Publication Details

Category Text Publication
Reference Category Journals
DOI 10.1021/acs.est.1c04310
Licence creative commons licence
Title (Primary) Discovery of polar ozonation byproducts via direct injection of effluent organic matter with online LC-FT-ICR-MS
Author Jennings, E.; Kremser, A.; Han, L.; Reemtsma, T.; Lechtenfeld, O.J. ORCID logo
Source Titel Environmental Science & Technology
Year 2022
Department ANA
Volume 56
Issue 3
Page From 1894
Page To 1904
Language englisch
Topic T9 Healthy Planet
Keywords dissolved organic matter, effluent organic matter, ultrahigh resolution mass spectrometry, nontarget UHRMS, FT-ICR-MS, liquid chromatography, ozonation, ozonation byproducts, wastewater treatment
Abstract Effluent organic matter (EfOM), a major ozone consumer during wastewater ozonation, is a complex mixture of natural and anthropogenic organic molecules. Ozonation of EfOM adds to molecular complexity by introducing polar and potentially mobile ozonation byproducts (OBPs). Currently, nontargeted direct infusion (DI) ultrahigh resolution mass spectrometry (e.g. FT-ICR-MS) is used to study OBPs but requires sample extraction, limiting the accessible polarity range of OBPs. To better understand the impact of ozonation on EfOM and the formation of polar OBPs, nonextracted effluent was analyzed by direct injection onto a reversed-phase liquid chromatography system (RP-LC) online hyphenated with an FT-ICR-MS. Over four times more OBPs were detected in nonextracted EfOM compared to effluent extracted with solid phase extraction and measured with DI-FT-ICR-MS (13817 vs 3075). Over 1500 highly oxygenated OBPs were detected exclusively in early eluting fractions of nonextracted EfOM, indicating polar OBPs. Oxygenation of these newly discovered OBPs is higher than previously found, with an average molecular DBE-O value of −3.3 and O/C ratio of 0.84 in the earliest eluting OBP fractions. These polar OBPs are consistently lost during extraction but may play an important role in understanding the environmental impact of ozonated EfOM. Moreover, 316 molecular formulas classified as nonreactive to ozone in DI-FT-ICR-MS can be identified with LC-FT-ICR-MS as isomers with varying degrees of reactivity, providing for the first time experimental evidence of differential reactivity of complex organic matter isomers with ozone.
Persistent UFZ Identifier
Jennings, E., Kremser, A., Han, L., Reemtsma, T., Lechtenfeld, O.J. (2022):
Discovery of polar ozonation byproducts via direct injection of effluent organic matter with online LC-FT-ICR-MS
Environ. Sci. Technol. 56 (3), 1894 - 1904 10.1021/acs.est.1c04310