L-和DL-福多司坦的太赫兹光谱分析-IngentaConnect.PDFVIP

物理化学学报(Wuli Huaxue Xuebao) December Acta Phys. -Chim. Sin . 2011, 27 (12), 2743-2748 2743 [Article] doi: 10.3866/PKU.WHX L-和DL-福多司坦的太赫兹光谱分析 赵容娇 何金龙 李 璟* 郭昌盛 杜 勇 洪 治 ( 中国计量学院太赫兹技术与应用研究所, 杭州310018) 摘要: 利用太赫兹时域光谱技术(THz-TDS)在室温下对 L-福多司坦和 DL-福多司坦进行测量, 发现 L-和 DL- 福多司坦在 THz 波段都有特征吸收峰, 且两者的吸收谱有明显差异. 运用密度泛函理论的 B3LYP 方法计算 了 L-和 DL-福多司坦在太赫兹波段的吸收谱, 并对 L-和 DL-福多司坦的特征吸收峰进行了指认, 理论计算与 实验结果基本吻合. 此外, 还对福多司坦胶囊成品药进行了测量, 发现该胶囊的吸收谱与 L-福多司坦非常吻 合, 证明胶囊药的主要成分为 L-福多司坦. 这项研究对手性物质的检测以及化合物有效成分的鉴别有一定的 参考作用. 关键词: L-、DL-福多司坦; 太赫兹光谱; 密度泛函理论; 振动模式 中图分类号: O641; O657.61 Terahertz Time-Domain Spectroscopy of L- and DL-Fudosteine ZHAO Rong-Jiao HE Jin-Long LI Jing* GUO Chang-Sheng DU Yong HONG Zhi (Centre for Terahertz Research, China Jiliang University, Hangzhou 310018, P. R. China) Abstract: The absorption spectra of L- and DL-Fudosteine were measured using terahertz time-domain (THz-TDS) system at room temperature. Experimental results show that L- and DL-Fudosteine both have distinct fingerprint spectra in the THz region and their characteristics are different from each other. The absorption frequencies for the vibration and rotation of Fudosteine in the THz spectral range were simulated and the results are consistent with the experimental results. We also interpret the origin of the absorption peaks using a simulation. Finally, the absorption spectra of the Fudosteine capsule, pure L-Fudosteine and DL- Fudosteine are compared. The results verify that the main component of the capsule is L-Fudosteine. This study provides a reference for the