Next Generation Supramolecular Catalysts

The Schneebeli lab is creating new robust precision molecular molecular cages and macrocycles, which — like proteins — can position functional groups in specific positions for selective catalysis akin to natural enzymes. However, our structures are more robust than classical enzymes and can be used to catalyze key reactions required for next-generation sequencing of peptides and polymers. For example, the Schneebeli lab has recently invented hydrazone-linked tetrahedral nanocages, which can unfold and functionalize polymer chains in a size-selective manner. We have also created interlocked artificial enzymes, which enable the transfer of chemical information between the reactive ends of polymer chains.

Representative Publications

Size-Selective Catalytic Polymer Acylation with a Molecular Tetrahedron

M. Sharafi, K. T. McKay, M. Ivancic, D. R. McCarthy, N. Dudkina, K. E. Murphy, S. C. Rajappan, J. P. Campbell, Y. Shen, A. R. Badireddy, J. Li, S. T. Schneebeli, Chem (Cell Press) 2020, 6, 1469–1494


Selective Monofunctionalization Enabled by Reaction History-Dependent Communication in Catalytic Rotaxanes

S. C. Rajappan, D. R. McCarthy, J. P. Campbell, J. B. Ferrell, M. Sharafi, O. Ambrozaite, J. Li, S. T. Schneebeli, Angew. Chem. Int. Ed. 2020, 59, 16668–16674


Kinetically Controlled Synthesis of Rotaxane Geometric Isomers

D. R. McCarthy, K. Xu, M. E. Schenkelberg, N. A. Balegamire, H. Liang, S. A. Bellino, J. Li, S. T. Schneebeli, Chem. Sci. 2024, DOI: 10.1039/D3SC04412B

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Supramolecular Probes

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Computer-aided Design