中文摘要：

在模拟生理环境下，通过稳态荧光光谱、时间分辨荧光光谱、傅立叶变换红外光谱和三维荧光光谱等方法研究了5′-羟基-2,2′,4,4′,5-五溴二苯醚（5′-OH-BDE-99）与人血清白蛋白的结合特征，并结合分子对接与分子动力学模拟技术对其作用机制进行了分析。荧光光谱实验、非辐射能量转移理论及动力学模拟研究表明，5′-OH-BDE-99能使HSA 发生猝灭作用，且猝灭机制为静态猝灭。傅立叶变换红外光谱、三维荧光光谱及动力学模拟研究表明，5′-OH-BDE-99可诱导HSA构象和周围环境发生变化。此外，分子对接和热力学方法研究表明，二者间的主要作用力为疏水作用力。

英文摘要：

The primary objective of this study is to evaluate the binding characteristics of human serum albumin（HSA） and 5′-hydroxy-2,2′,4,4′,5-pentabromo diphenyl ether（5′-OH-BDE-99） in physiological conditions.Several spectroscopy techniques such as steady-state fluorescence spectroscopy,time-resolved fluorescence,FTIR and three-dimensional fluorescence spectrometry, combined with molecular docking and molecular dynamics simulation were employed to comprehensively analyze the mechanism of interaction between 5′-OH-BDE-99 and HSA.The results of fluorescence spectroscopy experiments,non-radiation energy transfer theory and dynamic simulation showed that 5′-OH-BDE-99 could quench the intrinsic fluorescence of HSA through static quenching mechanism.The experiments of FTIR,three-dimensional fluorescence spectra and dynamic simulation revealed that the binding of 5′-OH-BDE-99 to HSA could induce conformational and microenvironmental changes.Moreover,according to molecular docking and thermodynamic method,hydrophobic force is the main acting force.