DNA模型分子与肾上腺素相互作用的研究

发布时间：2018-01-23 13:51

本文关键词： 肾上腺素碱基电子转移氢键复合物循环伏安量子化学　出处：《曲阜师范大学》2007年硕士论文　论文类型：学位论文

【摘要】： 核酸DNA是生物的基本遗传物质，是遗传信息的载体，基因表达的物质基础，对生物演化起着决定性作用，决定着生物的发展方向。而构成核酸的基本单元主要是生物体内存在着的碱基—胞嘧啶、胸腺嘧啶、尿嘧啶、腺嘌呤和鸟嘌呤，它们均为含有氮原子共轭体系的杂环化合物，对生物体系有重要作用。肾上腺素是哺乳动物和人类的一种重要的儿茶酚胺类神经传递物质，它控制着神经系统进行一系列生物反应及神经化学过程，肾上腺素也是一种重要的生物分子。研究生物分子间的相互作用是了解生物体系的特异作用和识别机理的基础，研究碱基分子与肾上腺素的相互作用，对于推动生命科学、药物化学、物理化学等学科的发展能起到一定的积极作用。本文用电化学方法研究了胞嘧啶、胸腺嘧啶、尿嘧啶三种碱基对肾上腺素电化学氧化的循环伏安(CV)曲线的影响，并辅助于量子化学方法对三种碱基与肾上腺素形成的氢键复合物进行了理论探讨。利用循环伏安法研究了胞嘧啶、胸腺嘧啶、尿嘧啶在KRPB缓冲溶液中对肾上腺素电子转移性质的影响，实验结果表明：在KRPB缓冲溶液中，这几种碱基对肾上腺素具有一定的稳定作用，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。由于胞嘧啶的溶解度在三者中较大，又研究了胞嘧啶在不同介质中对肾上腺素氧化行为的影响，实验发现：在不同的体系中胞嘧啶对肾上腺素的稳定作用不同，即体系组成物质的不同对碱基与肾上腺素相互作用的强弱有一定的影响。胞嘧啶、胸腺嘧啶、尿嘧啶在生物体系中主要以酮式结构存在，，用量子化学方法优化了它们的酮式结构的几何构型，它们的酮式结构能与肾上腺素形成氢键复合物，对它们形成的复合物进行几何构型优化，获得了结构参数和能量。同时对烯醇式结构的胞嘧啶与质子化的肾上腺素形成的氢键复合物进行了几何构型优化，获得了相应的结构参数和能量，解释了有关实验现象。
[Abstract]:Nucleic acid DNA is the basic genetic material of biology, is the carrier of genetic information, the material basis of gene expression, and plays a decisive role in biological evolution. The basic units of nucleic acid are the bases of cytosine, thymine, uracil, adenine and guanine. They are heterocyclic compounds containing conjugated nitrogen atoms and play an important role in biological systems. Epinephrine is an important catecholamines neurotransmitter in mammals and humans. It controls a series of biological reactions and neurochemical processes in the nervous system. Epinephrine is also an important biomolecules. Studying the interaction between biomolecules is the basis of understanding the specific action and recognition mechanism of biological systems and studying the interaction between base molecules and epinephrine. It can play a positive role in promoting the development of life science, pharmaceutical chemistry, physical chemistry and so on. In this paper, cytosine and thymine were studied by electrochemical method. The effect of three bases of uracil on the cyclic voltammetry (CV) curve of the electrochemical oxidation of epinephrine was studied. The hydrogen bond complexes formed between the three bases and epinephrine were investigated theoretically by quantum chemical method. The effects of cytosine, thymine and uracil on the electron transfer properties of epinephrine in KRPB buffer solution were studied by cyclic voltammetry. The experimental results showed that the effect of cytosine, thymine and uracil in KRPB buffer solution was studied. These bases have a certain stabilizing effect on epinephrine, which can inhibit the oxidation of epinephrine to a certain extent, thus changing the cyclic voltammetry of epinephrine. The effects of cytosine on epinephrine oxidation in different media were also studied. It was found that cytosine had different stabilizing effects on adrenaline in different systems. That is, the different composition of the system has a certain effect on the interaction between base and epinephrine. Cytosine, thymine and uracil mainly exist as ketones in biological systems. The geometric configurations of cytosine, thymidine and uracil are optimized by quantum chemical method. Their ketone structure can form hydrogen bond complexes with epinephrine, and the geometric configuration of the complexes is optimized. The structure parameters and energy were obtained, and the geometries of the hydrogen bond complexes formed by cytosine and protonated epinephrine were optimized, and the corresponding structural parameters and energy were obtained. The experimental phenomena are explained.
【学位授予单位】：曲阜师范大学
【学位级别】：硕士
【学位授予年份】：2007
【分类号】：R341

【引证文献】