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Exploring the Potential of a Global Emerging Contaminant Early Warning Network through the Use of Retrospective Suspect Screening with High-Resolution Mass Spectrometry

机译:通过使用追溯质谱筛查和高分辨率质谱技术探索全球新兴污染物预警网络的潜力

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摘要

A key challenge in the environmental and exposure sciences is to establish experimental evidence of the role of chemical exposure in human and environmental systems. High resolution and accurate tandem mass spectrometry (HRMS) is increasingly being used for the analysis of environmental samples. One lauded benefit of HRMS is the possibility to retrospectively process data for (previously omitted) compounds that has led to the archiving of HRMS data. Archived HRMS data affords the possibility of exploiting historical data to rapidly and effectively establish the temporal and spatial occurrence of newly identified contaminants through retrospective suspect screening. We propose to establish a global emerging contaminant early warning network to rapidly assess the spatial and temporal distribution of contaminants of emerging concern in environmental samples through performing retrospective analysis on HRMS data. The effectiveness of such a network is demonstrated through a pilot study, where eight reference laboratories with available archived HRMS data retrospectively screened data acquired from aqueous environmental samples collected in 14 countries on 3 different continents. The widespread spatial occurrence of several surfactants (e.g., polyethylene glycols (PEGs) and C12AEO-PEGs), transformation products of selected drugs (e.g., gabapentin-lactam, metoprolol-acid, carbamazepine-10-hydroxy, omeprazole-4-hydroxy-sulfide, and 2-benzothiazole-sulfonic-acid), and industrial chemicals (3-nitrobenzenesulfonate and bisphenol-S) was revealed. Obtaining identifications of increased reliability through retrospective suspect screening is challenging, and recommendations for dealing with issues such as broad chromatographic peaks, data acquisition, and sensitivity are provided.
机译:环境和暴露科学中的关键挑战是建立化学暴露在人类和环境系统中的作用的实验证据。高分辨率和精确的串联质谱(HRMS)越来越多地用于环境样品的分析。 HRMS的一个值得称赞的好处是可以追溯处理(以前已省略)化合物的数据,从而导致了HRMS数据的归档。存档的HRMS数据提供了利用历史数据通过追溯可疑筛查快速有效地确定新发现的污染物在时间和空间上发生的可能性。我们建议建立一个全球新兴污染物预警网络,通过对HRMS数据进行回顾性分析,快速评估环境样品中新兴污染物的时空分布。这种网络的有效性通过一项试点研究得到了证明,在该研究中,八个参考实验室拥有可用的HRMS存档数据,对从3个不同大陆的14个国家/地区收集的含水环境样品中获得的数据进行了回顾性筛选。几种表面活性剂(例如聚乙二醇(PEG)和C12AEO-PEG),选定药物的转化产物(例如加巴喷丁-内酰胺,美托洛尔-酸,卡马西平-10-羟基,奥美拉唑-4-羟基硫化物)在空间上的分布广泛揭示了2-苯并噻唑磺酸和工业化学品(3-硝基苯磺酸盐和双酚-S)。通过追溯性可疑筛查获得提高的可靠性的鉴定具有挑战性,并提供了处理诸如宽色谱峰,数据采集和灵敏度等问题的建议。

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  • 来源
    《Environmental Science & Technology》 |2018年第9期|5135-5144|共10页
  • 作者单位

    Laboratory of Analytical Chemistry, Department of Chemistry, University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece,Environmental Institute, s.r.o., Okružná 784/42, 972 41 Koš, Slovak Republic;

    Norwegian Institute for Water Research (NIVA), Gaustadalléen 21, 0349 Oslo, Norway;

    Eawag: Swiss Federal Institute of Aquatic Science and Technology, 8600 Dübendorf, Switzerland,Institute of Biogeochemistry and Pollutant Dynamics, ETH Zürich, 8092 Zürich, Switzerland;

    Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat s, 12071 Castellón de la Plana, Spain;

    Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, 20 Cornwall Street, Woolloongabba, Queensland 4102, Australia;

    Vitens Laboratory, Snekertrekweg 61, 8912 AA Leeuwarden, The Netherlands;

    KWR Watercycle Research Institute, P.O. Box 1072, 3430 BB Nieuwegein, The Netherlands;

    Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, 20 Cornwall Street, Woolloongabba, Queensland 4102, Australia;

    Rijkswaterstaat, Ministry of Infrastructure and the Environment, Zuiderwagenplein 2, 8224 AD Lelystad, The Netherlands;

    Norwegian Institute for Water Research (NIVA), Gaustadalléen 21, 0349 Oslo, Norway;

    Eawag: Swiss Federal Institute of Aquatic Science and Technology, 8600 Dübendorf, Switzerland,Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 7 Avenue des Hauts Fourneaux, L-4362 Esch-sur-Alzette, Luxembourg;

    Environmental Institute, s.r.o., Okružná 784/42, 972 41 Koš, Slovak Republic;

    Laboratory of Analytical Chemistry, Department of Chemistry, University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece;

    Norwegian Institute for Water Research (NIVA), Gaustadalléen 21, 0349 Oslo, Norway,Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, 20 Cornwall Street, Woolloongabba, Queensland 4102, Australia;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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