Insights from designing an artificial cascade catalysis system using principles from substrate channeling in enzymes.

ABSTRACT: Generalizing the key requirements of highly-selective, multi-step chemical conversions involving spatially separated reaction centers remains one of the grand challenges of chemistry. Much work towards this effort has focused on decomposing multi-step conversions into their constituent reactions, whose intermediates are successively upgraded in a chemical cascade via diffusion from center to center. This approach for synthesizing more complex molecules takes its cues from biochemical networks, where near-unit conversion of even complex carbohydrates is achieved by upgrading chemical precursors via enzymatic cascades. In this computational study we examine a simple cascade involving coupled Ag and Cu catalysts that sequentially converts CO₂ to CO and then CO_2</

SUBMITTER: Houle FA 

PROVIDER: S-EPMC12231582 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature