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DOI10.1016/j.envpol.2017.11.033
Suspect screening and non-targeted analysis of drinking water using point-of-use filters
Newton, Seth R.1; McMahen, Rebecca L.1,2; Sobus, Jon R.1; Mansouri, Kamel2,3,4; Williams, Antony J.3; McEachran, Andrew D.2,3; Strynar, Mark J.1
发表日期2018-03-01
ISSN0269-7491
卷号234页码:297-306
英文摘要

Monitored contaminants in drinking water represent a small portion of the total compounds present, many of which may be relevant to human health. To understand the totality of human exposure to compounds in drinking water, broader monitoring methods are imperative. In an effort to more fully characterize the drinking water exposome, point-of-use water filtration devices (Brita (R) filters) were employed to collect time-integrated drinking water samples in a pilot study of nine North Carolina homes. A suspect screening analysis was performed by matching high resolution mass spectra of unknown features to molecular formulas from EPA's DSSTox database. Candidate compounds with those formulas were retrieved from the EPA's CompTox Chemistry Dashboard, a recently developed data hub for approximately 720,000 compounds. To prioritize compounds into those most relevant for human health, toxicity data from the US federal collaborative Tox21 program and the EPA ToxCast program, as well as exposure estimates from EPA's ExpoCast program, were used in conjunction with sample detection frequency and abundance to calculate a "ToxPi" score for each candidate compound. From similar to 15,000 molecular features in the raw data, 91 candidate compounds were ultimately grouped into the highest priority class for follow up study. Fifteen of these compounds were confirmed using analytical standards including the highest priority compound, 1,2-Benzisothiazolin-3-one, which appeared in 7 out of 9 samples. The majority of the other high priority compounds are not targets of routine monitoring, highlighting major gaps in our understanding of drinking water exposures. General product-use categories from EPA's CPCat database revealed that several of the high priority chemicals are used in industrial processes, indicating the drinking water in central North Carolina may be impacted by local industries. Published by Elsevier Ltd.


英文关键词Drinking water;Exposome;Suspect screening;Non-target analysis;High resolution mass spectrometry
语种英语
WOS记录号WOS:000426225100031
来源期刊ENVIRONMENTAL POLLUTION
来源机构美国环保署
文献类型期刊论文
条目标识符http://gcip.llas.ac.cn/handle/2XKMVOVA/58967
作者单位1.US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27709 USA;
2.Oak Ridge Inst Sci & Educ Res Participant, 109 TW Alexander Dr, Res Triangle Pk, NC 27709 USA;
3.US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27709 USA;
4.Scitovation LLC, Res Triangle Pk, NC 27709 USA
推荐引用方式
GB/T 7714
Newton, Seth R.,McMahen, Rebecca L.,Sobus, Jon R.,et al. Suspect screening and non-targeted analysis of drinking water using point-of-use filters[J]. 美国环保署,2018,234:297-306.
APA Newton, Seth R..,McMahen, Rebecca L..,Sobus, Jon R..,Mansouri, Kamel.,Williams, Antony J..,...&Strynar, Mark J..(2018).Suspect screening and non-targeted analysis of drinking water using point-of-use filters.ENVIRONMENTAL POLLUTION,234,297-306.
MLA Newton, Seth R.,et al."Suspect screening and non-targeted analysis of drinking water using point-of-use filters".ENVIRONMENTAL POLLUTION 234(2018):297-306.
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