| 甜味化合物天冬氨酰苯丙氨酰甲酯及其类似物的量子化学研究 |
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| 引用本文： | 张士国.甜味化合物天冬氨酰苯丙氨酰甲酯及其类似物的量子化学研究[J].滨州学院学报,2003,19(2):31-35. |
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| 作者姓名： | 张士国 |
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| 作者单位： | 滨州师范专科学校,山东,滨州,256604 |
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| 摘 要： | 用量子化学计算从头算的HartreeFock方法,在6-31G基组水平上,对甜味剂天冬氨酰苯丙氨酰甲酯Aspartame及其类似物H—(S)—Asp(1R,2R)—c6Phe—OMe进行了研究.经几何优化得到了它们的稳定构象.用Fukui指数分析了分子中原子的反应性.根据分子的结构特征对甜味剂与受体的作用模式进行了分析.
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| 关 键 词： | 甜味化合物 天冬氨酰苯丙氨酰甲酯 从头算 |
| 文章编号： | 1008-2980(2003)02-0031-05 |
| 修稿时间： | 2003年3月12日 |
A Quantum Chemistry Study for Sweet Compounds:Aspartame and Its Analogues |
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| ZHANG Shi-guo.A Quantum Chemistry Study for Sweet Compounds:Aspartame and Its Analogues[J].Journal of Binzhou University,2003,19(2):31-35. |
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| Authors: | ZHANG Shi-guo |
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| Abstract: | A study with the quantum chemistry ab initio method, at the Hatree Fock/6-31G level, for the sweet compounds: aspartame(H—(S)—Asp(S)—Phe—OMe) and its analogues H—(S)—Asp(1R,2R)—c_6Phe—Ome,has been carried out. Their conformation has been calculated. The reactivity is analyzed in terms of the Fukui indices and the analysis for the interaction model between the sweeters and their receptors is comeucted. |
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| Keywords: | sweet compounds aspartame ab initio |
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