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Structural Characterization of Lactone-Containing MW 212 Organosulfates Originating from Isoprene Oxidation in Ambient Fine Aerosol.
Environ Sci Technol. 2020 02 04; 54(3):1415-1424.ES

Abstract

Isoprene (C5H8) is the main non-methane hydrocarbon emitted into the global atmosphere. Despite intense research, atmospheric transformations of isoprene leading to secondary organic aerosol (SOA) are still not fully understood, including its multiphase chemical reactions. Herein, we report on the detailed structural characterization of atmospherically relevant isoprene-derived organosulfates (OSs) with a molecular weight (MW) of 212 (C5H8SO7), which are abundantly present in both ambient fine aerosol (PM2.5) and laboratory-generated isoprene SOA. The results obtained from smog chamber-generated isoprene SOA and aqueous-phase laboratory experiments coupled to the S(IV)-autooxidation chemistry of isoprene, 3-methyl-2(5H)-furanone, and 4-methyl-2(5H)-furanone, allowed us for the first time to fully elucidate the isomeric structures of the MW 212 OSs. By applying liquid chromatography interfaced to electrospray ionization high-resolution mass spectrometry, we firmly confirmed six positional isomers of the MW 212 OSs in PM2.5 collected from different sites in Europe and the United States. Our results also show that despite the low solubility of isoprene in water, aqueous-phase or multiphase chemistry can play an important role in the formation of OSs from isoprene. Possible formation mechanisms for the MW 212 OSs are also tentatively proposed.

Authors+Show Affiliations

Institute of Physical Chemistry , Polish Academy of Sciences , 01-224 Warsaw , Poland. Institute of Organic Chemistry , Polish Academy of Sciences , 01-224 Warsaw , Poland.Institute of Organic Chemistry , Polish Academy of Sciences , 01-224 Warsaw , Poland.Department of Environmental Sciences and Engineering, Gillings School of Global Public Health , University of North Carolina at Chapel Hill , Chapel Hill , North Carolina 27599 , United States.Faculty of Chemistry , University of Warsaw , Pasteura 1 , 02-093 Warsaw , Poland.Institute of Physical Chemistry , Polish Academy of Sciences , 01-224 Warsaw , Poland.Department of Environmental Sciences , University of California Riverside , Riverside , California 92521 , United States.Department of Chemistry , Ghent University , BE 9000 Ghent , Belgium.Institute of Organic Chemistry , Polish Academy of Sciences , 01-224 Warsaw , Poland.Department of Pharmaceutical Sciences , University of Antwerp , BE 2610 Antwerp , Belgium.Institute of Physical Chemistry , Polish Academy of Sciences , 01-224 Warsaw , Poland.

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

31917550

Citation

Wach, Paulina, et al. "Structural Characterization of Lactone-Containing MW 212 Organosulfates Originating From Isoprene Oxidation in Ambient Fine Aerosol." Environmental Science & Technology, vol. 54, no. 3, 2020, pp. 1415-1424.
Wach P, Spólnik G, Surratt JD, et al. Structural Characterization of Lactone-Containing MW 212 Organosulfates Originating from Isoprene Oxidation in Ambient Fine Aerosol. Environ Sci Technol. 2020;54(3):1415-1424.
Wach, P., Spólnik, G., Surratt, J. D., Blaziak, K., Rudzinski, K. J., Lin, Y. H., Maenhaut, W., Danikiewicz, W., Claeys, M., & Szmigielski, R. (2020). Structural Characterization of Lactone-Containing MW 212 Organosulfates Originating from Isoprene Oxidation in Ambient Fine Aerosol. Environmental Science & Technology, 54(3), 1415-1424. https://doi.org/10.1021/acs.est.9b06190
Wach P, et al. Structural Characterization of Lactone-Containing MW 212 Organosulfates Originating From Isoprene Oxidation in Ambient Fine Aerosol. Environ Sci Technol. 2020 02 4;54(3):1415-1424. PubMed PMID: 31917550.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Structural Characterization of Lactone-Containing MW 212 Organosulfates Originating from Isoprene Oxidation in Ambient Fine Aerosol. AU - Wach,Paulina, AU - Spólnik,Grzegorz, AU - Surratt,Jason D, AU - Blaziak,Kacper, AU - Rudzinski,Krzysztof J, AU - Lin,Ying-Hsuan, AU - Maenhaut,Willy, AU - Danikiewicz,Witold, AU - Claeys,Magda, AU - Szmigielski,Rafal, Y1 - 2020/01/22/ PY - 2020/1/10/pubmed PY - 2020/3/17/medline PY - 2020/1/10/entrez SP - 1415 EP - 1424 JF - Environmental science & technology JO - Environ Sci Technol VL - 54 IS - 3 N2 - Isoprene (C5H8) is the main non-methane hydrocarbon emitted into the global atmosphere. Despite intense research, atmospheric transformations of isoprene leading to secondary organic aerosol (SOA) are still not fully understood, including its multiphase chemical reactions. Herein, we report on the detailed structural characterization of atmospherically relevant isoprene-derived organosulfates (OSs) with a molecular weight (MW) of 212 (C5H8SO7), which are abundantly present in both ambient fine aerosol (PM2.5) and laboratory-generated isoprene SOA. The results obtained from smog chamber-generated isoprene SOA and aqueous-phase laboratory experiments coupled to the S(IV)-autooxidation chemistry of isoprene, 3-methyl-2(5H)-furanone, and 4-methyl-2(5H)-furanone, allowed us for the first time to fully elucidate the isomeric structures of the MW 212 OSs. By applying liquid chromatography interfaced to electrospray ionization high-resolution mass spectrometry, we firmly confirmed six positional isomers of the MW 212 OSs in PM2.5 collected from different sites in Europe and the United States. Our results also show that despite the low solubility of isoprene in water, aqueous-phase or multiphase chemistry can play an important role in the formation of OSs from isoprene. Possible formation mechanisms for the MW 212 OSs are also tentatively proposed. SN - 1520-5851 UR - https://www.unboundmedicine.com/medline/citation/31917550/Structural_Characterization_of_Lactone_Containing_MW_212_Organosulfates_Originating_from_Isoprene_Oxidation_in_Ambient_Fine_Aerosol_ L2 - https://doi.org/10.1021/acs.est.9b06190 DB - PRIME DP - Unbound Medicine ER -