| 使用本征值方法研究抗氧化剂的构效关系 |
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| 引用本文： | 孔德信,江涛,阎作伟,管华诗.使用本征值方法研究抗氧化剂的构效关系[J].高等学校化学学报,2004,25(4):713-716. |
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| 作者姓名： | 孔德信 江涛 阎作伟 管华诗 |
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| 作者单位： | 中国海洋大学海洋药物与食品研究所, 青岛 266003 |
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| 基金项目： | 国家自然科学基金 (批准号 :2 0 3 710 43 )资助 |
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| 摘 要： | 利用本征值(EVA)方法对一组分子多样性较大的酚类或苯胺类抗氧化剂进行了理论研究,在未采用任何实验数据的情况下,研究结果接近于文献报道的QSAR模型,表明EVA方法是研究抗氧化剂抗氧化活性构效关系的良好工具.
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| 关 键 词： | 抗氧化剂 定量构效关系 本征值方法(EVA) |
| 文章编号： | 0251-0790(2004)04-0713-04 |
| 收稿时间： | 2003-04-28 |
Studies on Relationship Between Structure and Antioxidant Activity Using Eigen Value Method |
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| KONG De-Xin,JIANG Tao ,YAN Zuo-Wei,GUAN Hua-Shi.Studies on Relationship Between Structure and Antioxidant Activity Using Eigen Value Method[J].Chemical Research In Chinese Universities,2004,25(4):713-716. |
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| Authors: | KONG De-Xin JIANG Tao YAN Zuo-Wei GUAN Hua-Shi |
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| Institution: | Marine Drug and Food Institute, Ocean University of China, Qingdao 266003, China |
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| Abstract: | Antioxidants are of great interest because of their involvement in important biological and industrial process. It′s meaningful to study the quantative structure-activity relationship (QSAR) and design novel, efficient, low-toxicity antioxidant. In this article, using eigen values (EVA) method, the QSAR of a group of antioxidants was firstly studied. Without any experimental parameters, we got a QSAR model that is as good as the one reported earlier. Moreover, it′s the first time to use EVA method to study the relationship between the structure and antioxidant activity. And also we believe that EVA will be an efficient approach to study the relationship of QSAR of antioxidants. |
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| Keywords: | Antioxidant QSAR Eigen value method(EVA) |
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