摘要
模拟人体生理条件(pH=7.4),用荧光光谱法结合多元曲线分辨-交替最小二乘法(MCR-ALS)研究盐酸克伦特罗(Clen)与牛血清白蛋白(BSA)的相互作用。实验采用同一滴加模式及荧光和紫外光谱方法研究盐酸克伦特罗与BSA的相互作用,对经典的荧光和紫外光谱数据矩阵加以扩展,增加实验数据的信息量;由渐进因子分析法(EFA)得到的因子数和体系中各组分的浓度初值后,应用MCR-ALS对该扩展的2种光谱矩阵进行迭代计算,较好地分辨出传统方法无法得到的动态作用中各种物质的光谱图和浓度变化趋势图,并根据浓度趋势图计算出Clen与BSA的表观结合常数和结合比,结果与用双对数方程得到的结合常数和作用位点数吻合。通过同步荧光光谱法进一步发现克伦特罗对BSA的构象有一定的影响。
Under the imitated physiological conditions（pH=7.4）,the interaction between clenbuteral（Clen） and bovine serum albumin（BSA） was investigated by the fluorescence and UV-vis spectroscopy using the multivariate curve resolution-alternating least squares method（MCR-ALS）.In this work,two different kinds of spectral methods with the same titration mode carried out.The two spectral data matrices were augmented and EFA was utilized to this data matrix to gain the factors and the initial estimate of the concentration profiles,then MCR-ALS constrained optimization was applied.The concentration profiles and pure spectra for each species,the calculation of the ： molar ratio in the complex and the apparent equilibrium constant were extracted.The binding constants Ka and the number of binding sites n were also evaluated from the double-logarithm curve.The recovered information compared MCR-ALS with the conventional method showed that the application of the chemometrics approach could lead to satisfactory spectral data interpretation and to obtain the qualitative and quantitative information which was difficult obtained conventionally.
出处
《南昌大学学报（理科版）》
CAS
北大核心
2010年第2期150-155,共6页
Journal of Nanchang University(Natural Science)
基金
国家自然科学基金资助项目(20562009)
南昌大学食品科学与技术国家重点实验室项目(MB-200807TS-200919)
