Publication Details

Category Text Publication
Reference Category Journals
DOI 10.1016/j.toxlet.2018.05.034
Title (Primary) Suspect and untargeted screening of bisphenol S metabolites produced by in vitro human liver metabolism
Author Gys, C.; Kovačič, A.; Huber, C.; Lai, F.Y.; Heath, E.; Covaci, A.
Source Titel Toxicology Letters
Year 2018
Department WANA
Volume 295
Page From 115
Page To 123
Language englisch
Keywords Bisphenol S; In vitro metabolism; Human liver microsomes; High-resolution mass spectrometry; MZmine; Emerging contaminants
Abstract Bisphenol S (BPS) is increasingly used as substitute for bisphenol A, resulting in higher potential of human exposure to this compound. Yet, information on the human metabolism of BPS is limited. Hence, current biomonitoring studies rely only on the measurement of BPS itself, leading to a potential underestimation of assessing human exposure to this emerging contaminant. The aims of this study were to investigate the in vitro metabolic pathways of BPS using human liver microsomes and cytosol fractions and propose in vitro metabolites for evaluation in pharmacokinetics studies. Liquid chromatography coupled to quadrupole time-of-flight high-resolution mass spectrometry was used for the screening, identification, and structural elucidation of Phase I and II metabolites of BPS for the first time. Metabolite identification was performed using two complementary workflows: suspect and untargeted screening. Two Phase I metabolites were formed through hydroxylation of the phenolic rings. Four Phase II metabolites were formed through conjugation with glucuronic acid or sulfate. Three of these metabolites, namely dihydroxy-BPS, hydroxy-BPS-glucuronide and hydroxy-BPS-sulfate were identified and structurally elucidated for the first time. As such, we provide an expanded set of in vitro biotransformation products of BPS, which can potentially support a reliable assessment of BPS exposure in future biomonitoring studies.
Persistent UFZ Identifier
Gys, C., Kovačič, A., Huber, C., Lai, F.Y., Heath, E., Covaci, A. (2018):
Suspect and untargeted screening of bisphenol S metabolites produced by in vitro human liver metabolism
Toxicol. Lett. 295 , 115 - 123 10.1016/j.toxlet.2018.05.034