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. 2016 Jan 13;138(1):48-51.
doi: 10.1021/jacs.5b10937. Epub 2015 Dec 24.

Binding Hydrated Anions with Hydrophobic Pockets

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Binding Hydrated Anions with Hydrophobic Pockets

Punidha Sokkalingam et al. J Am Chem Soc. .

Abstract

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.

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Figures

Figure 1
Figure 1
Representative calculated structures of the complexes between 1 and perchlorate (left) and iodide (right).

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