Algorithms for the determination of binding constants and enantiomeric excess in complex host : guest equilibria using optical measurements
- 12 January 2010
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in New Journal of Chemistry
- Vol. 34 (2), 348-354
- https://doi.org/10.1039/b9nj00498j
Abstract
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.Keywords
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