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A Study on Retention of a Series of Aromatic Compounds in Mixed Micellar Liquid Chromatography Using Linear Solvation Energy Relationship (LSER)

机译:利用线性溶剂能关系(LSER)研究混合胶束液相色谱中一系列芳族化合物的保留

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The effect of SDS (0.03-0.07 M) and Brij-35(0-0.003 M) concentrations and temperature on retention parameters of 30 solutes in micellar reversed- phase liquid chromatography systems were studied using salvation parameter model. The system constants were determined by multiple linear regression analysis from experimental values of the retention factors with known descriptors by computer using the program SPSS/PC. The experimental results showed that the variation in concentration of surfactants (SDS, Brij-35) changes the cavity formation (m) and hydrogen-bond acidity (b). The value of m decreases while the value of b increases as the SDS concentration increases. The value of m and b slightly decrease as the Brij-35 concentration increases. Variation of temperature (25-38℃) showed changes in cavity formation (m) and hydrogen-bond acidity (b). A comparison of the predicted and experimental retention factors indicated a satisfactory agreement between the two. Normalized residual plot showed that the contribution of the systematic modeling errors is approximately minor using the linear solvation energy relationship (LSER) equation. The value of cross-validated r~2 was 0.973.
机译:利用救星参数模型研究了SDS(0.03-0.07 M)和Brij-35(0-0.003 M)的浓度和温度对胶束反相液相色谱系统中30种溶质的保留参数的影响。通过使用程序SPSS / PC的计算机,通过具有已知描述符的保留因子的实验值,通过多元线性回归分析来确定系统常数。实验结果表明,表面活性剂(SDS,Brij-35)浓度的变化改变了空穴的形成(m)和氢键酸度(b)。随着SDS浓度的增加,m的值减小而b的值增大。随着Brij-35浓度的增加,m和b的值会略有下降。温度的变化(25-38℃)显示了空穴形成(m)和氢键酸度(b)的变化。预测保留因子和实验保留因子的比较表明,两者之间令人满意。归一化残差图显示,使用线性溶剂化能量关系(LSER)方程,系统建模误差的贡献很小。交叉验证的r〜2值为0.973。

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