| 含硫(氧)肟醚化合物杀虫活性三维定量构效关系研究 |
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| 引用本文： | 柳爱平,陆爱军,黄明智,陈灿,刘兴平,刘钊杰,姚建仁. 含硫(氧)肟醚化合物杀虫活性三维定量构效关系研究[J]. 高等学校化学学报, 2005, 26(3): 464-466 |
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| 作者姓名： | 柳爱平 陆爱军 黄明智 陈灿 刘兴平 刘钊杰 姚建仁 |
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| 作者单位： | 1. 华中师范大学有机合成研究所,武汉 430079;2. 国家南方农药创制中心湖南基地湖南化工研究院,长沙 410007;3. 中国科学院过程工程研究所,北京 100080;4. 中国农业科学院植物保护研究所,北京 100094 |
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| 基金项目： | 湖南省自然科学基金;国家自然科学基金 |
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| 摘 要： | 打破文献[1～3]中芳基烷基肟醚化合物的结构框架，将杂原子硫(氧)引入到其烷基中，设计并合成了一系列全新结构的含硫(氧)肟醚化合物．其生物活性研究结果表明，该系列化合物具有优良的杀鳞翅目、同翅目和直翅目等害虫的作用，且具有拟除虫菊酯农药快速击倒的活性特点．
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| 关 键 词： | 含硫(氧)肟醚化合物 三维定量构效关系(3D-QSAR) 比较分子力场分析(CoMFA) |
| 文章编号： | 0251-0790(2005)03-0464-03 |
| 收稿时间： | 2003-12-05 |
3D-Quantitative Structure-activity Relationship of Insecticidal Oxime-ether Compounds Containing Sulfur(Oxygen) |
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| LIU Ai-Ping,LU Ai-jun,HUANG Ming-zhi,CHEN Can,LIU Xing-Ping,LIU Zhao-jie,YAO Jian-Ren. 3D-Quantitative Structure-activity Relationship of Insecticidal Oxime-ether Compounds Containing Sulfur(Oxygen)[J]. Chemical Research In Chinese Universities, 2005, 26(3): 464-466 |
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| Authors: | LIU Ai-Ping LU Ai-jun HUANG Ming-zhi CHEN Can LIU Xing-Ping LIU Zhao-jie YAO Jian-Ren |
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| Affiliation: | 1. Institute of Organic Synthesis, Center China Normal University, Wuhan 430079, China;2. Hunan Research Institute of Chemical Industry, Hunan Branch of National Pesticide R & D South Center, Changsha 410007, China;3. Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100080, China;4. Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100094, China |
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| Abstract: | The quantitative relationship between the structure of oxime-ether compounds containing sulfur(oxygen) and their insecticidal activity against leafhopper was studied by comparative molecular field analysis(CoMFA). The results showed that the contributions of steric and electrostatic fields to the activity were 47.5% and 52.5%, respectively. The coefficient q2 of cross validation and the relation coefficient r2 of non-cross validation for the model established by the study were 0.628 and 0.971, respectively, its F value was 133.840 and the standard deviation was 0.109. These values indicated that the model might have a good predictability. The contour maps of the model will give the basis on the structure modification. |
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| Keywords: | Oxime-ethers containing sulfur(oxygen) 3D-QSAR CoMFA |
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