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芳酸类药物的近红外及二维相关(2DCorr)光谱分析
引用本文:刘浩,相秉仁,屈凌波,徐建平.芳酸类药物的近红外及二维相关(2DCorr)光谱分析[J].光谱学与光谱分析,2007,27(2):265-269.
作者姓名:刘浩  相秉仁  屈凌波  徐建平
作者单位:1. 广东化工制药职业技术学院药学系,广东 广州 510520
2. 中国药科大学分析测试中心,江苏 南京 210009
3. 安阳师范学院,河南 安阳 455002
基金项目:国家自然科学基金 , 河南省高校杰出科研创新人才工程项目
摘    要:结合傅里叶变换近红外(FT-NIR)光谱法和二维相关分析(2D-correlation analysis, 2DCorr)方法研究了芳酸类药物水杨酸、乙酰水杨酸(阿司匹林)、苯甲酸在升温过程中的结构变化特征。三种芳酸类药物随着温度升高的红外光谱的特征峰在一维图上变化不明显,借助于2DCorr分析,将一维近红外谱图拓展到二维,提高了分辨率和可解释性。通过不同芳酸类药物NIR及2DCorr光谱的比较和分析,对芳酸类药物NIR吸收峰进行了归属,对其结构特点进行了研究,实验结果特别肯定了水杨酸的六元环内氢键结构。通过该文的研究更深层次地理解了芳酸类药物,为其进一步的研究和使用提供参考。

关 键 词:近红外(NIR)光谱  二维相关(2DCorr)光谱  水杨酸  乙酰水杨酸(阿司匹林)  苯甲酸  结构分析  
文章编号:1000-0593(2007)02-0265-05
收稿时间:2005-12-19
修稿时间:2006-03-28

Structure Analysis of Benzoic Medicines by Near Infrared and Two Dimensional Correlation Spectroscopy
LIU Hao,XIANG Bing-ren,QU Ling-bo,XU Jian-ping.Structure Analysis of Benzoic Medicines by Near Infrared and Two Dimensional Correlation Spectroscopy[J].Spectroscopy and Spectral Analysis,2007,27(2):265-269.
Authors:LIU Hao  XIANG Bing-ren  QU Ling-bo  XU Jian-ping
Institution:1. Department of Pharmacy, Guangdong Chemical Engineering Pharmaceutics College, Guangzhou 510520, China2. Center for Analysis and Measurement, China Pharmaceutical University, Nanjing 210009, China3. Anyang Teachers College, Anyang 455002, China
Abstract:The structure analysis of benzoic medicines by Fourier transform near infrared spectroscopy and generalized two dimensional correlation spectroscopy was performed. Three kinds of medicines showed unconspicuous changes in one-dimensional near infrared spectra, while the two dimensional correlation spectra showed high resolution, and were more explicable. By the comparison and analysis of raw near infrared spectra and 2D-correlation spectra, the near infrared absorption peaks of benzoic acid medicines were assigned, and their structure characteristics were analyzed, the results affirmed the six-membered ring intramolecular hydrogen bond especially. The study is helpful to the in-depth understanding of benzoic medicines, and provides information for the future study and utilization of benzoic medicines.
Keywords:Near infrared spectrum  Generalized two dimensional correlation spectrum  Salicylic acid  Acetylsalicylic acid (Aspirin)  Benzoic acid  Structure analysis
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