Liu Hao, Xiang Bing-ren, Qu Ling-bo, Xu Jian-ping
Department of Pharmacy, Guangdong Chemical Engineering Pharmaceutics College, Guangzhou 510520, China.
Guang Pu Xue Yu Guang Pu Fen Xi. 2007 Feb;27(2):265-9.
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.
采用傅里叶变换近红外光谱和广义二维相关光谱对苯甲酸类药物进行了结构分析。三种药物在一维近红外光谱中变化不明显，而二维相关光谱具有高分辨率且更具解释性。通过对原始近红外光谱和二维相关光谱的比较分析，对苯甲酸类药物的近红外吸收峰进行了归属，并分析了其结构特征，结果尤其证实了六元环分子内氢键的存在。该研究有助于深入了解苯甲酸类药物，并为苯甲酸类药物未来的研究和利用提供信息。
