Adverse outcome pathway (AOP) networks potentially provide a basis for predictive approaches to assess the toxicity of chemical mixtures. This study evaluated the utility of a simple AOP network to predict the interactive effects of a binary chemical mixture comprised of an inhibitor of the aromatase enzyme (fadrozole, a human pharmaceutical) and an agonist of the androgen receptor (trenbolone, a veterinary drug). Overall, prediction of interactive effects of the two chemicals based on the AOP network did not match actual observed effects. Rather, the two compounds seemed to interact in an independent manner in terms of their effects on the hypothalamic-pituitary-gonadal axis in the fish. This dataset is associated with the following publication: Ankley, G., B. Blackwell, J. Cavallin, J. Doering, D.J. Feifarek, K. Jensen, M. Kahl, C. Lalone, S. Poole, E. Randolph, T. Saari, and D. Villeneuve. Adverse outcome pathway network-based assessment of the interactive effects of an androgen receptor agonist and an aromatase inhibitor on fish endocrine function. AQUATIC TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 39(4): 913-922, (2020).
In September, 2015, a water sample was collected downstream of a major metropolitan waste water treatment plant that discharges to the South Platte River, Colorado, USA. The grab sample, 1L, was collected just below the water surface, directly into a pre-cleaned, organic-free, amber glass bottle. The water sample was extracted by solid phase extraction using an Oasis-HLB glass catridge. Cartidges were conditioned sequentially using 5mL each of ethyl acetate, 50:50 methanol (MeOH):dichloromethane (DCM), MeOH, and water. The extract in DMSO was tested in the Attagene cis- and trans-FactorialTM assays (http://www.attagene.com/technology.php; Martin and others 2010; Romanov and others 2008). Data were analyzed using an established analysis pipeline for analyzing ToxCast™ high throughput screening data (Filer and others 2017). "Active hits" in the Attagene assay are included in the data table. This dataset is associated with the following publication: Knapen, D., M. Angrish, M. Fortin, I. Katsiadaki, M. Leonard, L. Mariotta-Casaluci, S. Munn, J. O'Brien, N. Pollesch, L.C. Smith, X. Zhang, and D. Villeneuve. Adverse outcome pathway networks I: Development and applications. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 37(6): 1723-1733, (2018).
The data set provides a set of txt files and cytoscape files that were used to construct the example AOP networks included in the paper. Additionally, a supplementary table file provides all the network statistics discussed in the manuscript (e.g., node degree calculations, betweenness centrality, eccentricity, etc.). This dataset is associated with the following publication: Villeneuve, D., M. Angrish, M. Fortin, I. Katsiadaki, M. Leonard, L. Margiotta-Casaluci, S. Munn, J. O'Brien, N. Pollesch, C. Smith, X. Zhang, and D. Knapen. Adverse outcome pathway networks II: Network analytics. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 37(6): 1734-1748, (2018).
The majority of this dataset includes the query output from online databases ECOTOX and SeqAPASS used to support the ecological AOP case studies described within the manuscript. The final worksheet includes the raw data used to generate concentration vs response curves for four putative chemical initiators (Supplemental Figure S4). This dataset is associated with the following publication: Fay, K., D. Villeneuve, C. LaLone, Y. Song, K.E. Tollefsen, and G. Ankley. Practical approaches to adverse outcome pathway (AOP) development as illustrated by ecological case studies. SOCIETY OF ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY JOURNAL. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 36(6): 1429–1449, (2017).
This data set contains dose-response data for perchlorate exposure in multiple species. These data were assembled from peer-reviewed studies. Species included in this dataset are: rats (Rattus sp.), meadow voles (Microtus sp.), rabbits (Oryctolagus cuniculus), the African clawed frog (Xenopus laevis), zebrafish (Danio rerio), mosquito fish (Gambusia holbrooki), the bobwhite quail (Colinus virginianus), earthworms (Eisenia foetida), mosquito larvae (Culex quinquefasciatus), the water flea (Daphnia magna), and the sand dollar (Peronella japonica). This dataset is associated with the following publication: Hines, D., S. Edwards, R. Conolly, and A. Jarabek. The Aggregate Exposure Pathway (AEP) and Adverse Outcome Pathway (AOP) frameworks facilitate the integration of human health and ecological endpoints for Cumulative Risk Assessment (CRA). ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 52(2): 839-849, (2018).
The dataset includes survival of control, control injected, and CRISPR/Cas9 injected embryos as well as percent efficiency of insertion/deletion mutation formation for the three different CRISPR guide strands/targets evaluated in this study. This dataset is associated with the following publication: Maki, J., J. Cavallin, K. Lott, T. Saari, G. Ankley, and D. Villeneuve. A method for CRISPR/Cas9 mutation of genes in fathead minnow (Pimephales promelas). AQUATIC TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 222: 12 pg., (2020).
Fathead minnows (Pimephales promelas) were exposed to 100 ug/L indomethacin, 200 ug/L ibuprofen, or 20 ug/L celecoxib for 96 h. Effects on cycloxygenase enzyme activity in ovary, prostaglandin F2alpha concentrations in plasma, 17beta-estradiol concentrations in plasma, and vitellogenin concentrations in plasma were measured. Gene expression in ovary samples was evaluated using a 15,000 probe oligonucleotide microarray. Transcriptomics data (raw data and normalized) are available through the National Center for Biotechnology Information, Gene Expression Omnibus (GEO), accession number GSE72976. Metabolite profiles in liver tissue were measured by proton nuclear magnetic resonance. In addition to these data, the data set also contains identification of differentially expressed genes, pathway enrichment and gene set enrichment analyes, ToxCast data for indomethacin and celecoxib, chemical-gene interaction data derived from the Comparative Toxicogenomics database, and results from Level 1, Level 2, and Level 3 SeqAPASS analyses that examine conservation of target proteins across species (https://seqapass.epa.gov/seqapass/). This dataset is associated with the following publication: Martinovic-Weigelt, D., A. Mehinto, G. Ankley , J. Berninger, T. Collette , J. Davis , N. Denslow, E. Durhan, E. Eid, D. Ekman , K. Jensen , M. Kahl , C. LaLone , Q. Teng , and D. Villeneuve. Derivation and evaluation of putative adverse outcome pathways for the effects of cyclooxygenase inhibitors on reproductive processes in female fish. TOXICOLOGICAL SCIENCES. Society of Toxicology, 156(2): 344-361, (2017).
Triclocarban (TCC) is a widely used antimicrobial agent that is routinely detected in surface waters. The present study was designed to examine TCC’s efficacy and mode of action as a reproductive toxicant in fish. Reproductively mature Pimephales promelas were continuously exposed to either 1 or 5 μg TCC/L, 0.5 μg 17β-trenbolone (TRB)/L or a mixture (MIX) of 5 μg TCC and 0.5 μg TRB/L for 22 d and a variety of reproductive and endocrine-related endpoints were examined. The data set includes: -Concentrations of the test chemicals detected in water and tissues of exposed fish -Ex vivo production of testosterone and estradiol by gonad tissue placed in culture (ex vivo). -Plasma concentrations of testosterone, 17beta estradiol, and vitellogenin -Targeted gene expression measurements examining relative abundance of messenger RNA coding for enzymes involved in steroid synthesis: cholesterol side-chain cleavage (cyp11a), 17-a-hydroxylase/17,20 lyase (cyp17), aromatase (cyp19a1a), 3b-hydroxysteroid dehydrogenase (3bhsd), 11bhydroxysteroid dehydrogenase (11bhsd), and 17b-hydroxysteroid dehydrogenase (17bhsd) as well as five additional transcripts measured included steroidogenic acute regulatory protein (star), Vtg receptor (vtgr), follicle-stimulating hormone receptor (fshr), luteinizing hormone receptor (lhr), and androgen receptor (ar). -Ovarian transcriptomics data measured using a 15000 feature oligonucleotide microarray (GEO Platform Accession GPL10259). -Survival, reproduction, and morphological data. -. This dataset is associated with the following publication: Villeneuve , D., K. Jensen , J. Cavallin , E. Durhan, N. Garcia-Reyero, M. Kahl , R. Leino, E. Makynen, L. Wehmas, E. Perkins, and G. Ankley. Effects of the anti-microbial contaminant triclocarban and co-exposure with the androgen 17â-trenbolone, on reproductive function and ovarian transcriptome of the fathead minnow (Pimephales promelas). ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 36(1): :231-242, (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).
A set of three proposed "hub" key events were used to link together a series of example adverse outcome pathway (AOP) descriptions that were previously not linked in an AOP network. While there are no data associated with this product, the relevant adverse outcome pathway descriptions can be found at aopwiki.org. This dataset is not publicly accessible because: This product is a workshop report. There are no data associated with this product. It can be accessed through the following means: AOP descriptions that illustrate concepts discussed in this paper can be accessed via aopwiki.org. Format: There are no data associated with this product. This dataset is associated with the following publication: Villeneuve, D., B. Landesmann, P. Allavena, N. Ashley, A. Bal-Price, E. Corsini, S. Halappanavar, T. Hussell, D. Laskin, T. Lawrence, D. Nikolic-Paterson, M. Pallardy, A. Paini, R. Pieters, R. Roth, and F. Tschudi-Monnet. Representing the process of inflammation as key events in adverse outcome pathways. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 163(2): 346-352, (2018).
## There is [a newer version](https://doi.org/10.25678/0006CK) of this dataset. This package contains the supplementary information (SI) of chapter 3 of the dissertation of Frederik T. Weiss with the Dissertation No. ETH 27434 (defended: 24th February, 2021), entitled: "Pesticides in a tropical Costa Rican stream catchment: from monitoring and risk assessment to the identification of possible mitigation options". Generally within this thesis the supplementary information (SI) is divided into three parts (SI A, SI B, SI C). For each chapter, SI A section contains background information/data for the reader with quick and easy access added directly after each main chapter. SI B contains raw data, further processed data for analysis, and figures of processed data presented as Excel files. SI C combines the R scripts with information and commands utilized for the statistical analysis. The abstract of chapter 3 reads as follows: "A pesticide monitoring in the Tapezco river catchment region in two subsequent years (2015/2016) revealed that intensive pesticide use leads to contamination of streams. As shown in Chapter 2, 87 pesticide and pesticide transformation products (PPTP), comprising insecticides, herbicides, fungicides and several of their transformation products (TP) were identified by applying sorbent-based passive sampling approaches at the five (2015), respectively eight (2016), sub-catchment (SC) sites. Using these monitoring data as a basis, the first aim of this study was to exploit the measured environmental concentrations (MEC) of the PPTP with regard to their spatio-temporal distribution among the different sampling sites in the Tapezco river catchment. To enable a comparison between the two sampling years, of the 87 detected PPTP, the data set was narrowed down to those which were found in both sampling years, leading to a subset of 62 PPTP. Two MEC-based risk assessment approaches, one relying on Environmental Quality Standards (EQS) and the other on the Toxic Units (TU) concept focusing on invertebrates, were used to identify if the PPTP pose health risks to aquatic biota either singly or in mixture. As well, available macroinvertebrate data for four sites (SC1, SC4, SC5 and SC8) was evaluated in view of the indicated water quality, applying the species at risk pesticide (SPEARpesticide), the Costa Rican Biological Monitoring Working Party (BMWP-CR) Index, and the Ephemeroptera, Plecoptera and Tricoptera (EPT)-taxa richness indices. For the 62 considered PPTP, spatial trends were observed. In more detail, at two connected sites (SC2 and SC3), the average number of PPTP was 2-fold lower compared to the six remaining sites. At all sites, insecticides had the broadest detected spectrum as opposed to the numbers of individual herbicides and fungicides. Conversely, at all sites and periods, fungicides had the highest average %contribution of the average sum-concentration among the individual detected pesticide types. Independent of the risk assessment approach applied, the quality of the water was indicated to be generally poor, pointing at chronic, and even acute effects to be expected for aquatic communities at all sampling sites. Invertebrates were the most affected organism group based on EQS and TU without any apparent time window to recover from pesticide stress during both sampling years. The SPEARpesticide and the BMWP-CR indices both indicated that, despite the continuous pesticide pollution stress at all sites, water quality seemed to be improved at SC5 and reached even a good to regular water quality at the most downstream site (SC8) compared to the other remaining sites (SC1 and SC4) for which macroinvertebrate data was available. The EPT-taxa richness index showed as well an improvement in water quality at SC8. This finding could be due to a larger river stretch upstream to the sampling site with no horticultural land and high share of natural forest. Given that all applied approaches confirmed substantial risks, there is an urgent need for a reduction of pesticides in streams of the Tapezoco catchment to improve the water quality in order to protect aquatic communities in these streams."
The dataset contains concentrations profiles of 217 agricultural pesticides in surface water samples. Five small streams in Switzerland were sampled from the beginning of March to mid October 2017 using 3.5 day composite samples resulting in 61 to 66 measured samples per site and a total of 313 samples.
No novel data were reported in association with this product. This dataset is not publicly accessible because: The associated publication is a review/forum-type article. No novel scientific data are reported. All data cited have been previously published elsewhere. It can be accessed through the following means: Not applicable. Format: This article is a review/forum-type article. No novel scientific data are included. This dataset is associated with the following publication: Knapen, D., E. Stinckens, J. Cavallin, G. Ankley, H. Holbech, D. Villeneuve, and L. Vergauwen. Toward an AOP network-based tiered testing strategy for the assessment of thyroid hormone disruption. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 54(16): 8491-8499, (2020).