ja8b02993_si_001.pdf (4.63 MB)
Programmed Negative Allostery with Guest-Selected Rotamers Control Anion–Anion Complexes of Stackable Macrocycles
journal contribution
posted on 2018-06-08, 21:18 authored by Edward
G. Sheetz, Bo Qiao, Maren Pink, Amar H. FloodA new
rotamer-based strategy for negative allostery has been used
to control host–host interactions and product yield upon anion
complexation. Coassembly of anion dimers as guests inside two cyanostar
macrocycles drives selection of one rotamer in which all ten steric
groups get directed outward to destabilize triply stacked macrocycles.
A large entropy penalty (ΔS) is quantified
upon anion binding when the multiple dynamic rotamers collapse down
to one.