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).

                                            [
  "020:00"
]
                                        

                                            {
  "fn": "Denise Macmillan",
  "hasEmail": "mailto:macmillan.denise@epa.gov"
}
                                        

                                            [
  {
    "title": "Calculations Sheet.xlsx",
    "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
    "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1529959/Calculations%20Sheet.xlsx"
  },
  {
    "title": "Tables and Figures.pdf",
    "mediaType": "application/pdf",
    "downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1529959/Tables%20and%20Figures.pdf"
  }
]
                                        

                                            [
  "IVIVE",
  "PFAS",
  "PFECA",
  "dosimetry",
  "hepatic clearance",
  "non-targeted analysis",
  "plasma protein binding",
  "thyroid disruption"
]
                                        

                                            [
  "020:000"
]
                                        

                                            {
  "name": "U.S. EPA Office of Research and Development (ORD)",
  "subOrganizationOf": {
    "name": "U.S. Environmental Protection Agency",
    "subOrganizationOf": {
      "name": "U.S. Government"
    }
  }
}
                                        

                                            [
  "https://doi.org/10.3390/toxics11120951",
  "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10747602"
]
                                        

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