文献类型：期刊文献

中文题名：1,2-萘醌-4-磺酸钠与腺嘌呤的显色作用研究

英文题名：The study of color reaction of 1,2-naphthoquinone-4-sulfonic acid sodium salt and adenine

作者：刘冰[1]

第一作者：刘冰

机构：[1]新乡学院化学与化工学院

第一机构：新乡学院化学化工学院

年份：2014

卷号：31

期号：10

起止页码：1221-1224

中文期刊名：计算机与应用化学

外文期刊名：Computers and Applied Chemistry

收录：CSTPCD;;北大核心:【北大核心2011】；CSCD:【CSCD2013_2014】；

基金：河南省基础与前沿技术研究项目(132300410454);新乡市重点科技攻关项目(ZG13016)

语种：中文

中文关键词：1,2-萘醌-4-磺酸钠;氨基嘌呤;显色作用

外文关键词：1,2-naphthoquinone-4-sulfonic acid sodium salt; adenine; color reaction

摘要：利用Materials Studio软件建立1,2-萘醌-4-磺酸钠、腺嘌呤及二者作用物的三维分子模型,对腺嘌呤与1,2-萘醌-4-磺酸钠显色反应进行模拟。通过DMol3模块搜索1,2-萘醌-4-磺酸钠与腺嘌呤反应的过渡态,根据模拟结果确定反应的可行性。改变试剂加入顺序、缓冲溶液pH、试剂配比、反应时间、反应温度等反应条件以获得1,2-萘醌-4-磺酸钠作为显色剂与腺嘌呤进行显色反应的最适宜条件,结果表明,40℃~50℃时,在pH=13.0的缓冲溶液中,1,2-萘醌-4-磺酸钠能直接与腺嘌呤发生亲核取代反应,生成橙红色化合物,产物最大吸收波长为470 nm,摩尔吸光系数(ε_(470))为1.181×10~3L/mol/cm。腺嘌呤浓度范围在0.40~2.00×10^(-3)mol·L^(-1)范围内有良好的线性关系,回归方程为A=0.02783+0.1181c(×10~4mol·L^(-1)),相关系数为0.9992。回收率范围98.2%~101.4%。方法具有较好的显色效果。
The three-dimensional structures of 1,2-naphthoquinone-4-sulfonic acid sodium salt and adenine and the complex of them had been got 1,2 and chromogenic reaction had been simulated by using Materials Studio Modeling 4.4 software. The reaction transition state of naphthoquinone-4-sulfonic acid sodium and adenine had been searched by DMol3 module. According to the results of simulation, chromogenic reaction of adenine and 1,2-naphthoquinone-4-sodium sulfonate are proved to be feasible. Change the reaction conditions such as reagent sequence, buffer solution, ratio of reagents, reaction time, reaction temperature and so on, the most suitable conditions had been obtained. The results show that in the buffer solution pH = 13.0, 1,2-naphthoquinone-4-sulfonic acid sodium salt can directly with adenine nucleophilic reaction generated orange red compounds at 40 ℃-50℃. The maximal absorption wavelength （Lmax） of the product was 470 nm, the molar absorption coefficient （e470） was 1.181-103 L/（mol.cm）. Lambert-Beer＇s Law was obeyed in the range of 0.40-2.00×10^-3mol·L^-1. The linear regression equation was A=0.02783＋0.1181 c（×10^4mol·L^-1）, with a correlation coefficient of 0.9992. The recoveries were obtained from 98.2 % to 101.4 %. The proposed method was successfully applied to determine adenine in pharmaceutical samples with satisfactory results.