threshold uncertainty score0.054

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0010.000
Scholarly communication0.0010.000
Open science0.0000.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.008
GPT teacher head0.270
Teacher spread0.262 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designObservational
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations1
Published2025
Admission routes2
Has abstractyes

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