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Wide-scope screening of polar contaminants of concern in water: A critical review of liquid chromatography-high resolution mass spectrometry-based strategies

Menger, Frank and Gago-Ferrero, Pablo and Wiberg, Karin and Ahrens, Lutz (2020). Wide-scope screening of polar contaminants of concern in water: A critical review of liquid chromatography-high resolution mass spectrometry-based strategies. Trends in Environmental Analytical Chemistry. 28 , e00102
[Article Review/Survey]

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Abstract

The number of chemicals with potential to reach the environment is still largely unknown, which poses great challenges for both environmental scientists and analytical chemists. Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is currently the instrumentation of choice for identification of wide-scope polar chemicals of concern (CECs) in water. This review critically evaluates all steps involved in screening for polar CECs in water, including sampling and extraction, analysis by LC-HRMS, data (pre-)treatment, evaluation and reporting. Passive samplers and direct injection, in combination with LC-HRMS, provide new opportunities compared with conventional grab water sampling, as do instrumental advances such as ion-mobility spectrometry coupled to HRMS (IM-HRMS). In this paper, we argue that target, suspect and non-target screening should not be viewed as three separate principles, but rather as conceptual approaches to general data treatment strategies that can be linked together. Due to the large amount of data generated, smart prioritisation strategies are needed, in particular for non-target screening, to reduce complexity and focus on data of high interest. We critically evaluate existing strategies and consider that each prioritisation step will result in data loss (as any other step in a screening study), requiring compromises depending on the research question to be tackled. Many different data treatment strategies have been developed in recent years, but structure elucidation remains a challenging and time-consuming task. We discuss current and potential future trends, e.g. effect-based methods that can be used as future prioritisation tools, technological advances like IM-HRMS and improved software solutions that can enable new data treatment strategies.

Authors/Creators:Menger, Frank and Gago-Ferrero, Pablo and Wiberg, Karin and Ahrens, Lutz
Title:Wide-scope screening of polar contaminants of concern in water: A critical review of liquid chromatography-high resolution mass spectrometry-based strategies
Year of publishing :2020
Volume:28
Article number:e00102
Number of Pages:11
Language:English
Publication Type:Article Review/Survey
Article category:Scientific peer reviewed
Version:Published version
Copyright:Creative Commons: Attribution 4.0
Full Text Status:Public
Subjects:(A) Swedish standard research categories 2011 > 1 Natural sciences > 104 Chemical Sciences > Analytical Chemistry
(A) Swedish standard research categories 2011 > 1 Natural sciences > 104 Chemical Sciences > Organic Chemistry
Keywords:aquatic environment, organic, emerging micropollutant, non-target screening, suspect screening, LCHRMS, water analysis
URN:NBN:urn:nbn:se:slu:epsilon-p-108814
Permanent URL:
http://urn.kb.se/resolve?urn=urn:nbn:se:slu:epsilon-p-108814
Additional ID:
Type of IDID
DOI10.1016/j.teac.2020.e00102
ID Code:18820
Faculty:NJ - Fakulteten för naturresurser och jordbruksvetenskap
Department:(NL, NJ) > Dept. of Aquatic Sciences and Assessment
Deposited By: SLUpub Connector
Deposited On:27 Nov 2020 10:43
Metadata Last Modified:15 Jan 2021 19:27

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