应用基团贡献法关联抗生素的高效液相色谱的保留值

Correlation of HPLC Retention of Cephalosporins by Group Contribution Method

中文关键词:  基团贡献模型  头孢菌素  色谱保留值

英文关键词:group contribution model  cephalosporin  chromatographic retention

中文摘要:

      应用UNIFAC基团贡献模型计算了4种头孢菌素在ODS柱上及不同配比甲醇-水体系中的活度系数,采用多元线性回归法关联了头孢菌素-甲醇-水体系的反相高效液相色谱的保留值,可预测不同配比流动相下的容量因子,经验证实验值与计算值的相对误差小于10%.

英文摘要:

      The activity coefficients of four cephalosporins under different composition of mobile phase were forecasted by UNIFAC model. The relationships between chromatographic retention and activity coefficients were suggested by multiplex linear regression. The capacity factors of cephalosporins under different composition of mobile phase were predicted.The related errors between prediction ln k' and experiment ln k' were less than 10%.