腺嘌呤与肾上腺素相互作用的伏安特性及理论研究  

Voltampere Features and Theoretical Study of the Interaction between Adenine and Adrenaline

作　　者：王慧[1] 李伟[1] 陈媛媛[1] 李小春[1] 林宪杰[2] 

机构地区：[1]曲阜师范大学化学科学学院,山东曲阜273165 [2]菏泽学院,山东菏泽274015

出　　处：《菏泽学院学报》2009年第2期89-93,共5页Journal of Heze University

基　　金：中国博士后科学基金资助项目(20080430193);山东省博士后创新项目(200702020);菏泽学院博士基金资助项目(200701)

摘　　要：采用循环伏安法,研究了铂电极上腺嘌呤与肾上腺素在pH=1.0,I=0.5的盐酸-氯化钠溶液中相互作用的电化学行为.实验结果表明,腺嘌呤对肾上腺素有一定的稳定作用,能在一定程度上抑制肾上腺素的氧化,从而改变了肾上腺素的循环伏安特征.同时用密度泛函理论(DFT)的B3LYP方法,在6-31+G(d)基组水平上,对腺嘌呤与肾上腺素所能形成的4种环状复合物的结构进行了优化计算,并对各物种的能量进行零点振动能(ZPVE)和基组叠加误差(BSSE)校正.计算结果表明,腺嘌呤与肾上腺素存在氢键作用,从理论上解释了有关的实验现象.By way of cyclic vohametry the paper makes a study of the effect of adenine on the electrochemical properties of adrenaline in hydrochloric acid and sodium chloride of Phl. 0 1 and I O. 5 at a platinum electrode. The results show that adenine has stabilization on adrenaline and to some extent inhibits the oxidation of adrenaline, and change the cyclic voltampere features of adrenaline. Meanwhile by way of B3YLP of density function theory, on the basis of 6 -31 ＋ G （d）, the structure of four cyclic complexes formed between adenine and adrenaline is optimized. Additionally, the calculated binding energies obtained with them is corrected for the basis set superposition error （BSSE） and the zero- point vibrational energy（ZPVE） corrections are also applied. The calculation results show that hydrogen bonds can be formed between adenine and adrenaline, which can be used to explain some experimental phenomena.

关 键 词：肾上腺素 腺嘌呤 循环伏安 密度泛函理论 氢键 

分 类 号：O646[理学—物理化学]