This data supports the journal publication "Comprehensive compilation of congener profiles to support health assessment of environmental exposures to polychlorinated biphenyl mixtures" which identifies and extracts published congener profiles across 29 commercial and simulated environmental PCB mixtures, including various Aroclors, Phenoclors, Clophens, and Kanechlors, among others. This work represents the most extensive effort to date to compile and make publicly available the PCB congener profiles for mixtures with toxicological data, providing a foundation for understanding toxicological potency of PCB mixtures in the environment. This dataset is associated with the following publication: Schulz, B., L. Carlson, K. Christensen, C. Weitekamp, R. Marek, A. Martinez, K. Hornbuckle, and G. Lehmann. Comprehensive compilation of congener profiles to support health assessment of environmental exposures to polychlorinated biphenyl mixtures. ENVIRONMENTAL RESEARCH. Elsevier B.V., Amsterdam, NETHERLANDS, 263(Part 1): 120081, (2024).

The PCB Residue Effects (PCBRes) Database was developed to assist scientists and risk assessors in correlating PCB and dioxin-like compound residues with toxic effects. The purpose is to develop PCB critical residue values for fish, mammals and birds, especially as these relate to aquatic and aquatic-dependent species.

The PCB Residue Effects (PCBRes) Database was developed to assist scientists and risk assessors in correlating PCB and dioxin-like compound residues with toxic effects. The purpose is to develop PCB critical residue values for fish, mammals and birds, especially as these relate to aquatic and aquatic-dependent species.

Supporting data for the peer reviewed manuscript "A systematic evidence map for the evaluation of noncancer health effects and exposures to polychlorinated biphenyl mixtures" and the accompanying government report "A Systematic Evidence Map of Noncancer Health Endpoints and Exposures to Polychlorinated Biphenyl (PCB) Mixtures". This dataset is associated with the following publications: Carlson, L., K. Christensen, S. Sagiv, P. Rajan, C. Klocke, P. Lein, E. Coffman, R. Shaffer, E. Yost, X. Arzuaga Andino, P. Factor-Litvak, A. Sergeev, M. Toborek, M. Bloom, J. Trgovcich, T. Jusko, L. Robertson, J. Meeker, A. Keating, R. Blain, R. Silva, S. Snow, C. Lin, K. Shipkowski, B. Ingle, and G. Lehmann. A Systematic Evidence Map for The Evaluation of Noncancer Health Effects and Exposures to Polychlorinated Biphenyl Mixtures. ENVIRONMENTAL RESEARCH. Elsevier B.V., Amsterdam, NETHERLANDS, 220: 115148, (2023). Carlson, L., G. Lehmann, E. Yost, B. Ingle, E. Coffman, K. Christensen, R. Shaffer, J. Trgovcich, S. Sagiv, P. Rajan, C. Klocke, P. Lein, A. Sergeev, M. Bloom, M. Toborek, L. Robertson, T. Jusko, J. Meeker, A. Keating, C. Lin, K. Shipkowski, and R. Silva. Systematic Evidence of Noncancer Health Effects of PCB Mixtures. U.S. Environmental Protection Agency, Washington, DC, USA, 2023.

Analytical and field sampling data for each 2018-2019 NRSA Fish Tissue Study chemical contaminant are provided, along with a data dictionary that describes the contents of each data file. All results for the fillet tissue concentrations are reported on a wet weight basis. All the fish fillet samples analyzed contained detectable levels of mercury and PCBs, and PFAS were detected in 95% of the fillet samples. This dataset is associated with the following publication: Stahl, L., B.D. Snyder, H.B. McCarty, T. Kincaid, A. Olsen, T.R. Cohen, and J. Healey. Contaminants in Fish from U.S. Rivers: Probability-Based National Assessments. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 861(25): 160557, (2023).

Anthropogenic activities introduce complex mixtures into aquatic environments, necessitating the evaluation of mixture toxicity during ecological risk assessments. There are many new approach methodologies (NAMs) that can be used to complement traditional approaches for conducting mixture assessments. This study aimed to demonstrate how traditional approaches and NAMs can be integrated and employed for mixture evaluation in a target watershed. Assessments were carried out over two years (2017 – 2018) across 8 – 11 study sites in the Milwaukee Estuary (WI, USA). Whole mixtures were evaluated on a site-specific basis by deploying caged fathead minnows (Pimephales promelas) alongside composite samplers for 96-h and characterizing chemical composition, in vitro bioactivity, and in vivo effects in collected water and tissue samples. Chemicals were grouped based on structure/mode of action, bioactivity, and pharmacological actions. Significant chemical/mixtures were identified by assessing contributions to cumulative toxicity units (maximum cumulative ratio analyses) and predictive relationships with measured effects (random Forest regression). Whole mixture assessments identified specific target sites for further evaluation in the Milwaukee Estuary, including four sites impacted by industrial chemical/fuel/polycyclic aromatic hydrocarbon mixtures, four sites impacted by pharmaceutical mixtures, two sites requiring further experimental evaluation, and one low impact site. Constituent-based and predictive analyses identified twelve mixtures and twelve chemicals which significantly contributed to and/or predicted cumulative effects, thus representing priority targets for further ecotoxicological evaluation, monitoring, or regulatory assessment. Overall, this study represents an important complement to single-chemical prioritizations, providing a more comprehensive evaluation of cumulative effects of chemicals detected in a target watershed. Furthermore, it demonstrates diverse tools and techniques that can be employed and adapted for future mixture risk assessments in aquatic environments. This dataset is associated with the following publication: Maloney, E., D. Villeneuve, K. Jensen, B. Blackwell, M. Kahl, S. Poole, K. Vitense, D. Feifarek, G. Patlewicz, K. Dean, C. Tilton, E. Randolph, J. Cavallin, C. Lalone, D. Blatz, C. Schaupp, and G. Ankley. Evaluation of Complex Mixture Toxicity in the Milwaukee Estuary (WI, USA) Using Whole-Mixture and Component-Based Evaluation Methods. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 42(6): 1229-1256, (2023).

Anthropogenic activities introduce complex mixtures into aquatic environments, necessitating the evaluation of mixture toxicity during ecological risk assessments. There are many new approach methodologies (NAMs) that can be used to complement traditional approaches for conducting mixture assessments. This study aimed to demonstrate how traditional approaches and NAMs can be integrated and employed for mixture evaluation in a target watershed. Assessments were carried out over two years (2017 – 2018) across 8 – 11 study sites in the Milwaukee Estuary (WI, USA). Whole mixtures were evaluated on a site-specific basis by deploying caged fathead minnows (Pimephales promelas) alongside composite samplers for 96-h and characterizing chemical composition, in vitro bioactivity, and in vivo effects in collected water and tissue samples. Chemicals were grouped based on structure/mode of action, bioactivity, and pharmacological actions. Significant chemical/mixtures were identified by assessing contributions to cumulative toxicity units (maximum cumulative ratio analyses) and predictive relationships with measured effects (random Forest regression). Whole mixture assessments identified specific target sites for further evaluation in the Milwaukee Estuary, including four sites impacted by industrial chemical/fuel/polycyclic aromatic hydrocarbon mixtures, four sites impacted by pharmaceutical mixtures, two sites requiring further experimental evaluation, and one low impact site. Constituent-based and predictive analyses identified twelve mixtures and twelve chemicals which significantly contributed to and/or predicted cumulative effects, thus representing priority targets for further ecotoxicological evaluation, monitoring, or regulatory assessment. Overall, this study represents an important complement to single-chemical prioritizations, providing a more comprehensive evaluation of cumulative effects of chemicals detected in a target watershed. Furthermore, it demonstrates diverse tools and techniques that can be employed and adapted for future mixture risk assessments in aquatic environments. This dataset is associated with the following publication: Maloney, E., D. Villeneuve, K. Jensen, B. Blackwell, M. Kahl, S. Poole, K. Vitense, D. Feifarek, G. Patlewicz, K. Dean, C. Tilton, E. Randolph, J. Cavallin, C. Lalone, D. Blatz, C. Schaupp, and G. Ankley. Evaluation of Complex Mixture Toxicity in the Milwaukee Estuary (WI, USA) Using Whole-Mixture and Component-Based Evaluation Methods. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 42(6): 1229-1256, (2023).

Polychlorinated biphenyls (PCBs) are a group of 209 chemicals with varying chlorine substitutions that influence their absorption, distribution, metabolism, and excretion (ADME). These differences affect how PCBs behave in the body, including their lipophilicity, tissue distribution, and biological half-life. Humans and animals can absorb PCBs through inhalation, ingestion, or skin contact, with the compounds accumulating in fatty tissues and eliminating at variable rates—some over decades. Pharmacokinetic (PK) models help estimate internal doses and assess health risks by accounting for species-specific ADME properties. However, modeling PCBs is challenging due to their persistence, bioaccumulation, and structural diversity. While PK models can support risk assessment and interspecies extrapolation, they require accurate data—particularly biological half-lives, which are unavailable for many congeners. This study aims to compile half-life data for individual PCB congeners from the literature in support of future explorations of the use of Quantitative Structure Activity Relationship (QSAR) models to predict half-lives of unstudied congeners using structural features like chlorine substitution patterns, building on prior work. Database curation: The HERO PCBs project page (https://hero.epa.gov/hero/index.cfm/project/page/project_id/384) was searched using terms related to half-life or elimination. Studies retrieved by the literature search were screened to identify studies containing PCB congener half-life data. Select details from each relevant study were entered into the database (e.g., citation information, congener name and number, exposure context, population descriptors, biological matrix, and reported half-life).

Frequent itemset mining (FIM), a technique used for finding patterns in consumer purchasing behavior, can be applied to data from large-scale biomonitoring studies to identify combinations of chemicals that frequently co-occur in people. As a proof of concept, we applied FIM to biomonitoring data from the National Health and Nutrition Examination Survey. In this way, we identified 90 chemical combinations consisting of relatively few chemicals that occur in at least 30% of the US population, as well as 3 super-combinations consisting of relatively many chemicals that occur in a small but non-negligible proportion of the US population. Thus, we have demonstrated a technique for narrowing a large number of possible chemical combinations down to a much smaller collection of prevalent chemical combinations. This dataset is associated with the following publication: Kapraun, D.F., J.F. Wambaugh, R. Tornero-Velez, and R.W. Setzer. (ENVIRONMENTAL HEALTH PERSPECTIVES) Identifying Prevalent Chemical Mixtures in the US Population. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 125(8): 1-16, (2017).