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N,N,N',N'-四(2-苯并咪唑亚甲基)-2-羟基-1,3-二氨基丙烷的量子化学研究及拟SOD模型化合物的合成 被引量:1

Quantum Chemistry Calculation of N,N,N',N'-Tetrakis (Benzimidazol-2-ylmethyl)-2-Hydroxy-1,3-Diaminopropane and Synthesis of Its SOD Mimics
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摘要 以标题化合物(tbpOH)为配体合成了4种拟SOD模型配合物,对配体及配合物进行了红外、紫外和元素分析表征,并在HF/6-31G基组水平上对配体进行了量子化学计算,由分析计算结果可知,tbpOH可以成为较为理想的组氨酸模拟物.采用经典的邻苯三酚自氧化法对合成的拟SOD模型配合物进行了活性测定,可知所合成的模型配合物均具有一定的拟SOD活性,且活性顺序为Cu2(tbpO)·(CH3COO)·(ClO4)3·2C2H6O·H2O>Cu2(tbpO)·(C6H5COO)·(ClO4)3·1.5C2H6O>Fe2(tbpO)·(CH3COO)·(ClO4)5·CH3OH·H2O>Mn2(tbpO)·(C6H5COO)2·(ClO4)2·4H2O. Four kinds of SOD mimics were synthesized with N,N,N',N'-tetrakis (benzimidazol-2-ylmethyl)-2-hydroxy-1,3-diaminopropane as ligand. And a quantum chemistry calculation of tbpOH was performed on HF/6-31G base set. All the complexes and ligand were characterized with elemental analysis, UV and IR spectroscopy. The ability of these SOD mimics to scavenge O_2^(-·) was tested by means of pyrogallol autoxidation. The results showed that their activity sequence was Cu_2(tbpO)·(CH_3COO)·(ClO_4)_3·2C_2H_6O·H_2O>Cu_2(tbpO)·(C_6H_5COO)·(ClO_4)_3·1.5C_2H_6O>Fe_2(tbpO)·(CH_3COO)·(ClO_4)_5·CH_3OH·H_2O>Mn_2(tbpO)·(C_6H_5COO)_2·(ClO_4)_2·4H_2O.
出处 《天津师范大学学报(自然科学版)》 CAS 2004年第2期5-8,共4页 Journal of Tianjin Normal University:Natural Science Edition
基金 天津市教委重点学科资助项目(97202)
关键词 N N N’ N’-四(2-苯并咪唑亚甲基)-2-羟基-1 3-二氨基丙烷 合成 表征 量子化学计算 N,N,N',N'-tetrakis(benzimidazol-2-ylmethyl)-2-hydroxy-1,3-diaminopropane(tbpOH) synthesis characterization quantum chemistry calculation
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