邻苯二甲酸二甲酯与小牛胸腺DNA的沟槽结合  

Groove binding mode of dimethyl phthalate with calf thymus DNA

作　　者：李松[1] 张国文[1] LI Song ZHANG Guowen(State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047, Chin)

机构地区：[1]南昌大学食品科学与技术国家重点实验室,江西南昌330047

出　　处：《南昌大学学报（工科版）》2016年第3期230-234,239,共6页Journal of Nanchang University(Engineering & Technology)

基　　金：国家自然科学基金资助项目(31460422;21167013);江西省自然科学基金资助项目(20143ACB20006);食品科学与技术国家重点实验室目标导向课题(SKLF-ZZA-201612)

摘　　要：在生理酸度(p H 7.4)条件下,应用紫外-可见吸收光谱、化学计量学法、荧光光谱法以及分子模拟技术研究了邻苯二甲酸二甲酯(DMP)与小牛胸腺DNA(ct DNA)的相互作用。化学计量学多元曲线分辨-交替最小二乘法(MCR-ALS)分析DMP-ct DNA混合物的紫外光谱数据矩阵,获得的组分浓度变化显示,DMP与ct DNA发生相互作用并形成了DMP-ct DNA复合物。荧光滴定实验结果表明:ct DNA通过单一的静态猝灭方式导致DMP内源荧光猝灭。计算出的热力学参数焓变(ΔH°=-12.75 k J·mol-1)和熵变(ΔS°=22.73 J·mol-1·K-1)值表明,氢键与疏水作用是DMP与ct DNA相互作用的主要驱动力。ct DNA黏度、熔点以及单双链DNA猝灭实验证实DMP与ct DNA通过沟槽模式结合。The interaction between a potential carcinogen,dimethyl phthalate（ DMP） and calf thymus DNA（ ct DNA） in simulative physiological buffer（ p H 7. 4） was investigated by UV-vis absorption spectroscopy,fluorescence spectroscopy,chemometrics multivariate curve resolution-alternating least squares（ MCR-ALS） and molecular simulation technique. The data matrix obtained from UV-vis spectra was resolved by MCR-ALS approach,indicating that the DMP-ct DNA complex was formed. The result of fluorescence titrations suggested that the fluorescence quenching of DMP by ct DNA was considered as a static quenching procedure. The values of enthalpy change（ ΔH°=- 12. 75 k J·mol- 1） and entropy change（ ΔS° = 22. 73 J·mol- 1·K- 1） were calculated via van＇t Hoff equation,which indicated that the main driving forces were hydrophobic interaction and hydrogen bonds. Furthermore,the groove binding mode between DMP and ct DNA was proved by viscosity measurements,melting studies and comparison interactions of native and denatured ct DNA with DMP.

关 键 词：邻苯二甲酸二甲酯 小牛胸腺DNA 结合模式 化学计量学 分子模拟 

分 类 号：O657.3[理学—分析化学]