Details zur Publikation

Kategorie Textpublikation
Referenztyp Zeitschriften
DOI 10.1016/j.toxlet.2018.05.034
Titel (primär) Suspect and untargeted screening of bisphenol S metabolites produced by in vitro human liver metabolism
Autor Gys, C.; Kovačič, A.; Huber, C.; Lai, F.Y.; Heath, E.; Covaci, A.
Quelle Toxicology Letters
Erscheinungsjahr 2018
Department WANA
Band/Volume 295
Seite von 115
Seite bis 123
Sprache 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.
dauerhafte UFZ-Verlinkung https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=20819
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