以密閉式藻類毒性試驗研究 α,β-不飽和醛類之定量結構－活性關係

Abstract

本研究使用是單細胞綠藻類 - 月芽藻 ( Pseudokirchneriella subcapitata ) 為毒性測試物種，以反應性物質α,β-不飽和醛作為測試毒物。並以三個反應終點 ( △ DO、Final Yield、Growth Rate ) 於密閉式系統中進行毒性測試將此類化合物之物化特性或結構，與毒性建立統計上的關係- QSAR探討α,β-不飽和醛對生物體造成毒性的作用機制。 親電性參數Log ( 1/RC50 ) 與親脂性參數 Log Kow 對於α,β-不飽和醛藻類毒性有良好相關性，證明α,β-不飽和醛造成藻類毒性機制為不飽和π鍵與藻類中親核試劑作用 ( 如：穀胱甘肽；GSH ) ；以及α,β-不飽和醛侵入藻類細胞膜中造成毒性。 具反應性的α,β-不飽和醛對於月芽藻之毒性數據可使反應性有機物建立更完整毒性數據系統，增加反應性有機物數據庫完整性。此數據庫資料可運用QSAR系統來預測其他α,β-不飽和醛類的毒性，並且簡單而迅速的推估出同類有機物質之毒性，不僅可節省龐大經費，亦可省下許多的時間及人力。 關鍵字：α,β-不飽和醛類、月芽藻、QSAR、反應性有機物

A single-cell green algae (Pseudokirchneriella subcapitata) for the toxicity testing species to α,β-unsaturated carbonyl compounds as a test toxic in three reaction endpoints (ΔDO, Final Yield, Growth Rate) on closed system for toxicity testing. The results of QSAR in three reaction endpoints : Log (1/EC50) = 0.965 + 0.968 Log(1/RC50) +0.169 LogKOW r2=0.806 (Δ DO), Log (1/EC50) = 1.200 + 1.000 Log(1/RC50) + 0.113 LogKOW r2=0.832 (Final Yield), Log(1/ EC50) = 0.985 + 0.997 Log(1/RC50) + 0.075 LogKOW r2=0.854(Growth Rate). The QSAR of α,β-unsaturated carbonyl compounds not only predict other a,b-unsaturated carbonyl compounds which untested but also provide tools capable of the rapid screening of chemicals for potential hazards. Most α,β-unsaturated carbonyl compounds are more than 1, that the toxicity of the reactive compounds are more intense than baseline toxicity. Algae toxicity data on Pseudokirchneriella subcapitata of α,β-unsaturated carbonyl compounds make more complete to toxicity datas of reactive organic chemicals.

Keywords: α,β-unsaturated aldehydes, Pseudokirchneriella subcapitata, QSAR, reactive organic