ArticleACS measurement science au2026
A Two-Step Prioritization Framework for the Nontargeted LC-HRMS Analysis of Chemicals of Environmental Concern and Byproducts during Drinking Water Production.
Article in ACS measurement science au, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The growing occurrence of chemicals of environmental concern (CECs) in surface and drinking water requires advanced analytical approaches capable of covering the broad chemical space of known and unknown contaminants potentially present in these matrices. Nontargeted analysis (NTA) based on liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) is gaining popularity as it is virtually comprehensive and may provide high data quality. However, NTA has some limitations in terms of sensitivity, which may limit its effectiveness, and offline prioritization processes are usually adopted to bring out the desired features from the vast array of NTA signals. A novel LC-HRMS-based two-stage prioritization framework is proposed to evaluate the combined chemical load by dissolved organic matter and CECs in a drinking water treatment plant (DWTP). For the first time, an experimental design (DoE) approach is adopted to optimize LC-HRMS acquisition parameters for the online prioritization of features responsible for the combined chemical load in the investigated samples. DoE was performed on a training set of 42 regulated CECs, characterized by a wide chemical coverage (e.g., log
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