Probing the Primary Mechanisms Affecting the Environmental Distribution of Estrogen and Androgen Isomers

CORC > 烟台海岸带研究所 > 中国科学院烟台海岸带研究所 > 中科院海岸带环境过程与生态修复重点实验室 > 污染过程与控制实验室

	Probing the Primary Mechanisms Affecting the Environmental Distribution of Estrogen and Androgen Isomers
	Qiao, Xianliang 2; Carmosini, Nadia 3; Li, Fei4 ; Lee, Linda S.1
刊名	ENVIRONMENTAL SCIENCE & TECHNOLOGY
	2011-05-01
卷号	45 期号:9 页码:3989-3995
关键词	Water Partition-coefficients Solvation Energy Relationships Solid-phase Microextraction Organic-matter Electrostatic Potentials Theoretical Descriptors Relevant Concentrations Solubility Enhancement Melengestrol Acetate Growth Promoters
通讯作者	Lee, LS, Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA.lslee@purdue.edu
产权排序	[Lee, Linda S.] Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA; [Qiao, Xianliang] Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn, Dalian 116024, Peoples R China; [Carmosini, Nadia] Univ Wisconsin, Dept Chem, La Crosse, WI 54601 USA; [Li, Fei] Chinese Acad Sci, Yantai Inst Coastal Zone Res, Key Lab Coastal Environm Proc, Yantai 264003, Peoples R China
文献子类	Article
英文摘要	Land application of animal manure has been identified as a source of natural and synthetic hormone contaminants that are frequently detected down-gradient of agricultural operations. Much research on the environmental fate of hormones has focused on the structural isomers most biologically active in mammals, e.g., the 17 beta-isomers of the estrogen estradiol (E2) and the synthetic androgen trenbolone (TB). However, recent work has shown that the alpha- and beta-isomers of E2 and TB can cause comparable effects on certain aquatic species. To improve our understanding and ability to predict isomer-specific interactions with environmental sorbents, we measured the association (K-DOC) of the alpha- and beta-isomers of E2 and TB as well as their primary metabolites (estrone and trendione) with two commercial dissolved organic carbon (DOC) sources by measuring both free and DOC-bound hormone concentrations. We also measured solvent-water partition coefficients partitioning (K-SW) for the same hormones using hexane, toluene, and octanol. Log K-DOC log.K-OC (OC-normalized sorption by soils), and K-OW values are all greater for the beta-isomer except between the E2 isomers. Theoretical descriptors reflecting electronic character and solute-solvent interactions were calculated to elucidate isomer-specific behavior. Trends for log K-OW and log K-DOC among hormones as well as between isomers are explained reasonably well by computed electrostatic potential and H-bonding parameters.; Land application of animal manure has been identified as a source of natural and synthetic hormone contaminants that are frequently detected down-gradient of agricultural operations. Much research on the environmental fate of hormones has focused on the structural isomers most biologically active in mammals, e.g., the 17 beta-isomers of the estrogen estradiol (E2) and the synthetic androgen trenbolone (TB). However, recent work has shown that the alpha- and beta-isomers of E2 and TB can cause comparable effects on certain aquatic species. To improve our understanding and ability to predict isomer-specific interactions with environmental sorbents, we measured the association (K(DOC)) of the alpha- and beta-isomers of E2 and TB as well as their primary metabolites (estrone and trendione) with two commercial dissolved organic carbon (DOC) sources by measuring both free and DOC-bound hormone concentrations. We also measured solvent-water partition coefficients partitioning (K(SW)) for the same hormones using hexane, toluene, and octanol. Log K(DOC) log.K(OC) (OC-normalized sorption by soils), and K(OW) values are all greater for the beta-isomer except between the E2 isomers. Theoretical descriptors reflecting electronic character and solute-solvent interactions were calculated to elucidate isomer-specific behavior. Trends for log K(OW) and log K(DOC) among hormones as well as between isomers are explained reasonably well by computed electrostatic potential and H-bonding parameters.
学科主题	Engineering ; Environmental ; Environmental Sciences
WOS关键词	WATER PARTITION-COEFFICIENTS ; SOLVATION ENERGY RELATIONSHIPS ; SOLID-PHASE MICROEXTRACTION ; ORGANIC-MATTER ; ELECTROSTATIC POTENTIALS ; THEORETICAL DESCRIPTORS ; RELEVANT CONCENTRATIONS ; SOLUBILITY ENHANCEMENT ; MELENGESTROL ACETATE ; GROWTH PROMOTERS
WOS研究方向	Engineering ; Environmental Sciences & Ecology
语种	英语
WOS记录号	WOS:000289819400029
资助机构	Natural Science Foundation of Shanxi, China [2006011077, 2007011079]; Shanxi Provincial Scholarship Foundation [20060024]; Chinese Academy of Sciences (CAS) ; CAS/SAFEA
内容类型	期刊论文
源URL	[http://ir.yic.ac.cn/handle/133337/4908]
专题	烟台海岸带研究所_污染过程与控制实验室烟台海岸带研究所_中科院海岸带环境过程与生态修复重点实验室
作者单位	1.Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA 2.Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn, Dalian 116024, Peoples R China 3.Univ Wisconsin, Dept Chem, La Crosse, WI 54601 USA 4.Chinese Acad Sci, Yantai Inst Coastal Zone Res, Key Lab Coastal Environm Proc, Yantai 264003, Peoples R China
推荐引用方式 GB/T 7714	Qiao, Xianliang,Carmosini, Nadia,Li, Fei,et al. Probing the Primary Mechanisms Affecting the Environmental Distribution of Estrogen and Androgen Isomers[J]. ENVIRONMENTAL SCIENCE & TECHNOLOGY,2011,45(9):3989-3995.
APA	Qiao, Xianliang,Carmosini, Nadia,Li, Fei,&Lee, Linda S..(2011).Probing the Primary Mechanisms Affecting the Environmental Distribution of Estrogen and Androgen Isomers.ENVIRONMENTAL SCIENCE & TECHNOLOGY,45(9),3989-3995.
MLA	Qiao, Xianliang,et al."Probing the Primary Mechanisms Affecting the Environmental Distribution of Estrogen and Androgen Isomers".ENVIRONMENTAL SCIENCE & TECHNOLOGY 45.9(2011):3989-3995.