title: Influence of cyclodextrin complexation on the Vibrio fischeri toxicity of phenylsulfonyl carboxylates.
abstract: This paper describes the research about the beta -cyclodextrin influence on Vibrio fischeri toxicity of 10 phenylsulfonyl carboxylates. It is illustrated that the formation of 1:1 cyclodextrin-solute inclusion complexes dominates the toxicity influence of phenylsulfonyl carboxylates to Vibrio fischeri and greatly weakens the toxicity level. Using the octanol-water partition coefficients lg KOW, the grouped electrotopological state (E-state) index S(> SO2) and the stability constants of inclusion complexes lg KS, three models with high squared correlation coefficients r2adj at 0.908, 0.951 and 0.917, respectively were constructed to evaluate the beta-cyclodextrin influence on Vibrio fischeri toxicity. For the type of phenylsulfonyl carboxylates, the inclusion stability constants lg KS can reliably model and predict the beta-cyclodextrin influence on Vibrio fischeri toxicity (TI).
authors.affiliation: State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, Beijing, P.R. China. xhliu@bnu.edu.cn
authors.forename: Xin H
authors.initials: XH
authors.lastname: Liu
authors.forename: Juan
authors.initials: J
authors.lastname: Hou
authors.forename: Lei
authors.initials: L
authors.lastname: Wang
authors.forename: Wen R
authors.initials: WR
authors.lastname: Luo
authors.forename: Bao S
authors.initials: BS
authors.lastname: Cui
mesh_terms: D048908:Aliivibrio fischeri / Q000187:drug effects* / Q000254:growth & development; D002264:Carboxylic Acids / Q000737:chemistry / Q000633:toxicity*; D003505:Cyclodextrins / Q000737:chemistry / Q000633:toxicity*; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship
chemical_list: D002264:Carboxylic Acids; D003505:Cyclodextrins