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Not One Method to Rule Them All: A Comparative Study of Chromatographic Platforms (RP-LC-, HILIC-, SFC-, and IC-HRMS) for Water Analysis.

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Názov: Not One Method to Rule Them All: A Comparative Study of Chromatographic Platforms (RP-LC-, HILIC-, SFC-, and IC-HRMS) for Water Analysis.
Autori: Zweigle J; Analytical Chemistry Group, Department of Plant and Environmental Science, Faculty of Science, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg C, Denmark., Schlüsener M; Federal Institute of Hydrology (BfG), Am Mainzer Tor 1, 56068 Koblenz, Germany., Flottmann J; Laboratory for Operation Control and Research, Zweckverband Landeswasserversorgung, Am Spitzigen Berg 1, 89129 Langenau, Germany., Bader T; Laboratory for Operation Control and Research, Zweckverband Landeswasserversorgung, Am Spitzigen Berg 1, 89129 Langenau, Germany., Vidkjær NH; Geological Survey of Denmark and Greenland (GEUS), Øster Voldgade 10, 1350 Copenhagen, Denmark., Bollmann UE; Geological Survey of Denmark and Greenland (GEUS), Øster Voldgade 10, 1350 Copenhagen, Denmark., Christensen JH; Analytical Chemistry Group, Department of Plant and Environmental Science, Faculty of Science, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg C, Denmark., Tisler S; Analytical Chemistry Group, Department of Plant and Environmental Science, Faculty of Science, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg C, Denmark.
Zdroj: Analytical chemistry [Anal Chem] 2025 Nov 18; Vol. 97 (45), pp. 25099-25110. Date of Electronic Publication: 2025 Nov 06.
Spôsob vydávania: Journal Article
Jazyk: English
Informácie o časopise: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0370536 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6882 (Electronic) Linking ISSN: 00032700 NLM ISO Abbreviation: Anal Chem Subsets: PubMed not MEDLINE; MEDLINE
Imprint Name(s): Original Publication: Washington, American Chemical Society.
Abstrakt: Reversed-phase liquid chromatography coupled to high-resolution mass spectrometry (RP-LC-HRMS) is the standard for nontarget screening (NTS) of environmental samples but lacks retention of highly polar contaminants. We compared 12 chromatographic methods across four platforms, RP-LC, anion chromatography (IC), supercritical fluid chromatography (SFC), and hydrophilic interaction chromatography (HILIC), using 127 environmentally relevant compounds (log DpH7.4 -5.6 to 6.6). Compounds were analyzed in solvent and for a polar subset, in groundwater enriched by vacuum evaporation. Data were collected across four laboratories using 5 RP-LC-, 3 HILIC-, 2 SFC-, and 2 IC-HRMS setups. Feature detection with standard tools yielded more false negatives for SFC and IC. To enable a fair and method-agnostic comparison, an extracted ion chromatogram (EIC)-based workflow was used. Of the 127 compounds, 125 were detected by at least one platform. For log DpH7.4 > 0, RP-LC covered ∼90%, followed by SFC (∼70%), while IC and HILIC each covered <30%. For very polar compounds (log DpH7.4 < 0), coverage dropped across all platforms. SFC and HILIC detected up to 60% of polar analytes; IC performed better in negative ionization mode, consistent with anion-exchange separation. Detection frequency declined with polarity, reflecting analytical limitations. Combining RP-LC with either SFC or HILIC increased coverage to 94%. In spiked groundwater, coverage was lower (73%) due to matrix effects and losses during vacuum enrichment. Peak widths were narrowest for SFC (∼2.5 s) and RP-LC (∼4 s) and broadest for HILIC (∼7 s) and IC (∼17 s). Retention times showed limited cross-platform correlation while ionization efficiency was consistent, except for SFC. As no single method provided full coverage, combining RP-LC with one complementary platform (SFC, HILIC, or IC) is required to extend chemical space in environmental NTS.
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Entry Date(s): Date Created: 20251106 Latest Revision: 20251123
Update Code: 20251123
PubMed Central ID: PMC12631722
DOI: 10.1021/acs.analchem.5c04114
PMID: 41198048
Databáza: MEDLINE
Popis
Abstrakt:Reversed-phase liquid chromatography coupled to high-resolution mass spectrometry (RP-LC-HRMS) is the standard for nontarget screening (NTS) of environmental samples but lacks retention of highly polar contaminants. We compared 12 chromatographic methods across four platforms, RP-LC, anion chromatography (IC), supercritical fluid chromatography (SFC), and hydrophilic interaction chromatography (HILIC), using 127 environmentally relevant compounds (log D<subscript>pH7.4</subscript> -5.6 to 6.6). Compounds were analyzed in solvent and for a polar subset, in groundwater enriched by vacuum evaporation. Data were collected across four laboratories using 5 RP-LC-, 3 HILIC-, 2 SFC-, and 2 IC-HRMS setups. Feature detection with standard tools yielded more false negatives for SFC and IC. To enable a fair and method-agnostic comparison, an extracted ion chromatogram (EIC)-based workflow was used. Of the 127 compounds, 125 were detected by at least one platform. For log D<subscript>pH7.4</subscript> &gt; 0, RP-LC covered ∼90%, followed by SFC (∼70%), while IC and HILIC each covered &lt;30%. For very polar compounds (log D<subscript>pH7.4</subscript> &lt; 0), coverage dropped across all platforms. SFC and HILIC detected up to 60% of polar analytes; IC performed better in negative ionization mode, consistent with anion-exchange separation. Detection frequency declined with polarity, reflecting analytical limitations. Combining RP-LC with either SFC or HILIC increased coverage to 94%. In spiked groundwater, coverage was lower (73%) due to matrix effects and losses during vacuum enrichment. Peak widths were narrowest for SFC (∼2.5 s) and RP-LC (∼4 s) and broadest for HILIC (∼7 s) and IC (∼17 s). Retention times showed limited cross-platform correlation while ionization efficiency was consistent, except for SFC. As no single method provided full coverage, combining RP-LC with one complementary platform (SFC, HILIC, or IC) is required to extend chemical space in environmental NTS.
ISSN:1520-6882
DOI:10.1021/acs.analchem.5c04114