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采用拓扑指数(mQ)、定位基参数(SOX)及固定液极性值(CP)与脂肪醇在6种固定相上的气相色谱保留指数值(RI)进行了相关分析,发现RI与上述参数间存在良好的相关性,其关系可表示为:RI=158·384+57·7220Q-12·0491Q+5·720SOX+5·756CP R=0·9913继以留一法(Leave-one-out,LOO)进行交互检验,相关系数RCV=0·9909。说明所建定量结构-保留关系(QSRR)模型具有良好的稳定性和预测能力,较好地揭示了脂肪醇类物质在不同固定相上气相色谱保留指数的变化规律。
Correlation analysis of topological index (mQ), orientation base parameter (SOX) and stationary phase liquid polarity (CP) with gas chromatography retention index (RI) of fatty alcohols on six stationary phases was carried out. It was found that RI correlated well with the above parameters There is a good correlation between the relationship can be expressed as: RI = 158 · 384 +57 · 7220Q-12 · 0491Q +5 · 720SOX +5 · 756CP R = 0.9913 Following the leave-one-out , LOO) for interaction test, the correlation coefficient RCV = 0. 9909. It shows that the QSRR model has good stability and predictive ability, and better reveals the change rule of the gas chromatographic retention index of aliphatic alcohols on different stationary phases.