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| 研究生： |
王建智 Wang, Chien-Chih |
|---|---|
| 論文名稱： |
甲苯類化合物對假單胞菌之瞬時抑制作用與化合物結構關係 Quantitative Structure Activity Relationship for Inhibition Effects of Toluenes to Pseudomonas putida |
| 指導教授： |
黃得時
Huang, De-Shih 黃守仁 Huang, Thou-Jen |
| 學位類別： |
碩士 Master |
| 系所名稱： |
理學院 - 化學系碩士在職專班 Department of Chemistry (on the job class) |
| 論文出版年： | 2003 |
| 畢業學年度： | 91 |
| 語文別： | 中文 |
| 論文頁數： | 48 |
| 中文關鍵詞： | 定量結構活性關係 、假單胞菌 、甲苯類 |
| 外文關鍵詞： | Pseudomonas putida, Toluenes, QSARs |
| 相關次數： | 點閱：101 下載：1 |
| 分享至: |
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此次的研究使用氧電極偵測假單胞菌(ATCC 23973)在不同濃度的甲苯芳香族系列化合物之下對苯甲酸鈉的耗氧初始速率，而得到各化合物的Ki值。並由此Ki值去評估各種甲苯芳香族系列化合物的毒性大小。結果發現，化合物毒性隨著甲烷取代基增加而毒性上升，氯取代基也是如此。而甲苯芳香族化合物系列中，以苯胺系列毒性最小，酚次之。另外，假單胞菌可降解苯甲醛、苯甲酸系列化合物，其中以苯甲醛系列化合物尤其明顯。
此次的研究我們以logKi對MlogP及Elumo作迴歸分析，得到一個方程式：log1/Ki=－0.35(±0.04)ELUMO+0.35(±0.036)MlogP-1.98(±0.1)，R2=0.808；而在去除三點偏離點後，得到一個最佳公式：log1/Ki =－0.36 (±0.032 )ELUMO + 0.37 (±0.030) MlogP -2.04 (±0.078)；n = 42，R2 = 0.8889。
Acute toxicity of toluene series to Pseudomonas putida(ATCC 23973)was estimated by an initial oxygen uptake method. Inhibition studies of these compounds on the oxidation of benzoate by Pseudomonas putida were expressed as oxygen uptake rates.Double reciprocal plots for the inhibition by these compounds of oxygen uptake in Pseudomonas,a physical constant(Ki) was obtained.
Pseudomonas putida can degrade Benzaldehyde and Benzoic acid series compound. In toluene series,compound with NH2- and OH-substituent were found less toxicity than other substituted toluenes.
In this study,in correlation of log(1/Ki) with logP(logarithm of 1-octanol-water partition coefficient ) and LUMO(lowest unoccupied molecular orbital),the following one equation were obtained.
log1/Ki =－0.36 (±0.032 )ELUMO+0.37 (±0.030) MlogP -2.04 (±0.08)
n = 42，R2 = 0.8889，s = 0.15，F = 152.09
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校內：2004-08-19公開校外：2004-08-19公開