Influence of cyclodextrin complexation on the Vibrio fischeri toxicity of phenylsulfonyl carboxylates.
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).
Liu
Xin H
XH
State Key Laboratory of Water Environment Simulation, School of Environment, Beijing Normal University, Beijing, P.R. China. xhliu@bnu.edu.cn
Hou
Juan
J
Wang
Lei
L
Luo
Wen R
WR
Cui
Bao S
BS
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
D002264:Carboxylic Acids; D003505:Cyclodextrins