In vitro biological activity data from a extracts of a nationwide survey of US streams. This dataset is associated with the following publication: Blackwell, B., G. Ankley, P. Bradley, K. Houck, S.S. Makarov, A. Medvedev, J. Swintek, and D. Villeneuve. Potential toxicity of complex mixtures in surface waters from a nationwide survey of United States streams: Identifying in vitro bioactivities and causative chemicals. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 53(2): 973-983, (2019).

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).

Water-borne contaminants were monitored in 69 tributaries of the Laurentian Great Lakes in 2010 and 2014 using semipermeable membrane devices (SPMDs), and polar organic chemical integrative samplers (POCIS). Analyses included 185 chemicals (143 detected) including PAHs, legacy and current-use pesticides, fire retardants, pharmaceuticals, fragrances, and others. Hazard quotients were calculated by dividing detected concentrations by biological effect concentrations reported in the ECOTOX Knowledgebase (Toxicity quotients, TQs) or ToxCast database (Exposure Activity Ratios, EARs). This dataset is associated with the following publication: Alvarez, D., S. Corsi, L. De Cicco, D. Villeneuve, and A. Baldwin. Identifying chemicals and mixtures of potential biological concern detected in passive samplers from Great Lakes tributaries using high-throughput data and biological pathways. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA,

Water-borne contaminants were monitored in 69 tributaries of the Laurentian Great Lakes in 2010 and 2014 using semipermeable membrane devices (SPMDs), and polar organic chemical integrative samplers (POCIS). Analyses included 185 chemicals (143 detected) including PAHs, legacy and current-use pesticides, fire retardants, pharmaceuticals, fragrances, and others. Hazard quotients were calculated by dividing detected concentrations by biological effect concentrations reported in the ECOTOX Knowledgebase (Toxicity quotients, TQs) or ToxCast database (Exposure Activity Ratios, EARs). This dataset is associated with the following publication: Alvarez, D., S. Corsi, L. De Cicco, D. Villeneuve, and A. Baldwin. Identifying chemicals and mixtures of potential biological concern detected in passive samplers from Great Lakes tributaries using high-throughput data and biological pathways. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA,

Human-use pharmaceutical compounds were analyzed at the U.S. Geological Survey, National Water Quality Laboratory, Denver, Colorado, in wadeable streams in 4 Regional Stream Quality Assessments: Northeast (NESQA), Southeast (SESQA), Pacific Northwest (PNSQA) and California (CSQA). Multiple (with few exceptions) samplings occurred at each site, during base flow, between 2014 and 2017. Sites were located in the headwaters of perennial, wadeable streams in urban and agricultural watersheds. Site selection and methodology for each assessment can be found in Van Meter and others (2015), Sheibley and others (2015), Van Meter and others (2017), Coles and others (2016), Van Meter and others (2016), Journey and others (2015), and Van Meter and others (2014).

Human-use pharmaceutical compounds were analyzed at the U.S. Geological Survey, National Water Quality Laboratory, Denver, Colorado, in wadeable streams in 4 Regional Stream Quality Assessments: Northeast (NESQA), Southeast (SESQA), Pacific Northwest (PNSQA) and California (CSQA). Multiple (with few exceptions) samplings occurred at each site, during base flow, between 2014 and 2017. Sites were located in the headwaters of perennial, wadeable streams in urban and agricultural watersheds. Site selection and methodology for each assessment can be found in Van Meter and others (2015), Sheibley and others (2015), Van Meter and others (2017), Coles and others (2016), Van Meter and others (2016), Journey and others (2015), and Van Meter and others (2014).

This data release contains concentration and hazard score data for 16 contaminants of emerging concern (CECs) collected from surface waters throughout the Great Lakes basin. Concentration data were compiled from various online, published, or internal sources. Original data represent work conducted by federal, state, and local entities over a span of 30 years (1991 - 2021). Hazard scores for specific CECs were determined by comparing measured environmental concentrations against effect category-specific screening values. These data are supplemental information for the associated journal paper.

Concentrations of 127 organic chemicals measured in water samples collected from five locations in proximity to two municipal wastewater treatment plants in the St. Croix River basin, MN and WI, USA are included. Additionally, gene expression in the livers of fathead minnows exposed in situ to the site water for 12 d is included. Gene expression was analyzed by oligonucleotide microarray and raw data are accessible through the National Center for Biotechnology Information (NCBI) Gene Expression Omnibus (GEO), accession number GSE81263. Additional analyses performed on those data, including construction of knowledge assembly models from comparison of the detected chemicals data with associated genes from the comparative toxicogenomics database, pathway and gene ontology enrichment analyses performed on the gene expression data, and richness and concordance statistics from a Reverse Causal Reasoning-based statistical approach are included. This dataset is associated with the following publication: Schroeder , A., D. Martinović-Weigelt, G. Ankley , K. Lee, N. Garcia-Reyero, E. Perkins, H. Schoenfuss, and D. Villeneuve. Prior knowledge-based approach for associating contaminants with biological effects: A case study in the St. Croix river basin, MN, WI, USA.. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 221: 427-436, (2017).

Concentrations of 127 organic chemicals measured in water samples collected from five locations in proximity to two municipal wastewater treatment plants in the St. Croix River basin, MN and WI, USA are included. Additionally, gene expression in the livers of fathead minnows exposed in situ to the site water for 12 d is included. Gene expression was analyzed by oligonucleotide microarray and raw data are accessible through the National Center for Biotechnology Information (NCBI) Gene Expression Omnibus (GEO), accession number GSE81263. Additional analyses performed on those data, including construction of knowledge assembly models from comparison of the detected chemicals data with associated genes from the comparative toxicogenomics database, pathway and gene ontology enrichment analyses performed on the gene expression data, and richness and concordance statistics from a Reverse Causal Reasoning-based statistical approach are included. This dataset is associated with the following publication: Schroeder , A., D. Martinović-Weigelt, G. Ankley , K. Lee, N. Garcia-Reyero, E. Perkins, H. Schoenfuss, and D. Villeneuve. Prior knowledge-based approach for associating contaminants with biological effects: A case study in the St. Croix river basin, MN, WI, USA.. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 221: 427-436, (2017).