Binding-Induced Unfolding of 1-Bromopropane in α-Cyclodextrin

The Journal of Physical Chemistry. B
Andres S UrbinaDor Ben-Amotz

Abstract

Raman multivariate curve resolution vibrational spectroscopy and X-ray crystallography are used to quantify changes in the gauche-trans conformational equilibrium of 1-bromopropane (1-BP) upon binding to α-cyclodextrin (α-CD). Both conformers of 1-BP are found to bind to α-CD, although binding favors the unfolded trans conformation. Temperature-dependent measurements of the binding-induced change in the 1-BP conformation equilibrium constant indicate that the trans conformer is both enthalpically and entropically stabilized in the host cavity.

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