Details zur Publikation

Kategorie Textpublikation
Referenztyp Zeitschriften
DOI 10.1016/j.watres.2022.119477
Lizenz creative commons licence
Titel (primär) Stable isotope labeling for detection of ozonation byproducts in effluent organic matter with FT-ICR-MS
Autor Jennings, E.K.; Sierra Olea, M.; Kaesler, J.M.; Hübner, U.; Reemtsma, T.; Lechtenfeld, O.J. ORCID logo
Quelle Water Research
Erscheinungsjahr 2023
Department ANA
Band/Volume 229
Seite von art. 119477
Sprache englisch
Topic T9 Healthy Planet
Keywords ultrahigh-resolution mass spectrometry; wastewater treatment; dissolved organic matter; transformation byproducts
UFZ Querschnittsthemen ProVIS;
Abstract Despite effluent organic matter (EfOM) being a major consumer of ozone during wastewater treatment, little is known about ozonation byproducts (OBPs) produced from EfOM. To unambiguously identify OBPs, heavy ozone was used to ozonate EfOM, resulting in 18O labeled and unlabeled OBPs. Labeled OBPs mostly represent a single 18O transfer and were classified as either direct or indirect OBPs based on the 18O/16O intensity ratios of the isotopologues. Of the 929 labeled OBPs, 84 were unequivocally classified as direct OBPs. The remainder suggest a major contribution by indirect, hydroxyl radical induced formation of OBPs in EfOM. Overall, labelled OBPs possess a low degree of unsaturation and contributed most to OBP peak intensity – marking them as potential end products. A few direct and indirect OBPs with high peak intensity containing 18O and heteroatoms (N, S) were fragmented with CID FT-ICR-MS/MS and screened for indicative neutral losses carrying heavy oxygen. The neutral loss screening was used to detect the 18O location on the OBP and indicate the original functional group in EfOM based on known reaction mechanisms. We identified sulfoxide and sulfonic acid functional groups in selected OBPs – implying the presence of reduced sulfur in EfOM molecules – while no evidence for nitrogen containing functional groups reacting with ozone was found.
dauerhafte UFZ-Verlinkung
Jennings, E.K., Sierra Olea, M., Kaesler, J.M., Hübner, U., Reemtsma, T., Lechtenfeld, O.J. (2023):
Stable isotope labeling for detection of ozonation byproducts in effluent organic matter with FT-ICR-MS
Water Res. 229 , art. 119477 10.1016/j.watres.2022.119477