The quantitative relationship between relative electrophoretic mobility in capillary electrophoresis for a series of 31 closely related alkylpyridines and their molecular structures was studied by using CODESSA. Acco...The quantitative relationship between relative electrophoretic mobility in capillary electrophoresis for a series of 31 closely related alkylpyridines and their molecular structures was studied by using CODESSA. According to the t test on the results, we found that the three most important descriptors affecting the mobility are the relative number of rings ( NR ), Min e n attraction for a C—N bond ( MEN ) and average complementary information index (ACIC) . With these structure descriptors a good three parameter linear model was developed to correlate the mobility of these compounds with their structures. This model can not only correctly predict the migration behavior of these compounds, but also find the structural factors which are responsible for the migration behavior of these compounds, thus can help to explain the separation mechanism of these compounds. The method used in this work can also be extended to the mobility structure relationship research of other compounds.展开更多
文摘The quantitative relationship between relative electrophoretic mobility in capillary electrophoresis for a series of 31 closely related alkylpyridines and their molecular structures was studied by using CODESSA. According to the t test on the results, we found that the three most important descriptors affecting the mobility are the relative number of rings ( NR ), Min e n attraction for a C—N bond ( MEN ) and average complementary information index (ACIC) . With these structure descriptors a good three parameter linear model was developed to correlate the mobility of these compounds with their structures. This model can not only correctly predict the migration behavior of these compounds, but also find the structural factors which are responsible for the migration behavior of these compounds, thus can help to explain the separation mechanism of these compounds. The method used in this work can also be extended to the mobility structure relationship research of other compounds.
