Insights into the enhanced catalytic activity of cytochrome c when encapsulated in a metala-organic framework

Yijing Chen, Felipe Jiḿenez-Ángeles, Baofu Qiao, Matthew D. Krzyaniak, Fanrui Sha, Satoshi Kato, Xinyi Gong, Cassandra T. Buru, Zhijie Chen, Xuan Zhang, Nathan C. Gianneschi, Michael R. Wasielewski, Monica Olvera De La Cruz*, Omar K. Farha*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

60 Scopus citations


The encapsulation of enzymes within porous materials has shown great promise, not only in protecting the enzymes from denaturation under nonbiological environments, but also, in some cases, in facilitating their enzymatic reaction rates at favorable reaction conditions. While a number of hypotheses have been developed to explain this phenomenon, the detailed structural changes of the enzymes upon encapsulation within the porous material, which are closely related to their activity, remain largely elusive. Herein, the structural change of cytochrome c (Cyt c) upon encapsulation within a hierarchical metal-organic framework, NU-1000, is investigated through a combination of experimental and computational methods, such as electron paramagnetic resonance, solid-state ultraviolet- visible spectroscopy, and all-atom explicit solvent molecular dynamics simulations. The enhanced catalytic performance of Cyt c after being encapsulated within NU-1000 is supported by the physical and in silico observations of a change around the heme ferric active center.

Original languageEnglish (US)
Pages (from-to)18576-18582
Number of pages7
JournalJournal of the American Chemical Society
Issue number43
StatePublished - Oct 28 2020

ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry
  • Catalysis
  • Colloid and Surface Chemistry


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