Journal of the American Chemical Society, Vol.138, No.1, 48-51, 2016
Binding Hydrated Anions with Hydrophobic Pockets
Using a combination of isothermal titration calorimetry and quantum and molecular dynamics calculations, we demonstrate that relatively soft anions have an affinity for hydrophobic concavity. The results are consistent with the anions remaining partially hydrated upon binding, and suggest a novel strategy for anion recognition.