Metabolic transformation as a diagnostic tool for the selection of candidate promutagens in effect-directed analysis

Hug, Christine; Krauß, Martin; Nüßer, Leonie; Hollert, Henner; Brack, Werner

doi:10.1016/j.envpol.2014.10.003

Cited by 7 publications

(7 citation statements)

References 52 publications

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“…1b and d). The retention time of compounds correlating with the mutagenicity between 15 min and 30 min corresponds to a log K OW of 0.9-3.3 (see S2.3) and is in accordance with results from a previous study (Hug et al, 2015).…”

Section: Analysis Of the Peaks Detected As Co-varying With Mutagenic supporting

confidence: 83%

“…The elemental composition of these 205 remaining peaks clearly discriminates the subset from non-co-varying peaks and supports their industrial origin. The selection of compounds eluting in the range between 15 and 30 min is in accordance with a conventional EDA study on samples from the WWTP effluent (Hug et al, 2015).…”

Section: Discussionmentioning

confidence: 99%

“…Compounds co-varying with the mutagenic activity were subjected to the identification process described by Hug et al (2015). Molecular formulas within a ±5 ppm window were transformed from accurate m/z values to masses of the neutral molecules assuming an ionization as [M+H] + in ESI+ and as [MÀH] À in ESIÀ.…”

Section: Analysis Of Peaks Selected By Plsmentioning

confidence: 99%

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Linking mutagenic activity to micropollutant concentrations in wastewater samples by partial least square regression and subsequent identification of variables

et al. 2015

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Section: Analysis Of the Peaks Detected As Co-varying With Mutagenic supporting

confidence: 83%

Section: Discussionmentioning

confidence: 99%

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Linking mutagenic activity to micropollutant concentrations in wastewater samples by partial least square regression and subsequent identification of variables

et al. 2015

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“…For AFT aliquots of gammarid and water extracts were dried under a nitrogen stream and residues were resuspended in 80 μL in dimethyl sulfoxide (DMSO). The AFT was done with Samonella typhimurium tester strains TA98 as described by Hug et al 81 The mutagenic activity was determined from the exponential fit of the dose−response curves using the slope of the curve (b) expressed as revertants per L sample in L methanolic extract. 82…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

Anthropogenic Stressors Shape Genetic Structure: Insights from a Model Freshwater Population along a Land Use Gradient

Inostroza

Vera-Escalona

Wicht

et al. 2016

Environ. Sci. Technol.

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Environmental pollution including mutagens from wastewater effluents and discontinuity by man-made barriers are considered typical anthropogenic pressures on microevolutionary processes that are responsible for the loss of biodiversity in aquatic ecosystems. Here, we tested for the effects of wastewater treatment plants (WWTPs), weirs and other stressors on the invertebrate species Gammarus pulex at the population genetic level combining evolutionary ecotoxicology, body burden analysis and testing for exposure to mutagens. Exposure to chemical pollution alone and in combination with the presence of weirs resulted in a depression of allelic richness in native G. pulex populations. Our results suggest that the input of a mutagenic effluent from a WWTP resulted in a strong increase in private alleles over the affected populations. In addition, the presence of weirs along the river disrupted the migration across the river and thus the gene flow between G. pulex upstream and downstream. This study provides strong evidence that the assessment of genetic variation including private alleles together with the contamination of mutagenic and nonmutagenic chemical pollution offers new insights into the regulation of genetic population structure and highlights the relevance of emerging anthropogenic pressures at the genetic level.

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“…While assumptions can be made with regard to the toxicity of the tentatively identified compounds, on the basis of structural similarity to compounds with known toxicity, various tools for predicting the toxicity of suspect chemical structures are also available. These include the predictive in silico program VEGA-QSAR (quantitative structure–activity relationship) and VirtualToxLab (Biographics Laboratory 3R, Switzerland), , or bioactivity specific QSAR models, including the Online Chemical Database with Modeling Environment (OCHEM) and the Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) platforms . Raies and Bajic recently reviewed the workflow to generate in silico toxicology tools, which included the various methods for generating these models .…”

Section: Future Directions In Identifying Toxic Transformation Productsmentioning

confidence: 99%

Integrated Framework for Identifying Toxic Transformation Products in Complex Environmental Mixtures

Chibwe

Titaley

Hoh

et al. 2017

Environ. Sci. Technol. Lett.

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Complex environmental mixtures consist of hundreds to thousands of unknown and unregulated organic compounds that may have toxicological relevance, including transformation products (TPs) of anthropogenic organic pollutants. Nontargeted analysis and suspect screening analysis offer analytical approaches for potentially identifying these toxic transformation products. However, additional tools and strategies are needed to reduce the number of chemicals of interest and focus analytical efforts on chemicals that may pose risks to humans and the environment. This brief review highlights recent developments in this field and suggests an integrated framework that incorporates complementary instrumental techniques, computational chemistry, and toxicity analysis, for prioritizing and identifying toxic TPs in the environment.

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Metabolic transformation as a diagnostic tool for the selection of candidate promutagens in effect-directed analysis

Cited by 7 publications

References 52 publications

Linking mutagenic activity to micropollutant concentrations in wastewater samples by partial least square regression and subsequent identification of variables

Linking mutagenic activity to micropollutant concentrations in wastewater samples by partial least square regression and subsequent identification of variables

Anthropogenic Stressors Shape Genetic Structure: Insights from a Model Freshwater Population along a Land Use Gradient

Integrated Framework for Identifying Toxic Transformation Products in Complex Environmental Mixtures

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