Mathematical Model for Cyclodextrin Alteration of Bioavailability of Organic Pollutants
Mathematical Model for Cyclodextrin Alteration of Bioavailability of Organic Pollutants
复制标题
环糊精改变有机污染物生物利用度的数学模型
DOI：
10.1021/es303724b
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发表时间：
2013-06-04
影响因子：
11.4
通讯作者：
Chen, Jingwen
中科院分区：
文献类型：
--
作者：
Liu, Huihui;Cai, Xiyun;Chen, Jingwen
虽然已经开发了许多基于环糊精的应用来评估或增强有机污染物的生物利用度，但环糊精（CD）的选择很大程度上是；经验性的，很少考虑污染物多样性和环境基质效应。本研究旨在开发一个数学模型来量化有机污染物生物利用度的 CD 变化。环糊精似乎具有多种作用，共同增强了其生物利用度。环糊精不同程度地吸附到吸附剂基质上。吸附的CD能够隔离有机污染物，突出了类似于固体环境基质的假相的作用。水性CD可以通过包合络合减少有机污染物的吸附。这两种效应在一定程度上相互抵消，从而决定了有机污染物的溶解水平（包括自由溶解形式和CD包含形式）。此外，CD包含形式的生物活性与游离形式几乎相同。推导了一个变量（即 CD 浓度）的数学模型，以量化 CD 对有机污染物生物利用度的影响。模型分析表明，CD 对有机污染物生物利用度的改变取决于 CD（类型和水平）和环境基质。给定应用的CD类型和修改水平的选择可以通过模型来预测。
While many cyclodextrin-based applications have been developed to assess or enhance bioavailability of organic pollutants, the choice of cyclodextrin, (CD) is largely; empirical, with little consideration of pollutant diversity and environmental matrix effects. This study aimed at developing a mathematical model for quantifying CD alteration of bioavailability of organic pollutants. Cyclodextrin appears to have multiple effects, together, contributing to its bioavailability-enhancing property. Cydodextrin is adsorbed onto the adsorbent matrix to different extents. The adsorbed CD is capable of sequestrating organic, pollutants, highlighting the role of a pseudophase similar to solid environmental matrix. Aqueous CD can reduce adsorption of organic pollutants via inclusion complexation. The two effects cancel each other to a certain degree, which determines the levels of organic pollutants dissolved (comprising freely dissolved and CD-included forms) Additionally, the CD-included form is nearly identical in biological activity to the free form. A mathematical model of one variable (i.e., CD concentration) was derived to quantify effects of CD on the bioavailability of organic pollutants. Model analysis indicates that alteration of bioavailability of organic pollutants by CD depends on both CD (type and level) and environmental matrix. The selection of CD type and amendment level for a given application may be predicted by the model.