Abstract:

In order to study retention index and aromatic characteristics of volatile components in essential oil from pomelo peel, a quantitative structure-retention relationship (QSRR) model using topological index was developed to predict gas chromatographic retention index (RI) of volatile components in essential oil. A correlation coefficient (r) was obtained to be 0.940 with an average error of 3.53% through a stepwise selection of variables and multiple linear regression method. However, the correlation coefficient was obtained to be 0.702 through QSPR model based on multiple regressions. These results indicate that the aromatic values exhibit a good linear relationship with RI using QSRR model, which can provide a better elucidation for a gradation rule for the properties of the volatile components in essential oil.

Key words: pomelo, volatile components, aromatic value, retention index, topological index, QSRR