ingest cdrApp 2018-06-13T21:10:52.487Z 51cd2fe2-3fd7-401f-a923-a97bc3db68a2 modifyDatastreamByValue RELS-EXT fedoraAdmin 2018-06-13T22:41:56.632Z Setting exclusive relation addDatastream MD_TECHNICAL fedoraAdmin 2018-06-13T22:42:07.958Z Adding technical metadata derived by FITS addDatastream MD_FULL_TEXT fedoraAdmin 2018-06-13T22:42:31.310Z Adding full text metadata extracted by Apache Tika modifyDatastreamByValue RELS-EXT fedoraAdmin 2018-06-13T22:42:53.350Z Setting exclusive relation modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-07-10T23:15:26.542Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-07-17T19:18:58.488Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-08-08T18:46:05.458Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-08-15T15:54:18.407Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-08-16T18:57:10.668Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-09-21T16:23:29.893Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-09-26T19:30:45.311Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2018-10-11T20:11:31.566Z modifyDatastreamByValue MD_DESCRIPTIVE cdrApp 2019-03-20T13:16:28.023Z Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text University of North Carolina at Chapel Hill Degree granting institution Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Breanne Holmes Creator Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Chemistry Environmental science Toxicology Androgen; Disinfection By-products; Endocrine Disruption; Estrogen; Water Reuse; Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text 2018 2018-05 Breanne Holmes Author Department of Environmental Sciences and Engineering Gillings School of Global Public Health Occurrence and Control of Estrogenic and Androgenic Activity in Water Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. Spring 2018 2018 Chemistry Environmental science Toxicology Androgen, Disinfection By-products, Endocrine Disruption, Estrogen, Water Reuse, Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Environmental Sciences and Engineering Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Breanne Holmes Creator Department of Environmental Sciences and Engineering Gillings School of Global Public Health Endocrine disrupting compounds (EDCs), including pesticides, plasticizers, and personal care products that accumulate in wastewater, are exogenous chemicals that can alter hormonal regulation and gene transcription, in part by mimicking natural hormones and binding to receptors. Environmental EDC exposures can cause profound effects for humans, ranging from breast, prostate, and lung cancer to obesity and infertility. Some epidemiological studies indicate disinfection by-products (DBPs), formed during drinking water treatment, could cause similar adverse health effects. A more complete assessment of endocrine active DBP structural classes and the remediation of known EDCs from wastewater are required. This dissertation identifies EDCs of concern in drinking water and evaluates the removal of estrogenic activity from wastewater using a combination of chemical and biochemical techniques. Using receptor-binding assays and in silico molecular docking, the binding affinity of 21 DBPs were tested individually and in binary mixtures at concentrations ranging from 0.1 nM to 2 mM for their affinity to the human estrogen alpha and chimp androgen receptor. 14 DBPs were found to bind to the androgen receptor, at IC50 values in the range of 1.86 mM for 2,3-dichloropropionamide to 13.5 μM for 3,4,5,6-tetrachloro-benzoquinone, and were predicted to adopt the antagonist conformation. For the estrogen receptor, 9 of the 21 DBPs were able to bind weakly, with affinities ranging from IC50 values of 1.44 mM for dibromoacetonitrile to 148 μM for bromopicrin, which was contrary to in silico predictions that showed a low probability of binding. In binary mixtures, the DBPs followed concentration addition for both receptors. The yeast estrogen screen (YES) was then used to evaluate remediation of estrogenic activity in a simulated vertical flow filtration on-site wastewater treatment system. A laboratory-scale column study of dose loading intervals of 8, 12, 24, 36, and 48h free flowing and 8h saturated conditions showed higher removal of target anthropogenic chemicals and estrogenic activity with decreasing dose intervals. Moreover, higher levels of activity in the treated wastewater were measured by the YES assay than explained by the chemical concentrations. These results highlight the utility of complementary chemical and biological analyses for studying the effects of treatment on wastewater quality. 2018-05 2018 Chemistry Environmental science Toxicology Androgen; Disinfection By-products; Endocrine Disruption; Estrogen; Water Reuse; Water Treatment eng Doctor of Philosophy Dissertation University of North Carolina at Chapel Hill Graduate School Degree granting institution Howard Weinberg Thesis advisor Rebecca Fry Thesis advisor Michael Aitken Thesis advisor David Singleton Thesis advisor Halford House Thesis advisor text Holmes_unc_0153D_17794.pdf uuid:da4fed09-8237-495d-91e1-7dd5c21f675c 2020-06-13T00:00:00 2018-05-01T08:12:54Z proquest application/pdf 12096491