Computer-aided design of a sulfate-encapsulating receptor

Radu Custelcean; Jerome Bosano; Peter V. Bonnesen; Vilmos Kertesz; Benjamin P. Hay

doi:10.1002/anie.200900108

Computer-aided design of a sulfate-encapsulating receptor

Radu Custelcean, Jerome Bosano, Peter V. Bonnesen, Vilmos Kertesz, Benjamin P. Hay

Research output: Contribution to journal › Article › peer-review

182 Scopus citations

Abstract

Custom built: A promising new approach towards more efficient self-assembled cage receptors through computer-aided design is demonstrated. The resulting M₄L₆ tetrahedral cage, internally functionalized with accurately positioned urea hydrogen-bonding groups (see structure; yellow: predicted, blue: experimental, space-filling: SO ₄^2-), proved to be a remarkably strong sulfate receptor in water.

Original language	English
Pages (from-to)	4025-4029
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	48
Issue number	22
DOIs	https://doi.org/10.1002/anie.200900108
State	Published - May 18 2009

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AU - Bosano, Jerome

AU - Bonnesen, Peter V.

AU - Kertesz, Vilmos

AU - Hay, Benjamin P.

PY - 2009/5/18

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Computer-aided design of a sulfate-encapsulating receptor

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