【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。更多还原

【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.更多还原