应用基线效应判别剩余毒性:生物富集的影响
发布时间:2018-04-29 15:24
本文选题:生物富集 + 临界体内残余 ; 参考:《东北师范大学》2014年硕士论文
【摘要】:有机污染物在环境中的迁移、转化已经引起人们的重视,越来越多的人开始关注有机污染物对生物体的毒性机理。根据有机物毒性作用类型,可以将其分为非极性麻醉型(基线)化合物、极性麻醉型(弱惰性)化合物、反应型化合物和特殊作用型化合物,但如何详细准确的区分化合物毒性作用类型,目前还没有统一的定论,是当前毒性机理研究的热点问题之一。 毒性比率(TR)是区分麻醉型化合物和反应型化合物的有效工具,但是用毒性比率来区分麻醉型和反应型化合物很容易受到实验误差等因素的干扰,因此一些作者提出,应使用生物富集因子(BCF)计算得到的体内效应浓度或临界体内残差值来计算毒性比率值,但是目前还没有人研究生物富集因子在区分剩余毒性和基线效应中的影响。 本文收集了951种化合物对鱼的急性毒性数据(LC50)和1088种化合物的生物富集数据,根据化合物结构和官能团将其分为56类。以文献报道的基线和麻醉化合物为依据,选取典型基线化合物和弱惰性化合物,分别建立基线和弱惰性化合物的毒性与辛醇/水分配系数(logLCso-logKow)和生物富集因子与辛醇/水分配系数(logBCF-logKow)方程,根据方程计算所有化合物的毒性比率,从而研究化合物毒性比率和生物富集因子的关系。结果表明,大部分文献中普遍认为的反应型化合物均表现出剩余毒性,但有一部分反应型化合物却没有表现剩余毒性。研究生物富集对毒性比率的影响发现生物富集因子与毒性比率密切相关,对毒性比率会产生很大影响。用来区分反应型化合物和麻醉型化合物的真正剩余毒性应该以体内效应浓度为依据,而不是以体外效应浓度为依据。区分剩余毒性和基线效应是以logBCF和logKow的线性相关为基础的,但并不是所有化合物的logBCF都同logKow线性相关。当化合物的logKow7或0时,其生物富集因子会被基线BCF线性模型低估或高估。通过基线化合物的生物富集模型计算得到化合物的logBCF值,logBCF预测值的高估或低估可能会导致基线、弱惰性和反应性化合物的错误分类或错误预测。
[Abstract]:The migration and transformation of organic pollutants in the environment have attracted more and more attention, and more and more people have begun to pay attention to the toxic mechanism of organic pollutants to organisms. They can be classified into nonpolar anesthetic (baseline) compounds, polar anesthetic (weakly inert) compounds, reactive compounds and special acting compounds according to the type of toxic effects of organic compounds. However, there is no uniform conclusion on how to distinguish the toxicity types of compounds in detail and accurately, which is one of the hot issues in the study of toxicity mechanism. TRV is an effective tool for distinguishing anesthetic compounds from reactive compounds, but it is easy to be interfered by experimental errors by using toxicity ratios to distinguish anesthetic and reactive compounds. Therefore, some authors suggest, The bioconcentration or critical residual value should be used to calculate the toxicity ratio. However, no one has studied the effect of bioconcentration factor in distinguishing residual toxicity from baseline effect. The data of acute toxicity of 951 compounds to fish (LC50) and bioconcentration of 1088 compounds were collected and classified into 56 groups according to their structures and functional groups. Based on the reported baseline and anesthetic compounds, typical baseline compounds and weakly inert compounds were selected. The toxicity and octanol / water partition coefficients of baselines and weakly inert compounds, logLCso-logKowlogKowlogKowlogKowlogKowlol, and the bioconcentration factor and octanol / water partition coefficient logBCF-logKowo equations were established, respectively, and the toxicity ratios of all compounds were calculated according to the equations. The relationship between toxicity ratio and bioconcentration factor was studied. The results showed that most of the reactive compounds in the literature showed residual toxicity, but some of them showed no residual toxicity. The effect of bioconcentration on toxicity ratio is studied. It is found that bioconcentration factor is closely related to toxicity ratio and has great influence on toxicity ratio. The real residual toxicity used to distinguish reactive compounds from anesthetic compounds should be based on the concentration of in vivo effect rather than on the concentration of in vitro effect. The difference between residual toxicity and baseline effect is based on the linear correlation between logBCF and logKow, but not all compounds' logBCF is linearly correlated with logKow. When the logKow7 of the compound is 0, the bioconcentration factor is underestimated or overestimated by the baseline BCF linear model. The overestimation or underestimation of the logBCF value of the base compound obtained from the bioenrichment model of the baseline compound may lead to the misclassification or misprediction of the baseline, weak inertness and reactive compounds.
【学位授予单位】:东北师范大学
【学位级别】:硕士
【学位授予年份】:2014
【分类号】:X171.5
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