包装与食品机械Issue(5):13-17,5.DOI:10.3969/j.issn.1005-1295.2014.05.004
白毛银露梅挥发性组分色谱保留时间的预测
Prediction of Chromatographic Retention Time of Volatile Compounds in Potentilla glabra var.mandshurica Maxim
摘要
Abstract
Based on the molecular shape indexn K,Kier’s molecular valence connectivity index m Xt V ,at-om-type electrotopological state index Ek ,a quantitative structure-retention relationship between n K,m Xt V ,Ek and chromatographic retention time t of volatile components from Potentilla glabra var.mandshurica Maxim is developed by using multiple linear regression and Leaps-and-Bounds regression respectively.The robustness of the regression model was validated by Jackknife method.The present study demonstrates can better elucidate the change rule of chromatographic retention time for volatile compounds from Potentilla glabra var.mandshuri-ca Maxim.关键词
白毛银露梅/挥发性组分/色谱保留时间/分子形状指数/Kier分子价连接性指数Key words
Potentilla glabra var.mandshurica Maxim/volatile compounds/chromatographic retention time/molecular shape index/Kier’s molecular valence connectivity index分类
轻工纺织引用本文复制引用
冷检,秦文斌,秦正龙..白毛银露梅挥发性组分色谱保留时间的预测[J].包装与食品机械,2014,(5):13-17,5.基金项目
江苏省高校自然科学基金 ()