CAJ | 학술논문

应用定量结构-性质关系技术,通过对染料分子与牛血清蛋白的增强共振散射光谱的分析,研究了它们之间的相互作用.经过遗传算法对染料分子结构描述符的筛选,针对最大散射波长及其强度,分别采用了3个及6个染料分子结构描述符建立了两个定量结构-性质关系模型,进而推测染料分子与牛血清蛋白主要为分子间非化学键作用,染料分子被吸附于牛血清蛋白的表面.
응용정량결구-성질관계기술,통과대염료분자여우혈청단백적증강공진산사광보적분석,연구료타문지간적상호작용.경과유전산법대염료분자결구묘술부적사선,침대최대산사파장급기강도,분별채용료3개급6개염료분자결구묘술부건립료량개정량결구-성질관계모형,진이추측염료분자여우혈청단백주요위분자간비화학건작용,염료분자피흡부우우혈청단백적표면.
By applying quantitative structure property relationship (QSPR) techniques to the analysis of the enhanced resonance light scattering (RLS) of dye-bovine serum albumin (dye-BSA), the interaction between dye and BSA was investigated in this work. Selected by Genetic Algorithm, three structural descriptors of the dye mainly affecting the wavelength with the maximum enhanced RLS intensity of dye-BSA were selected and used in QSPR model-A, and six structural descriptors of dye influencing the maximum enhanced RLS intensity were selected and employed by QSPR model-B. According to the QSPR models established, we inferred that the interaction between the dye and BSA came from intermolecular forces and the dye molecules were adsorbed on the surface of BSA.