Prioritizing molecular formulae identified by non-target analysis through high-throughput modelling: application to identify compounds with high human accumulation potential from house dust-Reference-Cited by-同舟云学术

Prioritizing molecular formulae identified by non-target analysis through high-throughput modelling: application to identify compounds with high human accumulation potential from house dust

Published:2023 Issue:11 Volume:25 Page:1817-1829
ISSN:2050-7887
Container-title:Environmental Science: Processes & Impacts
language:en
Short-container-title:Environ. Sci.: Processes Impacts

Author:

Zhang Zhizhen¹²^ORCID,Li Li¹²^ORCID,Peng Hui³^ORCID,Wania Frank¹^ORCID

Affiliation:

1. Department of Physical and Environmental Sciences, University of Toronto Scarborough, 1265 Military Trail, Toronto, Ontario, Canada M1C 1A4

2. School of Public Health, University of Nevada Reno, 1664 N Virginia Street, Reno, Nevada, USA, 89557

3. Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario, Canada M5S 3H4

Abstract

Model calculations for molecular formulae are feasible, if there is a means of assembling collections of plausible isomers. Such calculations can aid in prioritizing chemical features from non-target analysis.

Funder

Environment and Climate Change Canada

Natural Sciences and Engineering Research Council of Canada

Publisher

Royal Society of Chemistry (RSC)

Subject

Management, Monitoring, Policy and Law,Public Health, Environmental and Occupational Health,Environmental Chemistry,General Medicine

Link

http://pubs.rsc.org/en/content/articlepdf/2023/EM/D3EM00317E

Reference52 articles.

1. A method for rapid, non-targeted screening for environmental contaminants in household dust

2. Abundances and concentrations of brominated azo dyes detected in indoor dust

3. Enhanced Nontarget Screening Algorithm Reveals Highly Abundant Chlorinated Azo Dye Compounds in House Dust

4. Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis

5. Non-target and suspect characterisation of organic contaminants in ambient air – Part 1: Combining a novel sample clean-up method with comprehensive two-dimensional gas chromatography

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