臺灣博碩士論文加值系統

本研究以月芽藻為試驗物種進行密閉式藻類毒性試驗，以溶氧變化量（ΔDO）、最終細胞產量（Final Yield）及生長率（Growth Rate）為反應終點，評估親電性物質－α,β-不飽和酯類（丙烯酸酯類及甲基丙烯酸酯類）之毒性，並以穀胱甘肽（GSH, Glutathione）為親核示劑，與化合物進行反應性試驗，以求得之反應常數kGSH，與log kOW探討對毒性之影響，並建立定量結構－活性關係（QSAR, Quantitative Structure-Activity Relationship）。

試驗結果中以反應終點Final Yield最為敏感，與其他試驗物種比較亦如此。由QSAR之結果顯示，甲基丙烯酸酯類（扣除反應性高甲基丙烯酸乙烯酯）以log kOW為參數適合度最佳，r2(adj)、Q2分別為0.864～0.941及0.810～0.893；丙烯酸酯（丙烯酸酯類與甲基丙烯酸酯類）以log kOW與log kGSH為參數適合度最佳，r2(adj)、Q2分別為0.885～0.895及0.823～0.835，移除Outlier（log kOW為負值之2-Hydroxyethyl acrylate）後之r2(adj)、Q2分別提升為0.914～0.935及0.879～0.923。而以藻類毒性預測鰷魚毒性之r2(adj)、Q2分別為0.808～0.815及0.688～0.692，預測纖毛蟲毒性之r2(adj)、Q2分別為0.714～0.787及0.645～0.752。

摘要 i
Abstract ii
致謝 iii
目錄 iv
表目錄 vi
圖目錄 vii
符號說明 viii
第一章 前言 1
1.1 研究緣起 1
1.2 研究目的 2
1.3 研究架構 3
第二章 文獻回顧 4
2.1 丙烯酸酯之介紹 4
2.1.1 基本特性 4
2.1.2 應用 7
2.1.3 毒理性質 7
2.2 定量結構－活性關係（QSAR） 10
2.2.1 起源 10
2.2.2 毒性作用機制 11
2.2.3 反應性－親電性作用機制 12
2.2.4 丙烯酸酯之QSAR 13
2.2.5 QSAR建立之必要條件 16
2.3 藻類毒性試驗 17
2.3.1 月芽藻之介紹 17
2.3.2 藻類生長測定方法 18
2.3.3 藻類毒性試驗方法 18
2.3.4 試驗中之重要參數 20
第三章 基本原理 23
3.1 基本生長動力學 23
3.2 毒性物質之濃度反應關係模式 25
第四章 材料與方法 26
4.1 實驗設備與材料 26
4.2 實驗方法 30
4.2.1 藻類毒性試驗 30
4.2.2 化學反應性試驗 36
4.2.3 實驗數據之處理 38
第五章 結果與討論 40
5.1 藻類毒性試驗 40
5.1.1 毒性結果與風險評估 40
5.1.2 低濃度之影響及比較 42
5.1.3 與其他試驗物種之比較 45
5.2 反應性試驗 53
5.3 反應性及疏水性對毒性之影響 55
5.3.1 基線毒性 55
5.3.2 化學結構、反應性及疏水性與毒性之關係 58
5.4 QSAR模式之建立 62
5.4.1 參數選用 62
5.4.2 疏水性參數 63
5.4.3 反應性參數及其他參數 64
第六章 結論與建議 69
6.1 結論 69
6.2 建議 70
參考文獻 71
附錄一 藻類毒性試驗結果 78
附錄二 反應性試驗結果 96

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