引用本文:
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
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
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
The theoretical study of one-carbon unit transfer with H2O participation from imidazolidine to dUMP analogue
摘要:
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.
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关键词:
- Folate cofactor
- / One-carbon unit transfer
- / ONIOM
- / dUMP
- / dTMP
English
The theoretical study of one-carbon unit transfer with H2O participation from imidazolidine to dUMP analogue
Abstract:
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.
-
Key words:
- Folate cofactor
- / One-carbon unit transfer
- / ONIOM
- / dUMP
- / dTMP
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