High-Throughput approaches for the discovery of supramolecular organic cages

ChemPlusChem Journal

The assembly of complex molecules, such as organic cages, can be achieved through supramolecular and dynamic covalent strategies. Their use in a range of applications has been demonstrated, including gas uptake, molecular separations, and in catalysis. However, the targeted design and synthesis of new species for particular applications is challenging, particularly as the systems become more complex. High-throughput computation-only and experiment-only approaches have been developed to streamline the discovery process, although are still not widely implemented. Additionally, combined hybrid workflows can dramatically accelerate the discovery process and lead to the serendipitous discovery and rationalisation of new supramolecular assemblies that would not have been designed based on intuition alone. This Minireview focuses on the advances in high-throughput approaches that have been developed and applied in the discovery of supramolecular organic cages.

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High-Throughput approaches for the discovery of supramolecular organic cages

Dr. Rebecca L. Greenaway and Dr. Kim E. Jelfs

Department of Chemistry, Molecular Sciences Research Hub, Imperial College London, White City Campus, Wood Lane, London W12 0BZ (United Kingdom)

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ChemPlusChem 2020, 85, 1813 – 1823
© 2020 The Authors. Published by Wiley-VCH GmbH

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February 1, 2021