ArticleAnalytical chemistry2022
An Untargeted Metabolomics Workflow that Scales to Thousands of Samples for Population-Based Studies.
Article in Analytical chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers, 1 of them a synthesis that pooled it.
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Who cites it
25 citing papers in PubMed, 1 synthesis or guideline pooled it.
- A priori sample size determination and power analysis in metabolic phenotyping and integrative metabolomics: an application framework based on a systematic review of literature.Metabolomics : Official journal of the Metabolomic Society · 2026Pooled it
- Shaping the future of early-onset colorectal cancer prevention.Nature reviews. Cancer · 2026Review
- Article
- Decoding cancer across scales with metabolomics.Nature reviews. Cancer · 2026Review
- Accelerating discovery of cancer causes for prevention in the era of rising early-onset cancers.Cell · 2026Review
- Metabolomic signatures of extreme old age: findings from the New England Centenarian Study.GeroScience · 2026Article
- LCMS-Net: Deep Learning for Raw High Resolution Mass Spectrometry Data Applied to Forensic Cause-of-Death Screening.Analytical chemistry · 2026Article
- Evexomostat (SDX-7320), a methionine aminopeptidase type 2 inhibitor, stimulates weight loss and inhibits obesity-accelerated tumor growth.Frontiers in oncology · 2026Article
- Metabolic Profiling of the EmDia Cohort by LC-MS Reveals Empagliflozin-Intake Associated Regulation of 1,5-anhydroglucitol and Urate.Proteomics · 2026Article
- The role of lipids in the effect of APOE2 on cognitive function: a causal mediation analysis.European journal of epidemiology · 2025Article
- Correction of gas chromatography-mass spectrometry long-term instrumental drift using quality control samples over 155 days.Scientific reports · 2025Article
- METABOLOMIC SIGNATURES OF EXTREME OLD AGE: FINDINGS FROM THE NEW ENGLAND CENTENARIAN STUDY.bioRxiv : the preprint server for biology · 2025Article
- Gene-Embedded Multi-Modal Networks for Population-Scale Multi-Omics Discovery.bioRxiv : the preprint server for biology · 2025Article
- Identification of novel protective loci for executive function using the trail making test part B in the Long Life Family Study.bioRxiv : the preprint server for biology · 2025Article
- [A review and research prospects on the application of the XCMS mass-spectrometry data-processing software in the environmental science field].Se pu = Chinese journal of chromatography · 2025Review
- Article
- Environmental Applications of Mass Spectrometry for Emerging Contaminants.Molecules (Basel, Switzerland) · 2025Review
- Causal mediation analysis of the neuroprotection ofmedRxiv : the preprint server for health sciences · 2025Article
- Effects of Dietary Medium-Chain Triglyceride Supplementation on the Serum Metabolome of Young Adult and Senior Canines.Animals : an open access journal from MDPI · 2024Article
- Metabolite signatures of chronological age, aging, survival, and longevity.Cell reports · 2024Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
The success of precision medicine relies upon collecting data from many individuals at the population level. Although advancing technologies have made such large-scale studies increasingly feasible in some disciplines such as genomics, the standard workflows currently implemented in untargeted metabolomics were developed for small sample numbers and are limited by the processing of liquid chromatography/mass spectrometry data. Here we present an untargeted metabolomics workflow that is designed to support large-scale projects with thousands of biospecimens. Our strategy is to first evaluate a reference sample created by pooling aliquots of biospecimens from the cohort. The reference sample captures the chemical complexity of the biological matrix in a small number of analytical runs, which can subsequently be processed with conventional software such as XCMS. Although this generates thousands of so-called features, most do not correspond to unique compounds from the samples and can be filtered with established informatics tools. The features remaining represent a comprehensive set of biologically relevant reference chemicals that can then be extracted from the entire cohort's raw data on the basis of
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.