Methane is a generic chemical feedstock, and its conversion to methanol can provide an alternative fuel. We herein provide a first-principles-based strategy for designing a catalyst that operates in a synchronized catalytic cycle and efficiently converts methane into methanol. In so doing, we designed an earlier, exp...
Dinesh Singh, Shakir Ali Siddiqui, Sason Shaik et al.· Inorganic Chemistry· 0 citations
This review provides a comprehensive overview of the structural and mechanistic principles that underpin the bioengineering of heme proteins for both natural and abiological transformations, concluding that the core of reactivity of such metalloenzymes is the iron-porphyrin cofactor, whose tunable oxidation and spin st...
Epari Sai Santosh Kumar, K. Dubey· FEBS Letters· 0 citations
This review aims to unify developments into an integrated mechanistic framework that encompasses substrate orientation, conformational gating, catalytic-site organization, transient water-channel assembly, and modulation of the electronic-structure landscape via classical electrostatic and steric confinement across var...
Vaibhav Bhatt, K. Dubey· ACS Bio & Med Chem Au· 0 citations
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