【摘要】 使用循环伏安法、密度泛函理论及自然键轨道分析,分别研究了抗坏血酸与腺嘌呤、尿嘧啶的相互作用。两种混合体系在水溶液及PBS缓冲溶液中的电化学实验结果表明:腺嘌呤氨基上的氢原子、嘌呤环上的氮及氢原子,尿嘧啶羰基上的氧原子及氮上氢原子,均可与抗坏血酸烯二醇羟基上的氢原子及羰基上的氧原子形成氢键。氢键的形成,使抗坏血酸的电化学氧化过程难以进行。理论计算也进一步证明了上述混合体系中氢键作用的存在。更多还原

【Abstract】 A study on the interactions of ascorbic acid(AA) with adenine and uracil respectively was investigated employing cyclic voltammetry(CV) density functional theory and natural bond orbital analyses.The CV results demonstrated that H atoms on the amino group,N and H atoms on the ring of adenine,and the O atom on the carbonyl group,H atom on the N atom of uracil can form hydrogen bonding with the O atom on the carbonyl group and the H atoms on the enediol of AA,which results in the electrooxidation of AA become more difficult.Theoretical calculations further confirmed the existence of hydrogen bonding in the above mixed systems.更多还原