中国科技论文在线

上传时间

2010年07月01日

【期刊论文】Theoretical Study on the Activity of a-COOH and b-COOH of N-Phosphoryl Aspartic Acids

陈忠周， Zhong Zhou CHEN， Bo TAN， Yan Mei LI*， Yu Fen ZHAO

Chinese Chemical Letters Vol.12, No.12, pp 1093-1096, 2001，-0001，（）：

-1年11月30日

The bio-mimic reactions of N-phosphoryl amino acids are very important in the study of many biochemical processes. The difference of reactivity between a-COOH and b-COOH in phosphoryl aspartic acid was studied by theoretical study (Hartree-Fock and Density Functional methods) in this paper. The intermediates II containing five-membered ring were more stable than III with six-membered ring. While for intermediates III, the isomers with six-membered ring in apical-equatorial spanning arrangement were more stable than those with di-equatorial spanning arrangement. At B3LYP/6-31G** level, it was shown that transition states IV and V involving a-COOH or b-COOH group had energy barriers of DE=58.67kJ×mol-1 and 103.94 kJ×mol-1, respectively. These results were in agreement with the experimental data. So the a-COOH group was involved in form of the intramolecular penta-coordinate phosphoric-carboxylic mixed anhydride intermediates, but not b-COOH group.

α-Carboxylic group， β-carboxylic group， theoretical study， N-phosphorylation

24浏览
0点赞
0收藏
0分享
42下载
0

引用

上传时间

2010年07月01日

【期刊论文】Reversal of Histone Lysine Trimethylation by the JMJD2 Family of Histone Demethylases

陈忠周， Johnathan R. Whetstine， Amanda Nottke， Fei Lan， Maite Huarte， Sarit Smolikov， Zhongzhou Chen， Eric Spooner， En Li， Gongyi Zhang， Monica Colaiacovo， and Yang Shi ， *

，-0001，（）：

-1年11月30日

摘要