Sequence Rules the Functional Connections and Efficiency of Catalytic Precision Oligomers
(2022) ACS Catalysis — Vol. 12, n° 3, p. 2126-2131 (2022)
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- Authors
Kardas, Sinan 
- Abstract
- The efficiency of cooperative catalysts depends on the probabilities of chance encounter between the different complementary catalytic units. Connecting these catalytic groups along a short flexible oligomeric chain increases these probabilities. Here we show that the sequence of a catalytic triad precisely positioned along a flexible backbone also strongly matters, with the catalytic activity varying by up to one order of magnitude when interchanging two groups in the oligomer sequence. These results are r ationalized with molecular graph s computed from molecular dynamics simulations , showing how functional connections between catalytic groups depend on sequence order.
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Citations
Li, J., Qin, Q., Kardas, S., Fossépré, M., Surin, M., Fernandes, A. E., Glinel, K., & Jonas, A. (2022). Sequence Rules the Functional Connections and Efficiency of Catalytic Precision Oligomers. ACS Catalysis, 12(3), 2126-2131. https://doi.org/10.1021/acscatal.1c05560 (Original work published 2022)