Nanoconfinement effect on the hydrolysis of cisplatin
Chemical Physics Letters(2023)
摘要
•The hydrolysis of cisplatin is less favorable inside the CNH cavity by 7 kcal mol−1.•The energy barrier for hydrolysis of cisplatin is reduced by 9 kcal mol−1 in the CNH.•Structural and energetic effects in the CNH cause a reduction of the energy barrier.•The confined process of hydrolysis is 4-orders of magnitude faster than this one for free cisplatin.
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关键词
Cisplatin,Carbon nanohorns,ONIOM,Hydrolysis,Confinement effect
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