Journal
SCIENCE OF THE TOTAL ENVIRONMENT
Volume 668, Issue -, Pages 917-924Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.scitotenv.2019.03.031
Keywords
Particulate matter; WSOCs; Elemental composition; Partitioning; Hydrophobic property; Neutral loss
Categories
Funding
- National Natural Science Foundation of China [91843301, 21622705, 91743101, 21577151, 21461142001]
- Youth Innovation Promotion Association CAS projects
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Water-soluble organic compounds (WSOCs) are a complex mixture of organic components with a variety of chemicals structures that may have significant impacts on the formation process and health hazards of atmospheric fine particles. In this study, the molecular characteristics of WSOCs in PM2.5 were investigated using ultrahigh resolution mass spectrometry. In total 7389 compounds in PM2.5 water extracts were identified, including CHO +/-, CHOS +/-, CHON +/-, CHONS +/-, CH+, CHS+, CHN+ and CHNS+ species. CHO +/- and CHON +/- were the major components in PM2.5 water extracts. S-containing compounds detected in both ionization modes were observed with distinct molecular characteristics. Selective partitioning of WSOCs between PM2.5 water extracts and poly-dimethylsiloxane (PDMS, log D-PDMS = 0.51-3.87) coating phases was found, which was significantly correlated with molecular characteristic ( i.e. double-bond equivalent, number of O and H atoms, O/C ratios, and aromaticity equivalent). The extent of accumulation for negatively charged compounds was generally lower, which related to the existence of polar functional groups, such as hydroxyl, carboxyl, nitrate, and sulfate, as observed by MS/MS fragmentation analysis. (C) 2019 Elsevier B.V. All rights reserved.
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