title: Linking in Vitro Effects and Detected Organic Micropollutants in Surface Water Using Mixture-Toxicity Modeling.
abstract: Surface water can contain countless organic micropollutants, and targeted chemical analysis alone may only detect a small fraction of the chemicals present. Consequently, bioanalytical tools can be applied complementary to chemical analysis to detect the effects of complex chemical mixtures. In this study, bioassays indicative of activation of the aryl hydrocarbon receptor (AhR), activation of the pregnane X receptor (PXR), activation of the estrogen receptor (ER), adaptive stress responses to oxidative stress (Nrf2), genotoxicity (p53) and inflammation (NF-κB) and the fish embryo toxicity test were applied along with chemical analysis to water extracts from the Danube River. Mixture-toxicity modeling was applied to determine the contribution of detected chemicals to the biological effect. Effect concentrations for between 0 to 13 detected chemicals could be found in the literature for the different bioassays. Detected chemicals explained less than 0.2% of the biological effect in the PXR activation, adaptive stress response, and fish embryo toxicity assays, while five chemicals explained up to 80% of ER activation, and three chemicals explained up to 71% of AhR activation. This study highlights the importance of fingerprinting the effects of detected chemicals.
authors.affiliation: Smart Water Research Centre, School of Environment, Griffith University , Southport QLD 4222, Australia.|National Research Centre for Environmental Toxicology (Entox), The University of Queensland , Brisbane QLD 4108, Australia.
authors.forename: Peta A
authors.initials: PA
authors.lastname: Neale
authors.affiliation: Institut National de l'Environnement Industriel et des Risques INERIS, Unité d'Ecotoxicologie , 60550 Verneuil-en-Halatte, France.
authors.forename: Selim
authors.initials: S
authors.lastname: Ait-Aissa
authors.affiliation: UFZ - Helmholtz Centre for Environmental Research , 04318 Leipzig, Germany.|Department of Ecosystem Analysis, Institute for Environmental Research, RWTH Aachen University , 52074 Aachen, Germany.
authors.forename: Werner
authors.initials: W
authors.lastname: Brack
authors.affiliation: Institut National de l'Environnement Industriel et des Risques INERIS, Unité d'Ecotoxicologie , 60550 Verneuil-en-Halatte, France.
authors.forename: Nicolas
authors.initials: N
authors.lastname: Creusot
authors.affiliation: Department of Environmental Toxicology, University of California , Davis, California 95616, United States.
authors.forename: Michael S
authors.initials: MS
authors.lastname: Denison
authors.affiliation: Department of Ecosystem Analysis, Institute for Environmental Research, RWTH Aachen University , 52074 Aachen, Germany.
authors.forename: Björn
authors.initials: B
authors.lastname: Deutschmann
authors.affiliation: Research Centre for Toxic Compounds in the Environment (RECETOX), Masaryk University , Kamenice 753/5, 62500 Brno, Czech Republic.
authors.forename: Klára
authors.initials: K
authors.lastname: Hilscherová
authors.affiliation: Department of Ecosystem Analysis, Institute for Environmental Research, RWTH Aachen University , 52074 Aachen, Germany.
authors.forename: Henner
authors.initials: H
authors.lastname: Hollert
authors.affiliation: UFZ - Helmholtz Centre for Environmental Research , 04318 Leipzig, Germany.
authors.forename: Martin
authors.initials: M
authors.lastname: Krauss
authors.affiliation: Research Centre for Toxic Compounds in the Environment (RECETOX), Masaryk University , Kamenice 753/5, 62500 Brno, Czech Republic.
authors.forename: Jiří
authors.initials: J
authors.lastname: Novák
authors.affiliation: UFZ - Helmholtz Centre for Environmental Research , 04318 Leipzig, Germany.
authors.forename: Tobias
authors.initials: T
authors.lastname: Schulze
authors.affiliation: Department of Ecosystem Analysis, Institute for Environmental Research, RWTH Aachen University , 52074 Aachen, Germany.
authors.forename: Thomas-Benjamin
authors.initials: TB
authors.lastname: Seiler
authors.affiliation: Institut National de l'Environnement Industriel et des Risques INERIS, Unité d'Ecotoxicologie , 60550 Verneuil-en-Halatte, France.
authors.forename: Helene
authors.initials: H
authors.lastname: Serra
authors.affiliation: Department of Ecosystem Analysis, Institute for Environmental Research, RWTH Aachen University , 52074 Aachen, Germany.
authors.forename: Ying
authors.initials: Y
authors.lastname: Shao
authors.affiliation: National Research Centre for Environmental Toxicology (Entox), The University of Queensland , Brisbane QLD 4108, Australia.|UFZ - Helmholtz Centre for Environmental Research , 04318 Leipzig, Germany.|Environmental Toxicology, Center for Applied Geosciences, Eberhard Karls University Tübingen , 72074 Tübingen, Germany.
authors.forename: Beate I
authors.initials: BI
authors.lastname: Escher
mesh_terms: D000818:Animals; D001681:Biological Assay; D054750:Ecotoxicology / Q000379:methods*; D004625:Embryo, Nonmammalian / Q000187:drug effects; D005399:Fishes / Q000196:embryology; D066298:In Vitro Techniques; D008962:Models, Theoretical; D009152:Mutagenicity Tests / Q000379:methods; D016328:NF-kappa B; D009930:Organic Chemicals / Q000032:analysis / Q000633:toxicity; D000077297:Pregnane X Receptor; D018336:Receptors, Aryl Hydrocarbon / Q000378:metabolism; D011960:Receptors, Estrogen / Q000378:metabolism; D011987:Receptors, Steroid / Q000378:metabolism; D045483:Rivers / Q000737:chemistry; D018675:Toxicity Tests / Q000379:methods; D014874:Water Pollutants, Chemical / Q000032:analysis* / Q000633:toxicity*
chemical_list: D016328:NF-kappa B; D009930:Organic Chemicals; D000077297:Pregnane X Receptor; D018336:Receptors, Aryl Hydrocarbon; D011960:Receptors, Estrogen; D011987:Receptors, Steroid; D014874:Water Pollutants, Chemical