Dose Response, Dosimetric, and Metabolic Evaluations of Replacement PFAS Perfluoro-(2,5,8-trimethyl-3,6,9-trioxadodecanoic) Acid (HFPO-TeA)

The supporting information can be downloaded at: https://www.mdpi.com/article/10.3390/toxics11120951/s1. Text S1: Chemicals; Text S2: Thyroid Hormone Chemicals and Analysis; Text S3: In Vivo Statistics; Text S4: Plasma Dosimetry Chemicals, Materials, and Analysis; Text S5: Normalization of Dosimetry Data Calculations; Text S6: Liver Dosimetry Chemicals, Materials, and Analysis; Text S7: Liver-to-Plasma Partitioning Calculations; Text S8: Non-Targeted Analysis Method and Data Processing; Text S9: Hepatocyte Metabolic Stability Assay Materials, Chemicals, and Calculations; Text S10: Plasma Protein Binding Materials, Chemicals, Assay Design, and Calculations; Text S11: In Vitro–In Vivo Extrapolation (IVIVE) Calculations. Table S1: Data processing parameters used with Sciex OS 3.0; Table S2: Data processing parameters used with Sciex MarkerView 1.3.1; Table S3: Chemical identification, vendor, purity, and experiment usage for all analytes and internal standards; Table S4: Mobile phase gradient for targeted analysis of thyroid hormones in plasma on a Sciex 6500+ QTRAP. Both mobile phases contained 0.1% formic acid as an additive; Table S5: Various instrument conditions for plasma thyroid hormone quantitation on a Sciex 6500+ QTRAP; Table S6: Monitored transitions for analysis of thyroid hormones and 13C-labeled internal standards on a Sciex 6500+ QTRAP. All ions were acquired in positive ion mode; Table S7: Mobile phase gradient for targeted analysis of HFPO-TeA on a Sciex X500R QTOF/MS. Both mobile phases contained ammonium formate (4 mM) as an additive; Table S8: Various instrument conditions for sample analysis on a Sciex X500R QTOF/MS; Table S9: Monitored transitions for analysis of HFPO-TeA using PFHxDA as an internal standard on a Sciex X500R QTOF/MS. The ion of m/z 350.97 is the in-source fragment formed from the HFPO-TeA molecular ion of m/z 660.97. All ions were acquired in negative ion mode; Table S10: Mobile phase gradient for non-targeted analysis on a Sciex X500R QTOF/MS. Ammonium formate (4 mM) was present in both mobile phases as an additive; Table S11: Mobile phase gradient for targeted analysis of HFPO-TeA on a Waters Xevo-TQS. Both mobile phases contained the additive ammonium acetate (2.5 mM); Table S12: Various instrument conditions for hepatocyte clearance and protein plasma binding assays on a Waters Xevo-TQS; Table S13: Monitored transitions for analysis of the in vitro analytes using a Waters Xevo-TQS; Table S14: Individual body weights, absolute liver weights, and relative liver weights for all rats after 5 days of exposure; Table S15: Individual concentrations for plasma T3, rT3, and T4 in all rats after 5 days of exposure to HFPO-TeA. N/A = Calculation not completed due the majority of samples being below the LOQ; Table S16: Individual HFPO-TeA plasma and plasma extract concentrations for all rats after 2 h of exposure... 

This dataset is associated with the following publication:
Renyer, A., K. Ravindra, B. Wetmore, J. Ford, M. Devito, M. Hughes, L. Wehmas, and D. Macmillan. Dose Response, Dosimetric, and Metabolic Evaluations of Replacement PFAS Perfluoro-(2,5,8-trimethyl-3,6,9-trioxadodecanoic) Acid (HFPO-TeA).   Toxics. MDPI, Basel,  SWITZERLAND, 11(12): 951, (2023).

Tags: dosimetry, hepatic-clearance, ivive, non-targeted-analysis, pfas, pfeca, plasma-protein-binding, thyroid-disruption
Organization: U.S. Environmental Protection Agency