文献类型：期刊文献

中文题名：1,2-萘醌-4-磺酸钠与2,6-二氨基嘌呤的显色作用研究

英文题名：STUDY OF COLOUR REACTION OF1,2-NAPHTHOQUINONE-4-SULFONIC ACID SODIUM SALT AND 2,6-DIAMINOPURINE

作者：刘冰[1];杨代月[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：4

起止页码：80-83

中文期刊名：精细石油化工

外文期刊名：Speciality Petrochemicals

收录：CSTPCD;;Scopus;北大核心:【北大核心2011】；CSCD:【CSCD_E2013_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;2,6-二氨基嘌呤;显色作用

外文关键词：1,2-naphthoquinone-4-sulfonic acid sodium salt ; 2,6-diaminopurine; colour reaction

摘要：利用Materials Studio软件建立1,2-萘醌-4-磺酸钠、2,6-二氨基嘌呤及二者作用物的三维分子模型,通过DMol3模块搜索1,2-萘醌-4-磺酸钠与2,6-二氨基嘌呤反应的过渡态.根据分子力学和分子动力学的模拟结果对2,6二氨基嘌呤与1,2-萘醌-4-磺酸钠显色作用的反应机理进行探讨,并采用1,2-萘醌-4-磺酸钠作为显色剂与2,6-二氨基嘌呤进行显色反应.改变试剂加入顺序、缓冲溶液pH值、试剂配比、反应时间、反应温度等反应条件,获得此类显色反应的最适宜条件,产物最大吸收波长为480 nm,摩尔吸光系数（ε480）为6.00×10^3 L/（mol·cm）.2,6-二氨基嘌呤浓度在0.2-60 mg/L有良好的线性关系,回归方程为A=0.041 87 c＋2.085 3,相关系数为0.999 8,回收率为98.8％-101.2％.
The three-dimensional structures of 1,2-naphthoquinone-4-sulfonic acid sodium salt, 2,6-diaminopurine and the complex of them had been got by using molecular model and molecular dynamics simulation. The reaction transition state of 1,2-naphthoquinone-4-sulfonic acid sodium and 2,6-diami- nopurine had been searched by DMoP module. According to the results of molecular mechanics and molecular dynamics simulation, chromogenic reaction mechanism of 2,6-diaminopurine and 1,2-naphthoquinone-4-sodium sulfonate are discussed, and the 1,2-naphthoquinone-4-sodium sulfonate was used as chromogenic agent to react with 2,6-diaminopurine. The optimal conditions were obtained by changing the reaction conditions such as reagent sequence, buffer solution, ratio of reagents, reaction time and reaction temperature. The maximal absorption wavelength （λmax） Of the product was 480 nm and the molar absorption coefficient （ε480） was 6. 00×10^3 L/mol · cm. Lambert-Beer‘ s Law was obeyed in the range of 0. 20 - 60. 00 mg/L. The linear regression equation was A = 0. 041 87c＋ 2. 085 3, with a correlation coefficient of 0. 999 8. The recoveries are from 98.8% to 101.2%.