title: Mathematical model for cyclodextrin alteration of bioavailability of organic pollutants.
abstract: 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. Cyclodextrin 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.
authors.affiliation: Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.
authors.forename: Huihui
authors.initials: H
authors.lastname: Liu
authors.forename: Xiyun
authors.initials: X
authors.lastname: Cai
authors.forename: Jingwen
authors.initials: J
authors.lastname: Chen
mesh_terms: D000327:Adsorption; D000818:Animals; D001682:Biological Availability; D048408:Chlorella vulgaris / Q000187:drug effects; D003198:Computer Simulation; D003505:Cyclodextrins / Q000737:chemistry / Q000493:pharmacokinetics*; D004785:Environmental Pollutants / Q000737:chemistry / Q000493:pharmacokinetics* / Q000633:toxicity; D008962:Models, Theoretical; D010575:Pesticides / Q000493:pharmacokinetics* / Q000633:toxicity; D012989:Soil Pollutants / Q000493:pharmacokinetics; D018675:Toxicity Tests / Q000379:methods; D015027:Zebrafish
chemical_list: D003505:Cyclodextrins; D004785:Environmental Pollutants; D010575:Pesticides; D012989:Soil Pollutants