| 应用分子电距矢量对地笋中挥发油化学成分色谱保留值分析 |
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| 引用本文： | 杨娟,梅虎,舒茂,廖立敏,朱万平,李志良.应用分子电距矢量对地笋中挥发油化学成分色谱保留值分析[J].化学分析计量,2007,16(5):23-25. |
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| 作者姓名： | 杨娟 梅虎 舒茂 廖立敏 朱万平 李志良 |
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| 作者单位： | 1. 重庆大学化学化工学院,重庆,400044
2. 重庆大学化学化工学院,重庆,400044;重庆大学生物工程学院,重庆,400044 |
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| 基金项目： | 国家“春晖计划”教育部启动基金(批准号:99-4-4 37:99-4-4 99-3-7)，霍英东基金(1998-7-6) |
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| 摘 要： | 采用分子电性距离矢量(MEDV)表征地笋中挥发油化学成分的分子结构,并对其气相色谱保留时间进行了系统的定量结构-色谱保留关系(QSRR)研究。在变量筛选的基础上建立了多个挥发油化学成分QSRR模型,相关系数均在0.90以上。通过严格的统计检验表明所建模型具有良好的稳定性与预测能力。
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| 关 键 词： | 分子结构表征 分子电性距离矢量 定量结构-保留关系 |
| 修稿时间： | 2007年6月25日 |
EXPLORATION OF GAS CHROMATOGRAPHIC RETENTION INDICES OF RHEZOMA LYCOPI BY MOLECULAR ELECTRONEGATIVITY-DISTANCE VECTOR |
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| Yang Juan,Mei Hu,Shu Mao,Liao Limin,Zhu Wanping,Li Zhiliang.EXPLORATION OF GAS CHROMATOGRAPHIC RETENTION INDICES OF RHEZOMA LYCOPI BY MOLECULAR ELECTRONEGATIVITY-DISTANCE VECTOR[J].Chemical Analysis And Meterage,2007,16(5):23-25. |
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| Authors: | Yang Juan Mei Hu Shu Mao Liao Limin Zhu Wanping Li Zhiliang |
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| Institution: | 1.College of Chemistry and Chemical Engineering,Chongqing University,Chongqing 400044,China;2.College of Life Science and Biological Engineering,Chongqing University,Chongqing 400044,China |
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| Abstract: | The molecular electronegativity-distance vector (MEDV) was used to describe the chemical structure of components of volatile oil, and their gas chromatographic retention indices for the quantitative structure-retention relationship (QSRR) were studied. Chemical constituents of volatile oil QSRR model variated screening were established on the base of the variate variable.The correlation coefficients were move than 0.90. Through a rigorous statistical tests,the results show that the models can provide estimation stability and favorable predictive ability. |
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| Keywords: | molecular structure characterization molecular electronegativity-distance vector (MEDV) quantitative structure-retention relationship |
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