The datafile contains data associated with analytical chemistry, fish gene expression, in vitro bioassays, chemical prioritization, and Attagene data for surface water monitoring and caged fish studies on the South Platte River (Colorado, USA) in 2018 and 2019. This dataset is associated with the following publication: Cavallin, J., J. Beihoffer, B. Blackwell, A. Cole, D. Ekman, R. Hofer, A. Jastrow, J. Kinsey, K. Keteles, E. Maloney, J. Parman, D. Winkelman, and D. Villeneuve. Effects-based monitoring of bioactive compounds associated with municipal wastewater treatment plant effluent discharge to the South Platte River, Colorado, USA. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 289: 117928, (2021).

The datafile contains data associated with analytical chemistry, fish gene expression, in vitro bioassays, chemical prioritization, and Attagene data for surface water monitoring and caged fish studies on the South Platte River (Colorado, USA) in 2018 and 2019. This dataset is associated with the following publication: Cavallin, J., J. Beihoffer, B. Blackwell, A. Cole, D. Ekman, R. Hofer, A. Jastrow, J. Kinsey, K. Keteles, E. Maloney, J. Parman, D. Winkelman, and D. Villeneuve. Effects-based monitoring of bioactive compounds associated with municipal wastewater treatment plant effluent discharge to the South Platte River, Colorado, USA. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 289: 117928, (2021).

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,

Matrix of contaminant measurements and endogenous metabolite intensities (measured by NMR). This dataset is associated with the following publication: Davis, J., D. Ekman, Q. Teng , G. Ankley , J. Berninger , J. Cavallin , K. Jensen , M. Kahl , A. Schroeder , D. Villeneuve , Z. Jorgenson, K. Lee, and T. Collette. Linking field-based metabolomics and chemical analyses to prioritize contaminants of emerging concern in the Great Lakes basin. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 35(10): 2493–2502, (2016).

Matrix of contaminant measurements and endogenous metabolite intensities (measured by NMR). This dataset is associated with the following publication: Davis, J., D. Ekman, Q. Teng , G. Ankley , J. Berninger , J. Cavallin , K. Jensen , M. Kahl , A. Schroeder , D. Villeneuve , Z. Jorgenson, K. Lee, and T. Collette. Linking field-based metabolomics and chemical analyses to prioritize contaminants of emerging concern in the Great Lakes basin. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 35(10): 2493–2502, (2016).

The present study highlights the utility of bioeffects-based monitoring in conjunction with analytical chemical measurements of surface waters on the Colorado River associated with a historically bioactive wastewater treatment plant effluent. Concurrent with chemical monitoring and in vitro bioactivity measurements, in situ caged fish systems were employed to evaluate the potential bioavailability of predicted biologically-active contaminants associated with ER, GR, and PPAR-associated activities. The present study compares the effects of a wastewater treatment plant facility upgrade on bioactive contaminant loading. This dataset is associated with the following publication: Cavallin, J., W. Battaglin, J. Beihoffer, B. Blackwell, P. Bradley, A. Cole, D. Ekman, R. Hofer, J. Kinsey, K. Keteles, D. Winkelman, and D. Villeneuve. Effects-Based Monitoring of Bioactive Chemicals Discharged to the Colorado River Before and After a Municipal Wastewater Treatment Plant Replacement. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 55(2): 974-984, (2021).

The occurrence of chemicals of emerging concern (CECs) and potential effects to aquatic biota in select tributaries of the St. Croix River in Minnesota and Wisconsin were measured. In 2011, treated wastewater effluent samples were collected from 22 sites in the St. Croix River Basin to determine total estrogenic activity. In 2012, wastewater effluent was collected at five select locations based on total estrogenicity and analyzed for CECs. In addition, surface water, bottom sediment, resident fish, and resident crayfish were collected upstream and downstream from effluent discharges. Water samples were analyzed for CECs (wastewater indicator compounds, steroid hormones, sterols, and pharmaceuticals). Bottom sediment samples were analyzed for a subset of CECs (wastewater indicator compounds, steroid hormones, and sterols). Fish and crayfish tissues were analyzed for select pharmaceuticals, antimicrobial compounds, plastic components, and alkylphenols. Multiple biological endpoints were assessed in resident and caged fish to assess biological effects of exposure to CECs.

We examined whether contaminants present in surface waters could be prioritized for further assessment by linking the presence of specific chemicals to gene expression changes in exposed fish. Fathead minnows were deployed in cages for 2, 4, or 8 days at three locations near two different waste water treatment plant discharge sites in the Saint Louis Bay, Duluth, MN and one upstream control site. The biological impact of 51 chemicals detected in the surface water was determined using biochemical endpoints, exposure activity ratios for biological and estrogenic responses; known chemical:gene interactions from biological pathways and knowledge bases, and analysis of the co-variance of ovary gene expression with surface water chemistry. Thirty-two chemicals were significantly linked by co-variance with expressed genes. No estrogenic impact on biochemical endpoints was observed in male or female minnows. However, bisphenol A was identified by chemical:gene co-variation as the most impactful chemical across the exposure sites. This was consistent with identification of estrogenic effects on gene expression, high exposure activity ratios across all test sites, and historical analysis of the area. Overall, this approach appears useful in examining the impacts of complex mixtures on fish and offers a potential route in linking chemical exposure to adverse outcomes that reduce population sustainability. This dataset is associated with the following publication: Perkins, E., T. Habib, B. Escalon, J. Cavallin, L. Thomas, M. Weberg, M. Hughes, K. Jensen, M. Kahl, D. Villeneuve, G. Ankley, and N. Garcia-Reyero. Prioritization of contaminants of emerging concern in wastewater treatment plant discharges using chemical: Gene interactions in caged fish. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 51(15): 8701-8712, (2017).

The Maumee River and associated tributaries are an example of a system influenced by a mosaic of contaminant inputs from point and nonpoint sources along a gradient of land uses. To assess the potential effects of contaminants on aquatic biota in a system this complex requires a combination of targeted and nontargeted analytical and biological monitoring techniques to provide data that can be assembled and interpreted in an integrated manner. The aim of the current paper was to provide a practical demonstration of this type of approach using a variety of state-of-the-science pathway-based tools. Studies conducted in 2012 and 2106 showed that contaminants in the upper part of the Maumee River reflect agricultural practices, while downstream, the suite of chemicals present includes those from agriculture in conjunction with contaminants more indicative of a general urban setting, influenced in some areas by WWTP inputs. Biological responses using in vitro assays with surface water samples, and measures of biological responses in caged fish deployed a various sites in the Maumee River were used to assess the potential for perturbation of specific biological pathways. Overall there was little evidence for contaminant effects on endocrine pathways involved is reproduction or development. However, multiple lines of evidence suggested the presence of contaminants that could inhibit or induce cytochrome P450-based enzymes thereby influencing biological pathways/processes associated with these ubiquitous proteins. This dataset is associated with the following publication: Ankley, G., J. Berninger, B. Blackwell, J. Cavallin, T. Collette, D. Ekman, K. Fay, D. Feifarek, K. Jensen, M. Kahl, J. Mosley, S. Poole, E. Randolph, D. Rearick, A. Schroeder, J. Swintek, and D. Villeneuve. Pathway-based approaches for assessing biological hazards of complex mixtures of contaminants: A case study in the Maumee River. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 40(4): 1098–1122, (2021).