Algorithms for the determination of binding constants and enantiomeric excess in complex host: Guest equilibria using optical measurements

Journal Article (Journal Article)

The determination of binding constants is central to many areas of research, supramolecular chemistry in particular. Traditional nonlinear regression analysis, however, cannot be applied to complex systems unless certain assumptions are undertaken, which often limits the reliability of such calculations. Our group has developed an iterative method using commercial software that allows for the rigorous determination of binding constants in a variety of systems, including 1:2 complexes, indicator displacement assays, and enantioselective indicator displacement assays. The improved accuracy of the values obtained in the latter case, in turn, allows for a more precise determination of ee in competitive equilibria. © 2010 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

Full Text

Duke Authors

Cited Authors

  • Hargrove, AE; Zhong, Z; Sessler, JL; Anslyn, EV

Published Date

  • January 1, 2010

Published In

Volume / Issue

  • 34 / 2

Start / End Page

  • 348 - 354

Electronic International Standard Serial Number (EISSN)

  • 1369-9261

International Standard Serial Number (ISSN)

  • 1144-0546

Digital Object Identifier (DOI)

  • 10.1039/b9nj00498j

Citation Source

  • Scopus