OCTANOL

作品数:24被引量:55H指数:4
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相关领域:理学更多>>
相关作者:张倩鲍忠剑更多>>
相关机构:中国药科大学中国农业大学更多>>
相关期刊:《Modern Research in Catalysis》《China Petroleum Processing & Petrochemical Technology》《Transactions of Tianjin University》《Chinese Journal of Chemical Engineering》更多>>
相关基金:国家自然科学基金国家重点基础研究发展计划国家高技术研究发展计划天津市自然科学基金更多>>
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Evaluation of the ability of arsenic species to traverse cell membranes by simple diffusion using octanol-water and liposome-water partition coefficients被引量:4
《Journal of Environmental Sciences》2016年第11期222-232,共11页Teresa Chavez-Capilla William Maher Tamsin Kelly Simon Foster 
Arsenic metabolism in living organisms is dependent on the ability of different arsenic species to traverse biological membranes. Simple diffusion provides an alternative influx and efflux route to mediated transport ...
关键词:ArsenicLiposomesPartition coefficientsPassive simple diffusionTrivalent arsenic speciesThio-arsenic species 
Quantitative structure-property relationship of aromatic sulfur-containing carboxylates被引量:1
《Journal of Environmental Sciences》2003年第6期721-727,共7页LIUXin-hui YANGZhi-feng WANGLian-sheng 
TheMajorStateBasicResearchDevelopmentProgram(G19990 4 36 0 5 )
Based on quantum chemical calculations, TLSER model(theoretical linear solvation energy relationships) and atomic charge approach were applied to model the partition properties(water solubility and octanol/water parti...
关键词:octanol/water partition coefficient water solubility atomic charge model TLSER quantum chemical descriptor 
Predicting octanol/water partition coefficient using solvation free energy and solvent-accessible surface area
《Journal of Environmental Sciences》2001年第3期299-303,共5页LIU Xin hui, WU Chun de, HAN Shuo kui, WANG Lian sheng(State Key Laboratory of Pollution Control and Resource Reuse, Department of Environmental Science, School of the Environment, Nanjing University, Nanjing 210093, China. 
TheNationalNaturalScienceFoundationofChina (No .2 9837180 )andtheResearchFoundationfortheDoctoralProgramofHigherEducationofChi
The regression model for octanol/water partition coefficients ( K ow ), is founded with only two molecular descriptors available through quantum chemical calculations: solvation free energy (Δ G S ), and so...
关键词:solvation free energy solvent  accessible surface area quantum chemical descriptor 
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