Supplementary materials for "Non-Targeted Analysis (NTA) of Plasma and Liver from Sprague Dawley Rats Exposed to Perfluorohexanesulfonamide (PFHxSA), a Precursor to Perfluorohexane Sulfonic Acid (PFHxS)"

Study reports for "Subchronic Toxicities of Four Per- and Polyfluoroalkyl Substances (PFASs) by Oral Exposure in Sprague–Dawley Rats". This dataset is associated with the following publication: Kenyon, E., M. Devito, G. Patlewicz, L. Adams, R. Thomas, J. Ambroso, X. Yang, J. Blake, B. Upadhyay, J. Furr, and M. Hughes. Subchronic Toxicities of Four Per- and Polyfluoroalkyl Substances (PFASs) by Oral Exposure in Sprague–Dawley Rats. Toxics. MDPI, Basel, SWITZERLAND, 13(7): 524, (2025).

Current studies on nontarget analysis and toxicities of PFASs are disconnected, due to the challenges posed by the large numbers (>1,000) and diverse structures of PFASs. The SECC method provides a high-throughput experimental way to tackle the challenge of prioritizing PFASs according to key proteins, especially when their authentic standards are not available. While this study is focused on hL-FABP due to its critical role in regulating the toxicokinetics of PFASs, the protein-centric method could also be adapted to screen PFASs binding to other key proteins, such as PPARs. Computational toxicology is the predominant strategy for high-throughput predictions of toxicities of chemical contaminants. This dataset is not publicly accessible because: Data generated and owned by external academic lab with chemicals provided by the EPA under an MTA. EPA's contribution was assisting in manuscript writing. It can be accessed through the following means: Contact the Corresponding author: Hui Peng, e-mail: hui.peng@utoronto.ca, Department of Chemistry, University of Toronto, Toronto, Ontario, M5S3H6, Canada. Format: Not available. This dataset is associated with the following publication: Yang, D., J. Han, D. Ross Hall, J. Sun, J. Fu, S. Kutarna, K. Houck, C. LaLone, J. Doering, C. Ng, and H. Peng. Nontarget Screening of Per- and Polyfluoroalkyl Substances Binding to Human Liver Fatty Acid Binding Protein. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 54(9): 5676-5686, (2020).

Dataset for "Crizer, D.M.; Rice, J.R.; Smeltz, M.G.; Lavrich, K.S.; Ravindra, K.; Wambaugh, J.F.; DeVito, M.; Wetmore, B.A. In Vitro Hepatic Clearance Evaluations of Per- and Polyfluoroalkyl Substances (PFAS) across Multiple Structural Categories. Toxics 2024, 12, 672. https://doi.org/10.3390/toxics12090672". This dataset is associated with the following publication: Crizer, D., J. Rice, M. Smeltz, K. Lavrich, K. Ravindra, J. Wambaugh, M. Devito, and B. Wetmore. In Vitro Hepatic Clearance Evaluations of Per- and Polyfluoroalkyl Substances (PFAS) Across Multiple Structural Categories. Toxics. MDPI, Basel, SWITZERLAND, 12(9): 672, (2024).

File contains raw data collected on body and organ weights of mice given PFBS and body burden of the chemical after intervals of several hours, as well as expression of liver candidate genes for nuclear receptors at 24 h post-treatment. This dataset is associated with the following publication: Lau, C., J. Rumpler, K. Das, C. Wood, J. Schmid, M. Strynar, and J. Wambaugh. Pharmacokinetic profile of Perfluorobutane Sulfonate and activation of hepatic nuclear receptor target genes in mice. TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 441: 152522, (2020).

Data set 1 consists of the experimental data for the Wild Type and PPAR KO animal study and includes data used to prepare Figures 1-4 and Table 1 of the Das et al, 2016 paper. This dataset is associated with the following publication: Das, K., C. Wood, M. Lin, A.A. Starkov, C. Lau, K.B. Wallace, C. Corton, and B. Abbott. Perfluoroalky acids-induced liver steatosis: Effects on genes controlling lipid homeostasis. TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 378: 32-52, (2017).

Dataset for A Comparison of In Vitro Points of Departure with Human Biomonitoring Levels for Per- and Polyfluoroalkyl Substances (PFAS), to be published by Environmental Health Perspectives (EHP). This dataset is associated with the following publication: Judson, R., D. Smith, M. Devito, J. Wambaugh, B. Wetmore, K. Friedman, G. Patlewicz, R. Thomas, R. Sayre, J. Olker, S. Degitz, S. Padilla, J. Harrill, T. Shafer, and K. Carstens. A Comparison of In Vitro Points of Departure with Human Blood Levels for Per- and Polyfluoroalkyl Substances (PFAS) (Toxics). Toxics. MDPI, Basel, SWITZERLAND, 12(4): 271, (2024).

Dataset includes summary statistics (mean, standard error, sample size) for all endpoints measured and reported in the experiments described in the published manuscript. This dataset is associated with the following publication: Conley, J., C. Lambright, N. Evans, A. Farraj, J. Smoot, R. Grindstaff, D. Jenkins-Hill, J. McCord, E. Medlock Kakaley, A. Dixon, E. Hines, and L. Gray. Dose additive maternal and offspring effects of oral maternal exposure to a mixture of three PFAS (HFPO-DA, NBP2, PFOS) during pregnancy in the Sprague-Dawley rat. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 892: 164609, (2023).

A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.

A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.