Influence of Cyclodextrin Complexation on the Vibrio fischeri Toxicity of Phenylsulfonyl Carboxylates

Abstract

This paper describes the research about the β -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 K _OW, the grouped electrotopological state (E-state) index S _{(> SO2)} and the stability constants of inclusion complexes lg K _S , three models with high squared correlation coefficients r² _adj at 0.908, 0.951 and 0.917, respectively were constructed to evaluate the β-cyclodextrin influence on Vibrio fischeri toxicity. For the type of phenylsulfonyl carboxylates, the inclusion stability constants lg K _S can reliably model and predict the β-cyclodextrin influence on Vibrio fischeri toxicity (TI).

Keywords:

• β-cyclodextrin
• QSARs
• inclusion complex
• electrotopological state index
• Vibrio fischeri

Acknowledgments

The research was financially supported by the National Basic Research Programs of China, No.2003CB415007 and No.2003CB415104.