Applying non-parametric statistical methods to the classical measurements of inclusion complex binding constants

Anal Bioanal Chem. 2003 Feb;375(3):414-23. doi: 10.1007/s00216-002-1693-0. Epub 2003 Jan 30.

Abstract

A study on using non-parametric statistical methods was carried out to calculate the binding constant of an inclusion complex and to estimate its associated uncertainty. First, a correct evaluation of the stoichiometry was carried out in order to ensure an accurate determination of the binding constant. For this purpose, the modified Benesi-Hildelbrand method had been previously applied. Then, four statistical methods (three non-parametric methods: two bootstrap approaches, the jackknife method and a parametric one: Fieller's theorem) were employed in order to compute the binding constant. The results obtained from applying these methods and the combination of the methods: jackknife after bootstrap and bootstrap after jackknife were compared. The best results in terms of accuracy were obtained from the application of a bootstrap method: the resampling residuals approach. These procedures were applied to the inclusion complex 2-hydroxil-propyl-beta-cyclodextrin-2,4-dichloro-phenoxyacetic, which shows photochemically-induced fluorescence.

MeSH terms

  • Binding Sites
  • Cyclodextrins / chemistry*
  • Fluorescence
  • Kinetics
  • Pesticides / chemistry
  • Photochemistry
  • Solutions
  • Statistics, Nonparametric*

Substances

  • Cyclodextrins
  • Pesticides
  • Solutions