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Andersson, Patrik L.
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Publications (10 of 127) Show all publications
Mansouri, K., Kleinstreuer, N., Abdelaziz, A. M., Alberga, D., Alves, V. M., Andersson, P. L., . . . Judson, R. S. (2020). CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. Journal of Environmental Health Perspectives, 128(2), 1-17, Article ID 027002.
Open this publication in new window or tab >>CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
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2020 (English)In: Journal of Environmental Health Perspectives, ISSN 0091-6765, E-ISSN 1552-9924, Vol. 128, no 2, p. 1-17, article id 027002Article in journal (Refereed) Published
Abstract [en]

BACKGROUND: Endocrine disrupting chemicals (EDCs) are xenobiotics that mimic the interaction of natural hormones and alter synthesis, transport, or metabolic pathways. The prospect of EDCs causing adverse health effects in humans and wildlife has led to the development of scientific and regulatory approaches for evaluating bioactivity. This need is being addressed using high-throughput screening (HTS) in vitro approaches and computational modeling.

OBJECTIVES: In support of the Endocrine Disruptor Screening Program, the U.S. Environmental Protection Agency (EPA) led two worldwide consortiums to virtually screen chemicals for their potential estrogenic and androgenic activities. Here, we describe the Collaborative Modeling Project for Androgen Receptor Activity (CoMPARA) efforts, which follows the steps of the Collaborative Estrogen Receptor Activity Prediction Project (CERAPP).

METHODS: The CoMPARA list of screened chemicals built on CERAPP's list of 32,464 chemicals to include additional chemicals of interest, as well as simulated ToxCast (TM) metabolites, totaling 55,450 chemical structures. Computational toxicology scientists from 25 international groups contributed 91 predictive models for binding, agonist, and antagonist activity predictions. Models were underpinned by a common training set of 1,746 chemicals compiled from a combined data set of 11 ToxCast (TM)/Tox21 HTS in vitro assays.

RESULTS: The resulting models were evaluated using curated literature data extracted from different sources. To overcome the limitations of single-model approaches, CoMPARA predictions were combined into consensus models that provided averaged predictive accuracy of approximately 80% for the evaluation set.

DISCUSSION: The strengths and limitations of the consensus predictions were discussed with example chemicals; then, the models were implemented into the free and open-source OPERA application to enable screening of new chemicals with a defined applicability domain and accuracy assessment. This implementation was used to screen the entire EPA DSSTox database of similar to 875,000 chemicals, and their predicted AR activities have been made available on the EPA CompTox Chemicals dashboard and National Toxicology Program's Integrated Chemical Environment.

Place, publisher, year, edition, pages
US DEPT HEALTH HUMAN SCIENCES PUBLIC HEALTH SCIENCE, 2020
National Category
Pharmacology and Toxicology
Identifiers
urn:nbn:se:umu:diva-169387 (URN)10.1289/EHP5580 (DOI)000518589800006 ()32074470 (PubMedID)
Available from: 2020-04-01 Created: 2020-04-01 Last updated: 2020-04-01Bibliographically approved
Xiao, L., Zheng, Z., Irgum, K. & Andersson, P. L. (2020). Studies of Emission Processes of Polymer Additives into Water Using Quartz Crystal Microbalance-A Case Study on Organophosphate Esters. Environmental Science and Technology, 54(8), 4876-4885
Open this publication in new window or tab >>Studies of Emission Processes of Polymer Additives into Water Using Quartz Crystal Microbalance-A Case Study on Organophosphate Esters
2020 (English)In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 54, no 8, p. 4876-4885Article in journal (Refereed) Published
Abstract [en]

Plastic materials contain various additives, which can be released during the entire lifespan of plastics and pose a threat to the environment and human health. Despite our knowledge on leakage of additives from products, accurate and rapid approaches to study emission kinetics are largely lacking, in particular, methodologies that can provide in-depth understanding of polymer/additive interactions. Here, we report on a novel approach using quartz crystal microbalance (QCM) to measure emissions of additives to water from polymer films spin-coated on quartz crystals. The methodology, being accurate and reproducible with a standard error of +/- 2.4%, was applied to a range of organophosphate esters (OPEs) and polymers with varying physicochemical properties. The release of most OPEs reached an apparent steady-state within 10 h. The release curves for the studied OPEs could be fitted using a Weibull model, which shows that the release is a two-phase process with an initial fast phase driven by partitioning of OPEs readily available at or close to the polymer film surface, and a slower phase dominated by diffusion in the polymer. The kinetics of the first emission phase was mainly correlated with the hydrophobicity of the OPEs, whereas the diffusion phase was weakly correlated with molecular size. The developed QCM-based method for assessing and studying release of organic chemicals from a polymeric matrix is well suited for rapid screening of additives in efforts to identify more sustainable replacement polymer additives with lower emission potential.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2020
National Category
Physical Chemistry
Identifiers
urn:nbn:se:umu:diva-170793 (URN)10.1021/acs.est.9b07607 (DOI)000527738300020 ()32186175 (PubMedID)
Funder
The Kempe FoundationsCarl Tryggers foundation Swedish Research Council Formas
Available from: 2020-05-27 Created: 2020-05-27 Last updated: 2020-05-27Bibliographically approved
Arp, H. P., Morin, N. A. O., Andersson, P. L., Hale, S. E., Wania, F., Breivik, K. & Breedveld, G. D. (2020). The presence, emission and partitioning behavior of polychlorinated biphenyls in waste, leachate and aerosols from Norwegian waste-handling facilities. Science of the Total Environment, 715, 1-12, Article ID 136824.
Open this publication in new window or tab >>The presence, emission and partitioning behavior of polychlorinated biphenyls in waste, leachate and aerosols from Norwegian waste-handling facilities
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2020 (English)In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 715, p. 1-12, article id 136824Article in journal (Refereed) Published
Abstract [en]

Even though production and open use of polychlorinated biphenyls (PCBs) have been phased out in Western industrialised countries since the 1980s, PCBs were still present in waste collected from different waste handling facilities in Norway in 2013. Sums of seven indicator-PCBs (I-PCB7:PCB-28, -52, -101, -118, -138, -153 and -180) were highest in plastic waste (3700 +/- 1800 mu g/kg, n=15), waste electrical and electronic equipment (WEEE) (1300 +/- 400 mu g/kg, n=12) and fine vehicle fluff (1800 = 1400 mu g/kg, n=4) and lowest in glass waste, combustibles, bottom ash and fly ash (0.3 to 65 mu g/kg). Concentrations in leachate water varied from 1.7 to 2900 ng/L, with higher concentrations found at vehicle and WEEE handling facilities. Particles in leachate water exhibited similar PCB sorption properties as solid waste collected on site, with waste-water partitioning coefficients ranging from 10(5)to 10(7) .I-PCB7 in air samples collected at the sites were mostly in the gas phase (100-24000 pg/m(3)), compared to those associated with particles (9-1900 pg/m(3)). In contrast, brominated flame retardants (BFRs) in the same samples were predominantly found associated with particles (e.g. sum of 10 brominated diethyl ethers, Sigma BDE10, associated with particles 77-194,000 pg/m(3)) compared to the gas phase (Sigma DE10 6-473 pg/m(3)). Measured gas-phase I-PCB7 concentrations are less than predicted, assuming waste-air partitioning in equilibrium with predominant waste on site. However, the gas-particle partitioning behavior of PCBs and BFRs could be predicted using an established partitioning model for ambient aerosols. PCB emissions from Norwegian waste handling facilities occurred primarily in the form of atmospheric vapor or leachate particles.

Place, publisher, year, edition, pages
ELSEVIER, 2020
Keywords
Waste, Recycling, Leachate, Gas-particle, Emissions, WEEE, Plastic
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-169377 (URN)10.1016/j.scitotenv.2020.136824 (DOI)000518409900143 ()32007879 (PubMedID)
Available from: 2020-04-06 Created: 2020-04-06 Last updated: 2020-04-06Bibliographically approved
Zheng, Z., Peters, G. M., Arp, H. P. & Andersson, P. L. (2019). Combining in Silico Tools with Multicriteria Analysis for Alternatives Assessment of Hazardous Chemicals: A Case Study of Decabromodiphenyl Ether Alternatives. Environmental Science and Technology, 53(11), 6341-6351
Open this publication in new window or tab >>Combining in Silico Tools with Multicriteria Analysis for Alternatives Assessment of Hazardous Chemicals: A Case Study of Decabromodiphenyl Ether Alternatives
2019 (English)In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 53, no 11, p. 6341-6351Article in journal (Refereed) Published
Abstract [en]

Alternatives assessment is applied for minimizing the risk of unintentionally replacing a hazardous chemical with another hazardous chemical. Central challenges are the diversity of properties to consider and the lack of high-quality experimental data. To address this, a novel alternatives assessment procedure was developed based on in silico data and multicriteria decision analysis (MCDA) methods. As a case study, 16 alternatives to the flame retardant decabromodiphenyl ether were considered. The hazard properties included persistence (P), bioaccumulation potential (B), toxicities (T), and mobility in water (M). Databases were consulted and 2866 experimental data points were collected for the target chemicals; however, these were mostly replicate data points for some hazard criteria for a subset of alternatives. Therefore, in silico data and three MCDA strategies were tested including heat mapping, multiattribute utility theory (MAUT), and Elimination Et Choix Traduisant la REalite (ELECTRE III). The heat map clearly showed that none of the target chemicals are hazard-free, whereas MAUT and ELECTRE III agreed on ranking the "least worst" choices. This study identified several challenges and the complexity in the alternatives assessment processes motivating more case studies combining in silico and MCDA approaches.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2019
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-161452 (URN)10.1021/acs.est.8b07163 (DOI)000470793900024 ()31081616 (PubMedID)
Funder
Swedish Research Council Formas, 942-2015-672
Available from: 2019-07-10 Created: 2019-07-10 Last updated: 2019-07-10Bibliographically approved
Blum, K. M., Gallampois, C., Andersson, P. L., Renman, G., Renman, A. & Haglund, P. (2019). Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds. Journal of Hazardous Materials, 361, 111-122
Open this publication in new window or tab >>Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds
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2019 (English)In: Journal of Hazardous Materials, ISSN 0304-3894, E-ISSN 1873-3336, Vol. 361, p. 111-122Article in journal (Other academic) Published
Abstract [en]

The removal of organic contaminants from wastewater using cost-efficient and easily accessible methods have been increasingly studied in recent years. Most studies have focused on municipal sewage treatment plants; however, our study investigated treatment with char-fortified filter beds for on-site sewage treatment facilities (OSSFs). OSSFs are commonly used in rural and semi-urban areas all over the world to treat wastewater to reduce eutrophication and water-related diseases. To screen for a wide range of organic contaminants in order to improve the understanding of wastewater treatment efficiency and molecular properties, samples were taken from an OSSF field study site that used three filter types: sand, char-fortified sand, and char-fortified gas concrete. First, we screened for organic contaminants with state-of-the-art gas chromatography and liquid chromatography mass spectrometry-based targeted and untargeted analysis and then we developed quantitative structure-property relationship models to find the key molecular features responsible for the removal of organic contaminants. We identified 74 compounds, of which 24 were confirmed with reference standards. Amongst these 74 compounds were plasticizers, UV stabilizers, fragrances, pesticides, surfactant and polymer impurities, pharmaceuticals and their metabolites, and many biogenic compounds. Sand filters that are sometimes used as a last treatment step in OSSFs can remove hydrophobic contaminants. The addition of biochar significantly increases the removal of these and a few hydrophilic compounds (Wilcoxon signed-rank test, α = 0.05). Gas concrete did not appear to be suitable for the removal of organic contaminants. This study showed that, besides hydrophobic effects, biodegradation is the most important removal pathway in long-term field applications. However, further improvements are necessary to remove very hydrophilic contaminants as they were not removed with sand and biochar-fortified sand.

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Screening, decentralized wastewater treatment systems, GC×GC-HRMS, LC IM HRMS, biochar, quantitative structure-property relationship
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:umu:diva-144261 (URN)10.1016/j.jhazmat.2018.08.009 (DOI)000449125800013 ()30176409 (PubMedID)
Funder
Swedish Research Council Formas, 216-2012-2101
Available from: 2018-01-29 Created: 2018-01-29 Last updated: 2019-10-16Bibliographically approved
Durig, W., Tröger, R., Andersson, P. L., Rybacka, A., Fischer, S., Wiberg, K. & Ahrens, L. (2019). Development of a suspect screening prioritization tool for organic compounds in water and biota. Chemosphere, 222, 904-912
Open this publication in new window or tab >>Development of a suspect screening prioritization tool for organic compounds in water and biota
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2019 (English)In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 222, p. 904-912Article in journal (Refereed) Published
Abstract [en]

A customizable in silico tool (SusTool) for generating high resolution mass spectrometry (HRMS) suspect screening lists, specifically designed for the detection of hazardous organic compounds in various environmental compartments, was created. A database consisting of similar to 32 000 environmentally relevant organic compounds was constructed, including data on their physicochemical properties, environmental fate characteristics, and endocrine disruption potential, along with emissions and quantity indices. Welldefined customized suspect lists were generated by systematic ranking using a scoring and weighting procedure. For demonstration purposes, three suspect screening lists were created, one for water (SLWater) and two for biota covering less (SLBiota Kow<5 ) or more hydrophobic chemicals (SLBiota Kow>3). Scrutiny of overlaps between compounds within these lists and the SusDat database (20 suspect lists comprising similar to 58 000 compounds compiled by the Norman network) showed that approximately half of the compounds in the three suspect lists were also listed in one of the SusDat database lists. This indicates that SusTool is able to include highly relevant emerging pollutants, but also captures other compounds of potential concern that have been less well studied or not yet investigated. Overall, our in silico prioritization approach enables systematic creation of suspect screening lists and provides new opportunities for suspect screening for environmentally relevant compounds. 

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Suspect screening, Suspect screening, Physicochemical properties, Endocrine-disrupting chemicals (EDCs), Prioritization of compounds, Modeling, Database
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-158063 (URN)10.1016/j.chemosphere.2019.02.021 (DOI)000462109200102 ()
Funder
Swedish Environmental Protection Agency, NV-08996-13Swedish Research Council Formas, 222-2012-2124
Available from: 2019-04-15 Created: 2019-04-15 Last updated: 2019-04-15Bibliographically approved
Zhang, W., Gago-Ferrero, P., Gao, Q., Ahrens, L., Blum, K. M., Rostvall, A., . . . Renman, G. (2019). Evaluation of five filter media in column experiment on the removal of selected organic micropollutants and phosphorus from household wastewater. Journal of Environmental Management, 246, 920-928
Open this publication in new window or tab >>Evaluation of five filter media in column experiment on the removal of selected organic micropollutants and phosphorus from household wastewater
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2019 (English)In: Journal of Environmental Management, ISSN 0301-4797, E-ISSN 1095-8630, Vol. 246, p. 920-928Article in journal (Refereed) Published
Abstract [en]

A bench-scale column experiment was performed to study the removal of 31 selected organic micropollutants (MPs) and phosphorus by lignite, xyloid lignite (Xylit), granular activated carbon (GAC), Polonite (R) and sand over a period of 12 weeks. In total 29 out of the 31 MPs showed removal efficiency > 90% by GAC with an average removal of 97 +/- 6%. Xylit and lignite were less efficient with an average removal of 80 +/- 28% and 68 +/- 29%, respectively. The removal efficiency was found to be impacted by the characterization of the sorbents and physicochemical properties of the compounds, as well as the interaction between the sorbents and compounds. For instance, Xylit and lignite performed well for relatively hydrophobic (log octanol/water partition coefficient (K-ow) >= 3) MPs, while the removal efficiency of moderately hydrophilic, highly hydrophilic and negatively charged MPs were lower. The organic sorbents were found to have more functional groups at their surfaces, which might explain the higher adsorption of MPs to these sorbents. The removal of several MPs improved after four weeks in sand, Xylit, GAC and lignite which may be related to increased biological activity and biofilm development. GAC and sand had limited ability to remove phosphorus (12 +/- 27% and 14 +/- 2%, respectively), while the calcium-silicate material Polonite (R) precipitated phosphorus efficiently and increased the total phosphorus removal from 12% to 96% after the GAC filter.

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Micropollutant, Phosphorus, Sorbent, Surface functional group, Physicochemical property, Removal mechanism
National Category
Water Engineering
Identifiers
urn:nbn:se:umu:diva-163652 (URN)10.1016/j.jenvman.2019.05.137 (DOI)000482246700090 ()31279249 (PubMedID)
Available from: 2019-10-16 Created: 2019-10-16 Last updated: 2019-10-16Bibliographically approved
Gao, Q., Blum, K. M., Gago-Ferrero, P., Wiberg, K., Ahrens, L. & Andersson, P. L. (2019). Impact of on-site wastewater infiltration systems on organic contaminants in groundwater and recipient waters. Science of the Total Environment, 651, 1670-1679
Open this publication in new window or tab >>Impact of on-site wastewater infiltration systems on organic contaminants in groundwater and recipient waters
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2019 (English)In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 651, p. 1670-1679Article in journal (Refereed) Published
Abstract [en]

On-site sewage treatment facilities, particularly septic systems combined with soil infiltration, can be an important source of emerging organic contaminants in groundwater and surface water and thus represent a significant source of environmental and human exposure. Two infiltration systems in Åre municipality, Sweden, were examined to assess the occurrence of contaminants in groundwater and their fate and transport during infiltration. Groundwater samples, recipient surface water samples, and wastewater samples from septic tanks were collected from 2016 to 2017 covering all climatological seasons. These samples were analysed for a total of 103 contaminants, including pharmaceuticals, personal care products, organic phosphorus flame-retardants, plasticisers, perfluoroalkyl substances, and food additives. Fourteen of 103 contaminants showed 100% detection frequency in groundwater at concentrations in the low ng L−1 to low μg L−1 range. Of the compounds analysed, tris(2‑butoxyethyl) phosphate, sucralose, caffeine, and benzophenone showed high abundancy with maximum concentrations in the μg L−1 range. The data were normalised for dilution using chloride and sucralose as commonly applied tracers; however, the level of sucralose decreased significantly during infiltration and it is thus suboptimal as a sewage water tracer. Large differences between the two infiltration sites were observed in detection frequencies and concentrations in groundwater, which could be attributed to the system design and the contaminant's migration time from release to sampling point. Seasonal variation was observed for selected chemicals, and the more hydrophobic chemicals showed a higher tendency for attenuation, indicating sorption as a major retention mechanism. A moderate environmental risk to aquatic organisms was estimated in adjacent surface water for galaxolide, tris(1‑chloro‑2‑propyl) phosphate, and tris(2‑butoxyethyl) phosphate. Due to this site-dependency and potential environmental risks, further studies are needed on infiltration systems in different settings and on alternative treatment techniques to reduce the contaminant discharge from on-site sewage treatment facilities.

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Micropollutants, Environmental fate, Pharmaceuticals and personal care products, Drain field, Leach field, Decentralised wastewater treatment system
National Category
Environmental Sciences Oceanography, Hydrology and Water Resources
Identifiers
urn:nbn:se:umu:diva-154019 (URN)10.1016/j.scitotenv.2018.10.016 (DOI)000450551600003 ()30317168 (PubMedID)
Funder
Swedish Research Council Formas, RedMic (216 - 2012-2101)Swedish Agency for Marine and Water Management, 907-2017
Available from: 2018-12-20 Created: 2018-12-20 Last updated: 2018-12-20Bibliographically approved
McCallum, E. S., Lindberg, R. H., Andersson, P. L. & Brodin, T. (2019). Stability and uptake of methylphenidate and ritalinic acid in nine-spine stickleback (Pungitius pungitius) and water louse (Asellus aquaticus). Environmental Science and Pollution Research, 26(9), 9371-9378
Open this publication in new window or tab >>Stability and uptake of methylphenidate and ritalinic acid in nine-spine stickleback (Pungitius pungitius) and water louse (Asellus aquaticus)
2019 (English)In: Environmental Science and Pollution Research, ISSN 0944-1344, E-ISSN 1614-7499, Vol. 26, no 9, p. 9371-9378Article in journal (Refereed) Published
Abstract [en]

The presence of human pharmaceuticals in the environment has garnered significant research attention because these compounds may exert therapeutic effects on exposed wildlife. Yet, for many compounds, there is still little research documenting their stability in the water column and uptake in organism tissues. Here, we measured the uptake and stability of methylphenidate (Ritalin (R), a frequently prescribed central nervous system stimulant) and its primary metabolite, ritalinic acid, in (1) water only or (2) with nine-spine stickleback and water louse. Methylphenidate degraded to ritalinic acid in both studies faster at a higher temperature (20 degrees C versus 10 degrees C), with concentrations of ritalinic acid surpassing methylphenidate after 48-100 h, depending on temperature. The concentration of methylphenidate in stickleback was highest at the first sampling point (60 min), while the concentration in water louse tissues reached comparatively higher levels and peaked after similar to 6 days. Neither stickleback nor water louse took up ritalinic acid in tissues despite being present in the water column. Our findings provide valuable data for use in future risk assessment of methylphenidate and will aid in the design of studies aimed at measuring any ecotoxicological effects on, for example, the behaviour or physiology of aquatic organisms.

Place, publisher, year, edition, pages
Springer, 2019
Keywords
Pharmaceuticals, Ecotoxicology, Stimulant, Behaviour, Methylphenidate, Aquatic organisms
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-158603 (URN)10.1007/s11356-019-04557-9 (DOI)000464851100088 ()30805842 (PubMedID)
Available from: 2019-05-08 Created: 2019-05-08 Last updated: 2020-06-05Bibliographically approved
Larsson, M., Fraccalvieri, D., Andersson, C. D., Bonati, L., Linusson, A. & Andersson, P. L. (2018). Identification of potential aryl hydrocarbon receptor ligands by virtual screening of industrial chemicals. Environmental Science and Pollution Research, 25(3), 2436-2449
Open this publication in new window or tab >>Identification of potential aryl hydrocarbon receptor ligands by virtual screening of industrial chemicals
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2018 (English)In: Environmental Science and Pollution Research, ISSN 0944-1344, E-ISSN 1614-7499, Vol. 25, no 3, p. 2436-2449Article in journal (Refereed) Published
Abstract [en]

We have developed a virtual screening procedure to identify potential ligands to the aryl hydrocarbon receptor (AhR) among a set of industrial chemicals. AhR is a key target for dioxin-like compounds, which is related to these compounds’ potential to induce cancer and a wide range of endocrine and immune system related effects. The virtual screening procedure included an initial filtration aiming at identifying chemicals with structural similarities to 66 known AhR binders, followed by three enrichment methods run in parallel. These include two ligand-based methods (structural fingerprints and nearest neighbor analysis) and one structure-based method using an AhR homology model. A set of 6,445 commonly used industrial chemicals was processed, and each step identified unique potential ligands. Seven compounds were identified by all three enrichment methods, and these compounds included known activators and suppressors of AhR. Only approximately 0.7% (41 compounds) of the studied industrial compounds was identified as potential AhR ligands and among these, 28 compounds have to our knowledge not been tested for AhR-mediated effects or have been screened with low purity. We suggest assessment of AhR-related activities of these compounds and in particular 2-chlorotrityl chloride, 3-p-hydroxyanilino-carbazole, and 3-(2-chloro-4-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one.

Place, publisher, year, edition, pages
Springer, 2018
Keywords
virtual screening, aryl hydrocarbon receptor, industrial chemicals, molecular descriptors, structural similarity, molecular docking
National Category
Chemical Sciences Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-139486 (URN)10.1007/s11356-017-0437-9 (DOI)000422970600042 ()29127629 (PubMedID)
Note

Originally included in thesis in manuscript form

Available from: 2017-09-14 Created: 2017-09-14 Last updated: 2020-06-05Bibliographically approved
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