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一种新的连接性指数被定义为:mQ=∑(ti*tj*tk*…)-0.5,其中的0Q,3Q与22种胺类化合物在3种固定相(OV-101,OV-225和NGA)下的Kováts指数(I)显著相关。它们的线性方程如下:IOV-101=118.341+197.854×0Q+448.773×3Q,r=0.973*!3;IOV-225=249.218+1 815.760×3Q+343.222×1Q,r=0.974 6;INGA=382.196+2 004.277×3Q+318.416×1Q,r=0.973 4。这些模型较好地解释了胺类化合物Kováts指数的递变规律,并用Jackknife方法对模型的稳健性进行了检验。

A novel connectivity index(mQ) is defined as mQ=∑(ti*tj*tk*…)-0.5 in this paper. 0Q and 3Q have very good correlation for Kováts indices of 22 amines on three stationary phases(OV-101,OV-225 and NGA).Their linear regression equations are proposed as follows:IOV-101=118.341+197.854×0Q+448.773×3Q, r=0.973 3; IOV-225=249.218+1 815.760×3Q+343.222×1Q, r=0.974 6; INGA=382.196+2 004.277×3Q+318.416×1Q, r=0.973 4. These models can better elucidate the change rule of Kováts indices for the amines. Furthermore, a modified Jackknife's test was performed to validate the model robustness.

参考文献

[1] WANG Lian-sheng,ZHI Zheng-liang,GAO Song-ting.Molecular structure and chromatographic retention. Beijing:Chemical Industry Press,1994.224-258王连生,支正良,高松亭. 分子结构与色谱保留. 北京:化学工业出版社,1994.224-258
[2] YANG Xue-jin,LI Yan-dong,WANG Shan-wei, et al. Chinese Journal of Chromatography,1996,14(2):86-90杨学谨,李延东,王善伟,等. 色谱,1996,14(2):86-90
[3] WANG Yue-song,ZHANG Jun,LIN Le-ming. Chinese Journal of Chromatography,1999,17(1):18-20王岳松,张军,林乐明. 色谱,1999,17(1):18-20
[4] LU Pei-zhang,DAI Chao-zheng,ZHANG Xiang-min. Basic theory of chromatography. Beijing:Chemical Industry Press,1998.180-263卢佩章,戴朝政,张祥民. 色谱基础理论. 北京:化学工业出版社,1998.180-263
[5] XU Lu.Stoichiometry methods. Beijing:Science Press,1995.287-356许禄. 化学计量学. 北京:科学出版社,1995.287-356
[6] QI Yu-hua,YANG Jia-an,XU Lu.Chinese Journal of Analytical Chemistry,2000,28(2):223-227齐玉华,杨嘉安,许禄. 分析化学,2000,28(2):223-227
[7] Randic M. J Amer Chem Soc ,1975,97(25):6*!609-6*!615
[8] Kier L B,Hall H. Molecular connectivity in chemistry and drug research. New York:Academic Press,1976.82
[9] Dietrich W S,Dreyer N D,Hansch C. J Med Chem,1980,23(11):1 201-1 205
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