180626 Thyroid Hormone PFOA PFOS Manuscript Data. This dataset is associated with the following publication: Selano, J., V. Richardson, J. Washington, and C. Mazur. Characterization of non-radiolabeled Thyroxine (T4) uptake in cryopreserved rat hepatocyte suspensions: Pharmacokinetic implications for PFOA and PFOS chemical exposure. TOXICOLOGY IN VITRO. Elsevier Science Ltd, New York, NY, USA, 58: 230-238, (2019).

180626 Thyroid Hormone PFOA PFOS Manuscript Data. This dataset is associated with the following publication: Selano, J., V. Richardson, J. Washington, and C. Mazur. Characterization of non-radiolabeled Thyroxine (T4) uptake in cryopreserved rat hepatocyte suspensions: Pharmacokinetic implications for PFOA and PFOS chemical exposure. TOXICOLOGY IN VITRO. Elsevier Science Ltd, New York, NY, USA, 58: 230-238, (2019).

Abbreviations and data for manuscript Figures in the main text and supplemental. This dataset is associated with the following publication: Stoker, T., J. Want, A. Murr, J. Bailey, and A.R. Buckalew. High-Throughput Screening of ToxCast PFAS Chemical Library for Potential Inhibitors of the Human Sodium Iodide Symporter. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, USA, 36(3): 380-389, (2023).

We used systematic evidence map methods to summarize the available epidemiological and animal bioassay evidence for an expanded set of ~15,000 PFAS that were identified as PFAS by EPA's Center for Computational Toxicology and Exposure (CCTE). This work is a continuation of our previous 2022 and 2024 SEMs that inventoried evidence on a separate set of ~500 PFAS (Carlson et al, 2022, https://doi.org/10.1289/EHP10343; Radke et al, 2022, https://doi.org/10.1289/EHP11185; Carlson et al., 2024; https://doi.org/10.1289/EHP14191) and a 2023 evidence map on an additional 345 PFAS (Shirke et al. 2024, https://doi.org/10.1289/EHP13423 ). The comprehensive PFAS dashboard includes evidence identified from our past SEMs and completed US EPA assessments. This dataset is associated with the following publication: Shirke, A., E. Radke, R. Jones, B. Allen, C. Lin, A. Ross, N. Vetter, C. Lemeris, p. hartman, S. Eftim, A. Varghese, R. Blain, H. Hubbard, A. Williams, K. Thayer, and L. Carlson. Systematic Evidence Map for the Per- and Polyfluoroalkyl Substances (PFAS) Universe. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 0(0): 1-45, (2025).

Data for individual animals used to create the information demonstrated in Table 1 of the manuscript, including PFESA BP2 serum and liver concentrations and serum clinical chemistry values. This dataset is associated with the following publication: Jenkins-Hill, D., M. Strynar, A. Lindstrom, A. Farthing, H. Huang, J. Schmid, J. Lang, and N. Chernoff. Toxicity of Balb-c mice exposed to recently identified 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethane-1-sulfonic acid (PFESA-BP2). TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 441(152529): 1, (2020).

We used systematic evidence map methods to summarize the available epidemiological and animal bioassay evidence for an expanded set of ~345 PFAS that were prioritized in 2019 by the EPA’s Center for Computational Toxicology and Exposure (CCTE) for in vitro toxicity and toxicokinetic screening. This work builds upon our previously published evidence map for ~150 PFAS chemicals (Carlson et al. 2022, https://doi.org/10.1289/EHP10343). This dataset is associated with the following publication: Shirke, A., E. Radke-Farabaugh, C. Lin, R. Blain, N. Vetter, c. lemeris, p. hartman, H. Hubbard, M. Angrish, X. Arzuaga Andino, J. Congleton, J. Davis, L. Dishaw, R. Jones, R. Judson, J. Kaiser, A. Kraft, L. Lizarraga, P. Noyes, G. Patlewicz, M. Taylor, A. Williams, K. Chialton, and L. Carlson. Expanded Systematic Evidence Map for Hundreds of Per- and Polyfluoroalkyl Substances (PFAS) and Comprehensive PFAS Human Health Dashboard. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 132(2): CID: 026001, (2024).

Data and code for "Grace Patlewicz, Ann M. Richard, Antony J. Williams, Richard S. Judson, Russell S. Thomas, Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing, Computational Toxicology, Volume 24, 2022, 100250, ISSN 2468-1113, https://doi.org/10.1016/j.comtox.2022.100250.". This dataset is associated with the following publication: Patlewicz, G., A. Richard, A. Williams, R. Judson, and R. Thomas. Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing.. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 24: 100250, (2022).

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).

Bioactivity data for p,p'-DDD and analogues from ToxCast assays conducted in liver cells were sourced from the EPA’s CompTox Chemistry Dashboard. The links also provide access to the ToxCast assay information and annotation data user guide. This dataset is associated with the following publication: Lizarraga, L., J. Dean, J. Kaiser, S. Wesselkamper, J. Lambert, and J. Zhao. A Case Study on the Application of An Expert-driven Read-Across Approach in Support of Quantitative Risk Assessment of p,p’-Dichlorodiphenyldichloroethane. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 103: 301-313, (2019).

Bioactivity data for p,p'-DDD and analogues from ToxCast assays conducted in liver cells were sourced from the EPA’s CompTox Chemistry Dashboard. The links also provide access to the ToxCast assay information and annotation data user guide. This dataset is associated with the following publication: Lizarraga, L., J. Dean, J. Kaiser, S. Wesselkamper, J. Lambert, and J. Zhao. A Case Study on the Application of An Expert-driven Read-Across Approach in Support of Quantitative Risk Assessment of p,p’-Dichlorodiphenyldichloroethane. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 103: 301-313, (2019).