{"accessLevel": "public", "bureauCode": ["020:00"], "contactPoint": {"fn": "Denise Macmillan", "hasEmail": "mailto:macmillan.denise@epa.gov"}, "description": "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\u2013In 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... \n\nThis dataset is associated with the following publication:\nRenyer, 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).", "distribution": [{"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1529959/Calculations%20Sheet.xlsx", "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet", "title": "Calculations Sheet.xlsx"}, {"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1529959/Tables%20and%20Figures.pdf", "mediaType": "application/pdf", "title": "Tables and Figures.pdf"}], "identifier": "https://doi.org/10.23719/1529959", "keyword": ["IVIVE", "PFAS", "PFECA", "dosimetry", "hepatic clearance", "non-targeted analysis", "plasma protein binding", "thyroid disruption"], "license": "https://pasteur.epa.gov/license/sciencehub-license.html", "modified": "2023-11-18", "programCode": ["020:000"], "publisher": {"name": "U.S. EPA Office of Research and Development (ORD)", "subOrganizationOf": {"name": "U.S. Environmental Protection Agency", "subOrganizationOf": {"name": "U.S. Government"}}}, "references": ["https://doi.org/10.3390/toxics11120951", "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10747602"], "rights": null, "title": "Dose Response, Dosimetric, and Metabolic Evaluations of Replacement PFAS Perfluoro-(2,5,8-trimethyl-3,6,9-trioxadodecanoic) Acid (HFPO-TeA)"}