科研之友
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摘要
The chemical repair of radical-damaged leucine residues by dihydrolipoic acid (DHLA) in solution has been studied using density functional theory. Because of the low electron affinity of carbon-centered radicals, hydrogen-atom transfer (HAT) reactions were the only ones studied. DHLA was found to repair the radical-damaged leucine residue by HAT from the thiol groups. The calculated rate constants are in the diffusion-controlled regime, which indicates that these reactions are fast enough to be considered a possible repair process for an initially damaged protein with a leucine lateral chain.
- 出版日期2015
