Citation: Chuan Song Qi, Wei Li, Xin Min Wu, Lei Xu, Da Cheng Feng. The theoretical study of one-carbon unit transfer with H₂O participation from imidazolidine to dUMP analogue[J]. Chinese Chemical Letters, ;2007, 18(9): 1159-1162. doi: 10.1016/j.cclet.2007.07.001 shu

The theoretical study of one-carbon unit transfer with H₂O participation from imidazolidine to dUMP analogue

Chuan Song Qi ^a, ,
Wei Li ^a ,
Xin Min Wu ^a ,
Lei Xu ^a ,
Da Cheng Feng ^b

a Beijing Institute of Petro-chemical Technology, Beijing 102617, China;
b Institute of Theoretical Chemistry, Shandong University, Jinan 250100, China

Received Date: 12 March 2007

The ONIOM quantum mechanics method is used to study the reaction of one-carbon unit transfer from an imidazolidine to 6-aminouracil model with the participation of water molecules. The computation results show that in this reactionthe participation of H₂O molecule makes the energy barrier lower because of the H-bond interaction.
- Folate cofactor,
- One-carbon unit transfer,
- ONIOM,
- dUMP,
- dTMP
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