Using QSAR Factors to Explore the Biodegradation Kinetics of Environmental Hormones in River Water

博士 === 朝陽科技大學 === 應用化學系生化科技碩博士班 === 103 === Environmental hormones (EHs), also known as endocrine-disrupting chemicals, pose a significant threat to human health and society and the environment. The objective of this study was to develop a biodegradation kinetic model in Dali river for EHs, i.e., α-...

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Bibliographic Details
Main Authors: Pei-Yu Yang, 楊珮玉
Other Authors: Shun-Cheng Wang
Format: Others
Language:zh-TW
Published: 2015
Online Access:http://ndltd.ncl.edu.tw/handle/79812502414190359836
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Summary:博士 === 朝陽科技大學 === 應用化學系生化科技碩博士班 === 103 === Environmental hormones (EHs), also known as endocrine-disrupting chemicals, pose a significant threat to human health and society and the environment. The objective of this study was to develop a biodegradation kinetic model in Dali river for EHs, i.e., α-endosulfan (α-ES), β-endosulfan (β-ES), 2,4-dichlorophenol (2,4-DCP), pentachlorophenol (PCP), nonyl phenol (NP), bisphenol A (BPA), dibutyl phthalate (DBP) and di-2-ethylhexyl phthalate (DEHP). The results indicate that the degradation kinetic constants of the eight EHs tested were in the range of 0.002 to 0.058 day-1 and followed the increasing order of β-ES < 2,4-DCP < NP < (α-ES) < DEHP < PCP < DBP < BPA. The 2D matrix-based descriptors were used to develop a quantitative structure-activity relationship for EH biodegradation rates. According to the established polynomial regression model, the biodegradation kinetic constants and the QSAR (Quantitative structure activity relationship) molecular interactions of the tested EHs played significant roles in the degradation process under the studied experimental conditions. The developed polynomial regression equation was tested by predicting the half-life degradation of dichloro-diphenyl-trichloroethane (DDT), endrin, heptachlor, mirex, toxaphene and comparaed to published data. The predicted value are the same as or within ± 10% of published data. These results showed the K model developed in this study could be used as a valuable tool to preditic the half-life degradation of EHs that with a planar structure.