【摘要】 研究贺兰山东麓地区霞多丽干白葡萄酒香气成分的保留性质,在拓扑理论基础上,利用分子图形学技术获得了修正的连接性指数mX,并利用程序计算了电拓扑状态指数,基于多元回归方法获得了对霞多丽干白葡萄酒香气成分的保留时间(tR)进行预测的定量结构-保留相关模型,回归方程的相关系数为0.974。结果表明,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。更多还原

【Abstract】 The retention properties of the flavoring compounds of Chardonnay dry white grape wine (Chardonnay produced in Helan Mountain) were studied. Based on the molecular topological thoery,we calculated atomic characteristic value by the technique of molecule graphics to acquire amended connectivity index mX,and then we calculated electrotopological state index by the sequence. Quantitative structure-retention relationships (QSRR)model for predicting retention time (tR)of the flavoring compounds of dry white grape wine was finally obtained based on multiple regression,the regression equations were proposed and the correlation coefficient was 0.974. The results showed that QSRR model had good stability and predictability.更多还原