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).

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)"

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).

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).

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).

Perfluorononanoic acid (PFNA) is one of the perfluoroalkyl acids found in the environment and in tissues of humans and wildlife. Prenatal exposure to PFNA negatively impacts survival and development of mice and activates the mouse and human peroxisome proliferator-activated receptor-alpha (PPARα). In the current study, we used PPARα knockout (KO) and 129S1/SvlmJ wild-type (WT) mice to investigate the role of PPARα in mediating PFNA-induced in vivo effects. Pregnant KO and WT mice were dosed orally with water (vehicle control: 10 ml/kg), 0.83, 1.1, 1.5, or 2mg/kg PFNA on gestational days (GDs) 1−18 (day of sperm plug = GD 0). Maternal weight gain, implantation, litter size, and pup weight at birth were unaffected in either strain. PFNA exposure reduced the number of live pups at birth and survival of offspring to weaning in the 1.1 and 2 mg/kg groups in WT. Eye opening was delayed (mean delay 2.1 days) and pup weight at weaning was reduced inWT pups at 2mg/kg. These developmental endpoints were not affected in the KO. Relative liver weight was increased in a dose-dependent manner in dams and pups of theWT strain at all dose levels but only slightly increased in the highest dose group in the KO strain. In summary, PFNA altered liver weight of dams and pups, pup survival, body weight, and development in the WT, while only inducing a slight increase in relative liver weight of dams and pups at 2mg/kg in KO mice. These results suggest that PPARα is an essential mediator of PFNA-induced developmental toxicity in the mouse. This dataset is associated with the following publication: Abbott, B., C. Wolf, J. Schmid, C. Lau, and R. Zehr. Developmental Effects of Perfluorononanoic Acid in the Mouse Are Dependent on Peroxisome Proliferator-Activated Receptor-alpha.. PPAR research. Hindawi Publishing Corporation, New York, NY, USA, 1-11, (2010).

Datasets included in the entry are Results from the US Environmental Protection Agency Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool and from the molecular modeling workflow that includes molecular docking and molecular dynamic simulations. All data that are represented in the figures, tables, and supplemental materials associated with this manuscript are included in this dataset entry. This dataset is associated with the following publication: Cheng, W., J. Doering, C. LaLone, and C. Ng. Integrative computational approaches to inform relative bioaccumulation potential of per- and polyfluoroalkyl substances (PFAS) across species. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 180(2): 212-223, (2021).

Gene expression data on >20 year-old, paired frozen and archival FFPE liver samples generated using targeted resequencing (TempO-Seq) and whole-genome RNA-sequencing methods. Samples were originally collected from male mice exposed to a reference chemical (dichloroacetic acid, DCA) at 0, 198, 313 and 427 mg/kg-day, (n=6/dose) by drinking water for 6 days. Portions of this dataset are inaccessible because: Including all of these files on ScienceHub would exceed the 1 Gb limit. They can be accessed through the following means: The data is stored on the L: Drive. Information on all of the files and file paths are indicated in the 20210923_Readme.xlsx file uploaded with the data. Format: Excel files, tab delimited files, csv files, and sequencing FASTQ files. This dataset is associated with the following publication: Cannizzo, M., C. Wood, S. Hester, and L. Wehmas. Case study: Targeted RNA-sequencing of aged formalin-fixed paraffin-embedded samples for understanding chemical mode of action. Toxicology Reports. Elsevier B.V., Amsterdam, NETHERLANDS, 9: 883-894, (2022).

Dataset includes summary statistics (mean, standard error, sample size) for all endpoints measured and reported from the the experiments described in the published manuscript. This dataset is associated with the following publication: Conley, J., C. Lambright, N. Evans, J. Bangma, J. Ford, D. Jenkins-Hill, E. Medlock Kakaley, and L. Gray. Maternal and neonatal effects of maternal oral exposure to perfluoro-2-methoxyacetic acid (PFMOAA) during pregnancy and early lactation in the Sprague-Dawley rat. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 58(2): 1064-1075, (2024).