臺灣博碩士論文加值系統

利用氧電極針對含硝基的芳香族化合物在不同濃度下對假單胞菌（ATCC 23973）分解碳源苯甲酸鈉的耗氧初始速率影響的偵測，得到各化合物的抑制常數Ki值。以此Ki抑制常數作為含硝基芳香族化合物對假單胞菌相對毒性的依據。藉著比較不同化合物相對毒性的大小，來評估含硝基芳香族化合物其結構對於假單胞菌毒性大小的影響。結果發現含硝基的芳香族化合物不管是苯系列、甲苯系列、苯胺系列及酚系列，當含氯取代基增加時，所得Ki值較小，代表相對毒性較大，但由於有些含硝基芳香族化合物會被微生物降解作用，所以會降低化合物的毒性。將實驗所求的Ki值與辛醇-水分配係數(logP)和最低未填滿分子軌域能量(LUMO)的建立一關係式log(1/Ki)=0.472MlogP-0.418Elumo-2.242作圖，並由此關係預測化合物對假單胞菌的抑制機制。將實驗結果與文獻中所得到方程式作一比較，得到良好的相關性，代表這套實驗系統可有效評估毒性化合物的毒性。

Acute toxicity of nitroaromatic compounds derived from benzene, toluene, aniline and phenol 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 in terms of oxygen uptake rates. By reciprocal of initial rate Vs substrate concentration, plots for the inhibition by these compounds of oxygen uptake in Pseudomonas, a physical constant, Ki, was obtained. While nitroaromatic compounds by microorganisms degradation can be descent toxicity.
Inasmuch as most compounds inhibit noncompetively, the relative toxicity of different compounds can be estimated by a new toxicity parameter RT(relative toxicity), which is defined as 100/Ki. In benzene and toluene series, compounds with nitro- and chloro-substituents were found more toxic than other substituted benzene and toluene. In phenol series, the analysis of compound toxicity was conducted. By correlation of log(1/Ki) with hydrophobic parameter(logP) and lowest unoccupied molecular orbital energy(LUMO), as shown in the following equation.
Log(1/Ki)=0.472MlogP-0.418Elumo-2.242

目 錄
謝誌．．．．．．．．．．．．．．．．．．．．．．．．． i
中文摘要．．．．．．．．．．．．．．．．．．．．．．．ii
英文摘要．．．．．．．．．．．．．．．．．．．．．．．iii
目錄．．．．．．．．．．．．．．．．．．．．．．．．．iv
表目錄．．．．．．．．．．．．．．．．．．．．．．．．vii
圖目錄．．．．．．．．．．．．．．．．．．．．．．．．viii
第一章 緒論．．．．．．．．．．．．．．．．．．．．．． ． 1
一、研究動機及目的．．．．．．．．．．．．．．．．．． ．． 1
1. 1研究動機．．．．．．．．．．．．．．．．．．．．．．．．1
1. 2研究目的．．．．．．．．．．．．．．．．．．．．．．．．1
二、研究背景．．．．．．．．．．．．．．．．．．．．．．．．2
三、假單胞菌的簡介．．．．．．．．．．．．．．．．．．．．．3
四、生物毒性的意義．．．．．．．．．．．．．．．．．．．．．4
五、毒性試驗的方法．．．．．．．．．．．．．．．．．．．．．4
5.1 非活體毒性測試．．．．．．．．．．．．．．．．．．．．．4
5.2 In Vitro毒性試驗與哺乳動物之相關性．．．．．．．．．．．5
六、結構─活性定量關係簡介．．．．．．．．．．．． ． ．．．5
七、生物毒性試驗方法的應用．．．．．．．．．．．．．．．．．8
第二章 文獻回顧．．．．．．．．．．．．．．．．．．．．． 9
第三章實驗．．．．．．．．．．．．．．．．．．．．．．．15
一、藥品．．．．．．．．．．．．．．．．．．．．．．．． ．15
二、儀器設備．．．．．．．．．．．．．．．．．．．．．．． 19
三、實驗內容．．．．．．．．．．．．．．．．．．．．．．． 20
(一) 細菌的培養及處理．．．．．．．．．．．．．．．．．．．20
(二) 氧電極的測試．．．．．．．．．．．．．．．．．．．． 22
(三) 數據的處理．．．．．．．．．．．．．．．．．．．． ． 26
第四章結果與討論．．．．．．．．．．．．．．．．．．．．31
一、結果
(一) 化合物的Ki值．．．．．．．．．．．．．．．．．．．．．31
(二) 化合物的毒性與構造．．．．．．．．．．．．．．．． ． 34
(三) 結構─活性定量關係．．．．．．．．．．．．．．．． ． 38
二、討論
(一)含硝基化合物毒性．．．．．．．．．．．．．．．．． ．．41
(二)氧電極測試法．．．．．．．．．．．．．．．．．．． ．．42
(三)Comparative QSAR．．．．．．．．．．．．．．．．． ．．42
(四)Comparative with Pimephales promelas．．．．．．． ．．44
結論．．．．．．．．．．．．．．．．．．．．．．．．．． ．45
參考文獻．．．．．．．．．．．．．．．．．．．．．．．． ．46
附錄-氧電極實驗圖表

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