Abstract

The chromatographic analysis of a number of β-blockers on different thin-layer chromatography (TLC) systems was carried out. The analysis was done on three different systems, namely normal phase, paraffin oil impregnated in methylene chloride and n-hexane as two types of reversed phase systems. This represents an economic and environmental approach pathway for the determination of four solvents systems of two components were used to get the retention parameters and the pH was adjusted using ammonia and glacial acetic acid. Quantitative structure–retention relationship (QSRR) was applied to the different phases and 315 molecular descriptors has been calculated for each β-blocker. A contingency analysis has been used to declare the highest correlation between the chromatographic retention and the calculated descriptors, which resulted in obtaining different models for each system used. The produced models correlate the predicted retention to the experimental one in a significant way which could be useful for the future behavior prediction of this group of β-blockers against normal and reversed phase TLC systems.

摘要

在不同的薄层色谱（TLC）系统上进行了多种β受体阻滞剂的色谱分析。分析是在三种不同的系统上进行的，即正相，石蜡油浸在二氯甲烷和正己烷中作为两种类型的反相系统。这代表了确定两种成分的四种溶剂系统的经济和环境方法途径，以获取保留参数，并使用氨水和冰醋酸调节pH值。定量结构-保留关系（QSRR）被应用于不同的相，并且已经为每种β-受体阻滞剂计算了315个分子描述子。权变分析已被用来声明色谱保留度和计算出的描述符之间的最高相关性，这导致为每个使用的系统获得不同的模型。产生的模型以显着的方式将预测的保留值与实验值相关联，这对于将来针对这组β受体阻滞剂针对正相和反相TLC系统的行为预测很有用。