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Dataset for Elucidation of the Metabolism of 2,2′,5-Trichlorobiphenyl (PCB18) in Mice Using Fecal Content Screening
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Dataset for Elucidation of the Metabolism of 2,2′,5-Trichlorobiphenyl (PCB18) in Mice Using Fecal Content Screening

Hans-Joachim Lehmler, Sujitha Ravulapalli, Xueshu Li, Youjun Park Suh and Julia Yue Cui
University of Iowa
07/07/2026
DOI: 10.25820/data.008258
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Readme_Elucidation _of_Metabolism_of_PCB188.67 kBDownloadView
README Open Access CC BY V4.0
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0_data_dictionary1.02 kBDownloadView
Data Dictionary Open Access CC BY V4.0
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D01_OPR_recovery591.00 byteDownloadView
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D02_SS_recovery2.39 kBDownloadView
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D03_compound_identifiers4.33 kBDownloadView
Open Access CC BY V4.0

Abstract

Lower-chlorinated PCBs (LC-PCBs), such as 2,2′,5-trichlorobiphenyl (PCB18), represent a current environmental health concern; however, their in vivo metabolic fate remains poorly characterized. In this study, 3-month-old male and female mice were orally exposed to PCB18 (6.0 mg/kg body weight) or vehicle (corn oil) daily for three consecutive days. Fecal samples were collected over 0-72 h and analyzed by liquid chromatography–high-resolution mass spectrometry (LC-HRMS)-based fecal content screening to characterize PCB18 metabolite profiles. Monohydroxylated PCB18 (OH-PCB18) was a major metabolite and served as a key intermediate in forming a diverse mixture of dihydroxylated, sulfated, methoxylated, and methoxylated-dihydroxylated metabolites. A dechlorinated hydroxylated PCB18 metabolite was detected as a minor metabolite. Sex-dependent differences were observed in metabolite profiles, consistent with known sex differences in the expression of xenobiotic-metabolizing enzymes. Overall, this work demonstrates the utility of LC-HRMS-based fecal content screening as an effective approach for elucidating the in vivo metabolism of rapidly cleared LC-PCBs.
PCB 18 Polychlorinated Biphenyls PCB metabolism Sex-dependent Xenobiotic-metabolism

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