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7018122 
Journal Article 
Mechanism of Catalytic Hydrolysis Cleavage of RNA Phosphodiester Analogue HpPNP by Corrole Manganese(III) Complex 
Li Jiao; Xu Yan; Xu Xuan; Xu Zhi-Guang; Liu Hai-Yang; , 
2020 
Yes 
Chinese Journal of Inorganic Chemistry / Wu Ji Hua Xue Xue Bao
ISSN: 1001-4861 
CHINESE CHEMICAL SOC 
BEIJING 
36 
3 
435-442 
WOS:000539207600006 
The mechanism of catalytic hydrolysis cleavage of RNA phosphodiester analogue 2-(hydroxypropyl)-4-nitrophenyl phosphate (HpPNP) by corrole manganese Oh complex were studied by density functional theory B3CYP method. And the Influence of the reaction energy barrier for the property and number of the meso-substituents were also investigated. The results show that the fracture reaction is carried out by special base catalysis (SBC) mechanism, and the corrole manganese(III) complex forms a unique transition state structure of double hydrogen bond and double coordination with HpPNP, and then the product is formed after the P-O bond is broken. Corrole manganese(111) complexes with electron-absorbing substituents can reduce the energy-barrier by 4% to 34% compared with that without catalyst. The electron absorbing substituent effect in corrole managanese(III) complexes can significantly reduce the reaction energy barrier and promote the hydrolysis fracture reaction. 
corrole; manganese; RNA; 2-(hydroxypropyl)-4-nitrophenyl phosphate; hydrolysis mechanism; substituent effect