ArticleMetabolomics : Official journal of the Metabolomic Society2024
Comparison of reversed-phase, hydrophilic interaction, and porous graphitic carbon chromatography columns for an untargeted toxicometabolomics study in pooled human liver microsomes, rat urine, and rat plasma.
Article in Metabolomics : Official journal of the Metabolomic Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed, 11 citations in OpenAlex.
- Sub-3 μm porous graphitic carbon for highly polar metabolomics: orthogonal selectivity and comparison with HILIC and reversed-phase chromatography.Analytical and bioanalytical chemistry · 2026Article
- Investigating Variability in Metabolomics: A Comparative Study of Analytical Platforms and Blood Matrices Using HPLC-HRMS.Molecules (Basel, Switzerland) · 2026Article
- Article
- Optimizing multiomics sample preparation: comparative evaluation of extraction protocols for HepG2 cells.Analytical and bioanalytical chemistry · 2026Article
- Comparative evaluation of reversed-phase and hydrophilic interaction liquid chromatography columns for untargeted profiling of bioactive compounds in Hypericum perforatum.Analytical and bioanalytical chemistry · 2026Article
- Separative Techniques Coupled to Mass Spectrometry for Metabolomic Analysis.Advances in experimental medicine and biology · 2026Review
- Metabolomics of HIV in the Modern cART Era.Advances in experimental medicine and biology · 2026Review
- Chemical characteristics vectors map the chemical space of natural biomes from untargeted mass spectrometry data.Journal of cheminformatics · 2025Article
- Multiomics-Based Profiling of the Fecal Microbiome Reveals Potential Disease-Specific Signatures in Pediatric IBD (PIBD).Biomolecules · 2025Article
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
introductionUntargeted metabolomics studies are expected to cover a wide range of compound classes with high chemical diversity and complexity. Thus, optimizing (pre-)analytical parameters such as the analytical liquid chromatography (LC) column is crucial and the selection of the column depends primarily on the study purpose.
objectivesThe current investigation aimed to compare six different analytical columns. First, by comparing the chromatographic resolution of selected compounds. Second, on the outcome of an untargeted toxicometabolomics study using pooled human liver microsomes (pHLM), rat plasma, and rat urine as matrices.
methodsSeparation and analysis were performed using three different reversed-phase (Phenyl-Hexyl, BEH C
resultsAll three reversed-phase columns showed a similar performance, whereas the PGC column was superior to both HILIC columns at least for polar compounds. Comparing the size of feature count across all datasets, most features were detected using the Phenyl-Hexyl or sulfobetaine column. Considering the matrices, most significant features were detected in urine and pHLM after using the sulfobetaine and in plasma after using the ammonium-sulfonic acid column.
conclusionThe results underline that the outcome of this untargeted toxicometabolomic study LC-HRMS metabolomic study was highly influenced by the analytical column, with the Phenyl-Hexyl or sulfobetaine column being the most suitable. However, column selection may also depend on the investigated compounds as well as on the investigated matrix.
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