High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis

R. L. Greenaway; V. Santolini; M. J. Bennison; B. M. Alston; C. J. Pugh; M. A. Little; M. Miklitz; E. G. B. Eden-Rump; R. Clowes; A. Shakil; H. J. Cuthbertson; H. Armstrong; M. E. Briggs; K. E. Jelfs; A. I. Cooper

doi:10.1038/s41467-018-05271-9

Nature Communications (Jul 2018)

High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis

R. L. Greenaway,
V. Santolini,
M. J. Bennison,
B. M. Alston,
C. J. Pugh,
M. A. Little,
M. Miklitz,
E. G. B. Eden-Rump,
R. Clowes,
A. Shakil,
H. J. Cuthbertson,
H. Armstrong,
M. E. Briggs,
K. E. Jelfs,
A. I. Cooper

Affiliations

R. L. Greenaway: Department of Chemistry and Materials Innovation Factory, University of Liverpool
V. Santolini: Department of Chemistry, Imperial College London, South Kensington
M. J. Bennison: Department of Chemistry and Materials Innovation Factory, University of Liverpool
B. M. Alston: Department of Chemistry and Materials Innovation Factory, University of Liverpool
C. J. Pugh: Department of Chemistry and Materials Innovation Factory, University of Liverpool
M. A. Little: Department of Chemistry and Materials Innovation Factory, University of Liverpool
M. Miklitz: Department of Chemistry, Imperial College London, South Kensington
E. G. B. Eden-Rump: Department of Chemistry and Materials Innovation Factory, University of Liverpool
R. Clowes: Department of Chemistry and Materials Innovation Factory, University of Liverpool
A. Shakil: Department of Chemistry and Materials Innovation Factory, University of Liverpool
H. J. Cuthbertson: Department of Chemistry and Materials Innovation Factory, University of Liverpool
H. Armstrong: Department of Chemistry and Materials Innovation Factory, University of Liverpool
M. E. Briggs: Department of Chemistry and Materials Innovation Factory, University of Liverpool
K. E. Jelfs: Department of Chemistry, Imperial College London, South Kensington
A. I. Cooper: Department of Chemistry and Materials Innovation Factory, University of Liverpool

DOI: https://doi.org/10.1038/s41467-018-05271-9
Journal volume & issue: Vol. 9, no. 1
pp. 1 – 11

Abstract

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Supramolecular assemblies remain of great importance to a variety of fields, yet their targeted design and synthesis remains highly challenging. Here, Cooper and colleagues combine computational screening with high-throughput robotic synthesis and discover 33 new organic cage molecules that form cleanly in one-pot syntheses.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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