| 磺酰胺类化合物的抑菌活性和量子化学计算 |
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| 引用本文： | 丁峰,张姝明,王瑾玲,缪方明,李爱秀.磺酰胺类化合物的抑菌活性和量子化学计算[J].天津师范大学学报(自然科学版),2002,22(1):6-10. |
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| 作者姓名： | 丁峰 张姝明 王瑾玲 缪方明 李爱秀 |
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| 作者单位： | 1. 天津师范大学化学与生命学院,天津,300074
2. 中国人民解放军武警部队医学院化学教研室,天津,300162 |
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| 基金项目： | 天津市 2 1世纪青年基金 (0 0 3 70 0 711)，天津市自然科学基金资助项目 (0 0 3 60 1711) |
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| 摘 要： | 利用单片纸碟法制定了4种磺酰类化合物对革兰氏阳性和阴性菌的抑制活性，测定结果与抑制ALS的活性结果相符，对4种磺酰胺类化合物进行了量化计算，讨论了前线轨道能量，原子净电荷等与活性的关系，推导出化合物的可能活性部位。
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| 关 键 词： | 磺酰胺类化合物 抑菌活性 量子化学计算 除草剂 前线轨道能量 原子净电荷 |
| 文章编号： | 1671-1114(2002)01-0006-05 |
Antibacterial Activity and Quantum Chemistry Calculation of Benzenylsulfonylamide Herbicides |
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| DING Feng ,ZHANG Shu ming ,WANG Jin ling ,MIAO Fang ming ,LI Ai xiu.Antibacterial Activity and Quantum Chemistry Calculation of Benzenylsulfonylamide Herbicides[J].Journal of Tianjin Normal University(Natural Science Edition),2002,22(1):6-10. |
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| Authors: | DING Feng ZHANG Shu ming WANG Jin ling MIAO Fang ming LI Ai xiu |
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| Institution: | DING Feng 1,ZHANG Shu ming 1,WANG Jin ling 1,MIAO Fang ming 1,LI Ai xiu 2 |
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| Abstract: | In this paper, the bacteriostatic activity tests on Escherichia coli and Staphylococcus aureus of 4 kinds of benzenylsulfonylamide compounds were carried out. HOMO-1, HOMO, LUMO, LUMO+1 and their energy were calculated on the SGI Indigo 2 work station. The quantum chemistry calculation data indicated that the relationships between the quantum chemistry parameters(orbital energy,atomic net charges and so on) and their activities are in agreement with the results of ALS. Possible Active of the compounds were determined. |
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| Keywords: | benzenylsulfonylamide compounds bacteriostatic activity quantum chemistry calculation |
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