| 胺类化合物气相色谱保留指数与结构的相关性研究 |
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| 引用本文： | 齐玉华,杨嘉安,许禄.胺类化合物气相色谱保留指数与结构的相关性研究[J].分析化学,2000,28(2):223-227. |
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| 作者姓名： | 齐玉华 杨嘉安 许禄 |
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| 作者单位： | 中国科学院长春应用化学研究所,长春,130022 |
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| 基金项目： | 国家自然科学基金!29677016 |
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| 摘 要： | 应用Ａｍ指数和引力指数Ｇ１对在３种体系下的胺类化合物的气相色谱保留指数和结构进行了相关性研究,并运用最佳子变量集算法和人工神经网法进行了计算分析,在非极性固定相ＯＶ－１０１和极性固定相ＯＶ－２２５和ＮＧＡ下均获得了比较好的相关模型。
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| 关 键 词： | 拓扑指数 胺类化合物 气相色谱 保留指数 QSRR |
Correlation Analysis of the Structures and Gas-Liquid Chromatographic Retention Indices of Amines |
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| Qi Yuhua,Yang Jia'an,Xu Lu.Correlation Analysis of the Structures and Gas-Liquid Chromatographic Retention Indices of Amines[J].Chinese Journal of Analytical Chemistry,2000,28(2):223-227. |
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| Authors: | Qi Yuhua Yang Jia'an Xu Lu |
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| Abstract: | Quantitative structure-retention relationship(QSRR) was studied for amines to gas-liquid chromatography on three stationary phases of different polarities with the topological indices Am (Am1, Am2, Am3) and gravitational index C1. The algorithm of "Leaps and Bounds" was performed for selection of the variables. And the multi-regression and the quasi-Newton neural networks were employed for the calculation with better results. |
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| Keywords: | Topological indices gravitational index amines quantitative structure-retention relationship |
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