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在pH7.4Tris-HCl缓冲条件下,应用多种光谱学方法并结合化学计量学多元曲线分辨-交替最小二乘法(MCR-ALS)、DNA熔点测量、粘度分析以及分子模拟技术,研究了环境雌激素双酚A(BPA)与小牛胸腺DNA(ctDNA)的相互作用。由MCR-ALS解析扩展的紫外光谱数据矩阵,得到了3个反应组分(BPA、ctDNA及BPA-ctDNA复合物)的相对浓度及其光谱曲线,可评估BPA与ctDNA相互作用进程。BPA引起ctDNA熔点和粘度升高、与吖啶橙竞争结合ctDNA表明BPA通过嵌插模式与ctDNA作用。傅里叶红外光谱研究显示,BPA主要结合在ctDNA的A,T碱基富集区,这与分子模拟结果一致。圆二光谱分析表明,BPA与ctDNA作用诱导ctDNA的结构由B构象向A构象转变。
Under the condition of pH7.4 Tris-HCl buffer, a variety of spectroscopic methods were used in combination with chemometrics multivariate curve resolution-alternating least squares (MCR-ALS), melting point of DNA, viscosity analysis and molecular simulation Interaction between hormone bisphenol A (BPA) and calf thymus DNA (ctDNA). The relative concentrations of the three reaction components (BPA, ctDNA and BPA-ctDNA complexes) and their spectral curves were obtained from the extended UV spectral data matrix by MCR-ALS to assess the interaction between BPA and ctDNA. BPA caused ctDNA melting point and viscosity increase, in competition with acridine orange ctDNA shows that BPA through clumping mode and ctDNA role. Fourier transform infrared spectroscopy showed that BPA mainly binds to the A, T basement region of ctDNA, which is consistent with the molecular simulation results. Circular dichroism analysis indicated that the structure of ctDNA induced by BPA and ctDNA changed from B conformation to A conformation.