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Record W4410254232 · doi:10.1007/s11306-025-02259-7

Recommendations for sample selection, collection and preparation for NMR-based metabolomics studies of blood

2025· review· en· W4410254232 on OpenAlexaff
Abdul‐Hamid Emwas, Helena U. Zacharias, Marcos Rodrigo Alborghetti, G. A. Nagana Gowda, Daniel Raftery, Ryan T. McKay, Chung‐ke Chang, Edoardo Saccenti, Wolfram Gronwald, Sven Schuchardt, Roland Leiminger, Jasmeen S. Merzaban, Nour Yaseen Rabah Madhoun, Mazhar Iqbal, Rawiah Alsiary, Rupali Shivapurkar, Arnab Pain, Dhanasekaran Shanmugam, Danielle Ryan, Raja Roy, Horst Joachim Schirra, Vanessa Morris, Ana Carolina de Mattos Zeri, Fatimah Alahmari, Rima Kaddurah‐Daouk, Reza M. Salek, Marcia LeVatte, Mark Berjanskii, Bryan Lee, David S. Wishart

Bibliographic record

VenueMetabolomics · 2025
Typereview
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsUniversity of Alberta
FundersKing Abdullah University of Science and TechnologyBundesministerium für Bildung und Forschung
KeywordsMetabolomicsConfoundingMetabolomeMedicineComputational biologyPsychological interventionBioinformaticsBiologyInternal medicine

Abstract

fetched live from OpenAlex

BACKGROUND: Metabolic profiling of blood metabolites, particularly in plasma and serum, is vital for studying human diseases, human conditions, drug interventions and toxicology. The clinical significance of blood arises from its close ties to all human cells and facile accessibility. However, patient-specific variables such as age, sex, diet, lifestyle and health status, along with pre-analytical conditions (sample handling, storage, etc.), can significantly affect metabolomic measurements in whole blood, plasma, or serum studies. These factors, referred to as confounders, must be mitigated to reveal genuine metabolic changes due to illness or intervention onset. REVIEW OBJECTIVE: This review aims to aid metabolomics researchers in collecting reliable, standardized datasets for NMR-based blood (whole/serum/plasma) metabolomics. The goal is to reduce the impact of confounding factors and enhance inter-laboratory comparability, enabling more meaningful outcomes in metabolomics studies. KEY CONCEPTS: This review outlines the main factors affecting blood metabolite levels and offers practical suggestions for what to measure and expect, how to mitigate confounding factors, how to properly prepare, handle and store blood, plasma and serum biosamples and how to report data in targeted NMR-based metabolomics studies of blood, plasma and serum.

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)0.015
metaresearch head score (Gemma)0.029
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch
Consensus categoriesnone
DomainCandidate signal: Methods · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Review · Consensus signal: Review
Teacher disagreement score0.985
Threshold uncertainty score0.078

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0150.029
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0030.003
Bibliometrics0.0050.003
Science and technology studies0.0010.001
Scholarly communication0.0020.003
Open science0.0030.001
Research integrity0.0040.003
Insufficient payload (model declined to judge)0.0190.018

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 head0.059
GPT teacher head0.374
Teacher spread0.315 · 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.

Study designNot applicable
DomainMethods
GenreReview

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

Citations28
Published2025
Admission routes1
Has abstractyes

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