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| N-磷酰化氨基酸生成五配位磷中间体过程中氨基酸侧链立体化学效应的理论研究 | |
| 引用本文： | 赵丽娇,钟儒刚,甄岩,赵玉芬.N-磷酰化氨基酸生成五配位磷中间体过程中氨基酸侧链立体化学效应的理论研究[J].化学学报,2006,64(9):959-962. |
| 作者姓名： | 赵丽娇 钟儒刚 甄岩 赵玉芬 |
| 作者单位： | 1. 北京工业大学生命科学与生物工程学院,北京,100022 2. 北京工业大学生命科学与生物工程学院,北京,100022;生命有机磷化学及化学生物学教育部重点实验室,清华大学化学系,北京,100084 3. 生命有机磷化学及化学生物学教育部重点实验室,清华大学化学系,北京,100084 |
| 基金项目： | 中国科学院资助项目;北京市人才强教计划资助项目 |
| 摘 要： | 用密度泛函(DFT)方法在B3LYP/6-311G(d,p)水平上对N-磷酰化氨基酸生成五配位磷酸羧酸混酐(IMCPA)反应中手性氨基酸残基侧链的立体化学效应进行了研究. 模拟了氨基酸残基上羧基氧原子从磷酰基的不同侧面进攻磷原子从而形成不同构型五配位磷中间体的反应途径, 探讨了IMCPA生成过程中的立体选择性. |
| 关 键 词： | N-磷酰化氨基酸 生命起源 立体化学效应 DFT |
| 收稿时间： | 11 8 2005 12:00AM |
| 修稿时间： | 2005-11-082006-03-29 |
Stereochemical Effect of the Amino Acid Side Chain on the Formation of Penta-coordinate Phosphorus Intermediates from N-Phosphorylamino acid: A Theoretical Study |
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| ZHAO Li-Jiao,ZHONG Ru-Gang,ZHEN Yan,ZHAO Yu-Fen.Stereochemical Effect of the Amino Acid Side Chain on the Formation of Penta-coordinate Phosphorus Intermediates from N-Phosphorylamino acid: A Theoretical Study[J].Acta Chimica Sinica,2006,64(9):959-962. | |
| Authors: | ZHAO Li-Jiao ZHONG Ru-Gang ZHEN Yan ZHAO Yu-Fen |
| Institution: | ( College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100022)( Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology, Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084) |
| Abstract: | The stereochemical effect of the chiral amino acid residues on the formation of penta-coordinate phosphorus intermolecular mixed carboxylic-phosphoric anhydride (IMCPA) from N-phosphorylamino acids was studied with density functional theory (DFT) calculations at B3LYP/6-311G(d,p) level. The reaction pathways for the formation of penta-coordinate phosphorus intermediates with different configurations through the carboxyl oxygen on amino acid group attacking the phosphoryl group from different directions were simulated and the stereoselectivity in the formation of IMCPA was discussed. |
| Keywords: | N-phosphorylamino acid origin of life stereochemical effect DFT |
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