Supplementary material for "Kreutz, A.; Clifton, M.S.; Henderson, W.M.; Smeltz, M.G.; Phillips, M.; Wambaugh, J.F.; Wetmore, B.A. Category-Based Toxicokinetic Evaluations of Data-Poor Per- and Polyfluoroalkyl Substances (PFAS) using Gas Chromatography Coupled with Mass Spectrometry. Toxics 2023, 11, 463. https://doi.org/10.3390/toxics11050463". This dataset is associated with the following publication: Kreutz, A., M. Clifton, W. Henderson, M. Smeltz, M. Phillips, J. Wambaugh, and B. Wetmore. Category-Based Toxicokinetic Evaluations of Data-Poor Per- and Polyfluoroalkyl Substances (PFAS) using Gas Chromatography Coupled with Mass Spectrometry. Toxics. MDPI, Basel, SWITZERLAND, 11(5): 463, (2023).

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 "Gaines LGT, Sinclair G, Williams AJ. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integr Environ Assess Manag. 2023 Jan 11. doi: 10.1002/ieam.4735. Epub ahead of print. PMID: 36628931". This dataset is associated with the following publication: Gaines, L., G. Sinclair, and A. Williams. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integrated Environmental Assessment and Management. Allen Press, Inc., Lawrence, KS, USA, 19(5): 1333-1347, (2023).

Dataset for "Gaines LGT, Sinclair G, Williams AJ. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integr Environ Assess Manag. 2023 Jan 11. doi: 10.1002/ieam.4735. Epub ahead of print. PMID: 36628931". This dataset is associated with the following publication: Gaines, L., G. Sinclair, and A. Williams. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integrated Environmental Assessment and Management. Allen Press, Inc., Lawrence, KS, USA, 19(5): 1333-1347, (2023).

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).

Data for "Smeltz MG, Clifton MS, Henderson WM, McMillan L, Wetmore BA. Targeted Per- and Polyfluoroalkyl substances (PFAS) assessments for high throughput screening: Analytical and testing considerations to inform a PFAS stock quality evaluation framework. Toxicol Appl Pharmacol. 2023 Jan 15;459:116355. doi: 10.1016/j.taap.2022.116355. Epub 2022 Dec 16. PMID: 36535553". This dataset is associated with the following publication: Smeltz, M., M. Clifton, W. Henderson, L. McMillan, and B. Wetmore. Targeted Per- and Polyfluoroalkyl substances (PFAS) assessments for high throughput screening: Analytical and testing considerations to inform a PFAS stock quality evaluation framework. TOXICOLOGY AND APPLIED PHARMACOLOGY. Academic Press Incorporated, Orlando, FL, USA, 459: 116355, (2023).

Marci Smeltz, John F. Wambaugh, and Barbara A. Wetmore, Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment, Chemical Research in Toxicology, 10.1021/acs.chemrestox.3c00003. This dataset is associated with the following publication: Smeltz, M., J. Wambaugh, and B. Wetmore. Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, USA, 36(6): 870-871, (2023).

Marci Smeltz, John F. Wambaugh, and Barbara A. Wetmore, Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment, Chemical Research in Toxicology, 10.1021/acs.chemrestox.3c00003. This dataset is associated with the following publication: Smeltz, M., J. Wambaugh, and B. Wetmore. Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, USA, 36(6): 870-871, (2023).

Dataset for journal article 'Evaluation of 147 Perfluoroalkyl Substances for Immunosuppressive and other Activities Through Phenotypic Screening of Human Primary Cells'. Per- and polyfluoroalkyl substances (PFAS) are a large class of chemicals in widespread use for diverse applications in commerce resulting in significant presence in the environment. Extensive studies of several of the highly produced members of the class have demonstrated potential for adverse health consequences to humans and the environment as well as highly pervasive and persistent exposures. Here we report testing results of 147 PFAS substances in a phenotypic screening platform of primary human cell co-culture systems, the BioMAP® Diversity PLUS panel, used to model complex tissue and disease biology of organs (vasculature, immune system, skin, lung) and general tissue biology. PFAS were tested at four concentrations ranging from approximately 0.06 to 60 micromolar in order to minimize influence from confounding effects of polypharmacology resulting from qualitatively different activities at higher concentrations. We also compared response profiles for all PFAS with an existing database of responses for the BioMAP assays to identify other potential mechanisms of activity for this diverse chemical family. This dataset is associated with the following publication: Houck, K., K. Friedman, M. Feshuk, G. Patlewicz, M. Smeltz, M. Clifton, B. Wetmore, S. Velichko, A. Berenyi, and E. Berg. Evaluation of 147 perfluoroalkyl substances for immunotoxic and other (patho)physiological activities through phenotypic screening of human primary cells. ALTEX. Society ALTEX Edition, Kuesnacht, SWITZERLAND, 40(2): 248-270, (2023).

Dataset for journal article 'Evaluation of 147 Perfluoroalkyl Substances for Immunosuppressive and other Activities Through Phenotypic Screening of Human Primary Cells'. Per- and polyfluoroalkyl substances (PFAS) are a large class of chemicals in widespread use for diverse applications in commerce resulting in significant presence in the environment. Extensive studies of several of the highly produced members of the class have demonstrated potential for adverse health consequences to humans and the environment as well as highly pervasive and persistent exposures. Here we report testing results of 147 PFAS substances in a phenotypic screening platform of primary human cell co-culture systems, the BioMAP® Diversity PLUS panel, used to model complex tissue and disease biology of organs (vasculature, immune system, skin, lung) and general tissue biology. PFAS were tested at four concentrations ranging from approximately 0.06 to 60 micromolar in order to minimize influence from confounding effects of polypharmacology resulting from qualitatively different activities at higher concentrations. We also compared response profiles for all PFAS with an existing database of responses for the BioMAP assays to identify other potential mechanisms of activity for this diverse chemical family. This dataset is associated with the following publication: Houck, K., K. Friedman, M. Feshuk, G. Patlewicz, M. Smeltz, M. Clifton, B. Wetmore, S. Velichko, A. Berenyi, and E. Berg. Evaluation of 147 perfluoroalkyl substances for immunotoxic and other (patho)physiological activities through phenotypic screening of human primary cells. ALTEX. Society ALTEX Edition, Kuesnacht, SWITZERLAND, 40(2): 248-270, (2023).