Protonation state effect of estrogen receptor α on the recognition mechanisms by perfluorooctane sulfonate and perfluorooctanoic acid:A computational study
作者单位：Institute of Environment and HealthJianghan University State Key Laboratory of Environmental Chemistry and EcotoxicologyResearch Center for Eco-Environmental SciencesChinese Academy of Science
会议名称：《第二次全国计算毒理学学术会议暨中国毒理学会第一届计算毒理专业委员会第二次会议》
会议日期：2018年
学科分类：083001[工学-环境科学] 0830[工学-环境科学与工程（可授工学、理学、农学学位）] 07[理学] 08[工学] 09[农学] 0903[农学-农业资源与环境] 0713[理学-生态学]
关 键 词：estrogen receptor α perfluorooctanoic acid perfluorooctane sulfonate protonation state molecular dynamics simulation
摘 要：Perfluoroalkyl acids(PFAAs) including the perfluorocarboxylated acids(PFCAs) and perfluorosulfonatedacids(PFSAs) are a group of highly stable man-made compounds used in surfactants,fluorinated polymers,and fire-resistant *** to the stable carbon-fluorine bonds,PFAAs exhibit unique thermal and acid resistance and hydroand oleophobic properties in the environment..Perfluorooctanoic acid(PFOA) and