期刊
ENVIRONMENTAL SCIENCE & TECHNOLOGY
卷 55, 期 8, 页码 4729-4739出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.est.0c06382
关键词
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资金
- National Natural Science Foundation of China [21707132]
- Young Scholar Scientific Research Foundation of the China CDC [2018A201]
- Great Lakes Protection Initiatives (GLPI) from Environment and Climate Change Canada [GCXE19P017]
- National Sciences and Engineering Research Council (NSERC) Discovery Grant
- Canada Foundation for Innovation
- Ontario Research Fund
- NSERC Research Tools and Instrument Grant
The study developed a screening algorithm that successfully detected a large number of halogenated compounds in house dust samples, including previously unrecognized chlorinated azo dyes, highlighting their potential health risks in the indoor environment.
Humans spend 90% of their time indoors, but the majority of indoor pollutants remain unknown. In this study, a nontarget screening algorithm with reduced false discovery rates was developed to screen indoor pollutants using the Toxic Substances Control Act (TSCA) database. First, a putative lock mass algorithm was developed for post-acquisition calibration of Orbitrap mass spectra to sub-ppm mass accuracy. Then, a one-stop screening algorithm was developed by combining MS1 spectra, isotopic peaks, retention time prediction, and in silico MS2 spectra. A sufficient true positive rate (73%) and false discovery rate (5%) were achieved for the screening of halogenated compounds at a score cutoff of 0.28. Above this cutoff, 427 chemicals were detected from 24 house dust samples, including 39 chlorinated compounds. While some identified halogenated compounds (e.g., triclosan) are well known, 18 previously unrecognized chlorinated azo dyes were detected with high abundance as the largest class of chlorinated compounds. Two chlorinated azo dyes were confirmed with authentic standards, but the two most abundant chlorinated azo dyes were missed by the algorithm due to the limited breadth of the TSCA database. These compounds were annotated as chlorinated analogues of Disperse Blue 373 and Disperse Violet 93 using the DIPIC-Frag method. This study revealed the presence of highly abundant chlorinated azo dyes in house dusts, highlighting their potential health risks in the indoor environment.
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