Algorithms for the determination of binding constants and enantiomeric excess in complex host: Guest equilibria using optical measurements
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.
Hargrove, AE; Zhong, Z; Sessler, JL; Anslyn, EV
Volume / Issue
Start / End Page
Electronic International Standard Serial Number (EISSN)
International Standard Serial Number (ISSN)
Digital Object Identifier (DOI)