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Correlation between Molecular Structures and Relative Elec-trophoretic Mobility in Capillary Electrophoresis: Alkylpyridines 预览 被引量:1
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作者 姚小军 范波涛 +4 位作者 DOUCETJ.P PANAYE,A. 刘满仓 张瑞生 胡之德 《中国化学:英文版》 SCIE CAS CSCD 2003年第10期 1247-1251,共5页
The quantitative relationship between relative electrophoretic mobility in capillary electrophoresis for a series of 31 closely re-lated 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 re-lated 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 at-traction 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 com-pounds. The method used in this work can also be extended to the mobility-structure relationship research of other com-pounds. 展开更多
关键词 分子结构 电泳迁移 毛细管电泳 羟基嘧啶 结构分析
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