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Design of experiments-driven optimization of dual ultra-high-performance liquid chromatography high resolution mass spectrometry for integrated fecal metabolomics and lipidomics

delete2026-08-06
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OA
AI
T
Tiffany De Troyer
K
Kimberly De Windt
B
Beata Pomian
E
Ellen De Paepe
V
Vera Plekhova
L
Lynn Vanhaecke *
DOI:10.1016/j.aca.2026.346087delete
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Abstract

Abstract

En 中文
• Dual column UHPLC-HRMS platform integrates fecal metabolomics and lipidomics in a single workflow. • Multivariate DoE optimization of 13 key LC-MS parameters under dual-operation constraints. • Systematic evaluation of interaction effects beyond one-factor-at-a-time approaches. • 21% shorter analysis time while maintaining or slightly improving targeted compound and untargeted feature detection. • Statistically guided framework for harmonized dual-column LC-MS method development.
Keywords:
Analytical method development
Integrated multi-omics
Stool
Gut phenotyping
Statistical design
Small molecules

Journal

Analytica Chimica Acta cover
Analytica Chimica Acta
IF:
6
Papers:
3.3W
Citations:
6.1W

Organization

L
Laboratory of Integrative Metabolomics
Scholars:
10
Papers: 2
Citations: 0
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