光谱学与光谱分析, 2009, 29 (9): 2338, 网络出版: 2010-05-26   

蒿甲醚的太赫兹时域光谱研究

Study on the Terahertz Spectrum of Haojiami
作者单位
1 北京航空航天大学仪器科学与光电工程学院, 北京100191
2 首都师范大学北京市太赫兹波谱与成像重点实验室, 北京100037
摘要
蒿甲醚是目前治疗疟疾非常有效的药物。 由于其独特的药效, 在临床医学中的应用比较广泛。 采用太赫兹时域光谱技术测量了蒿甲醚在太赫兹波段的吸收特性, 得到它在0.2~3.0 THz频率范围的特征吸收谱。 应用密度泛函理论和6-31G基组计算了蒿甲醚分子的结构及其在太赫兹波段的振动频率, 并据此对实验光谱吸收峰进行了指认。 理论计算表明, 在1.26和2.73 THz处的吸收峰与实验上在1.24和2.73 THz处得到的吸收峰位置相对应, 理论计算与实验数据吻合的较好。 同时对蒿甲醚的远红外振动模式进行了识别, 振动模式以分子基团的骨架振动和扭转为主要特征。 对蒿甲醚太赫兹光谱特性的研究结果表明太赫兹技术是一种检测中药的有效方法, 这为进一步研究蒿甲醚的药效提供了理论依据。
Abstract
Haojiami is a very effective drug to treat malaria, and as a result of its unique drug efficacy, it is widely used in the clinical medicine. It was studied experimentally by terahertz (THz) time-domain spectroscopy (THz-TDS), and the characteristic absorption spectra were obtained in the range of 0.2 to 3.0 THz. In parallel with the experimental study, the density functional theory (DFT) and 6-31G basis set were applied to obtain the structure and vibrational frequencies of the haojiami molecule. The observed vibrational spectra were assigned according to the DFT calculations. Theoretical results show that 1.26 and 2.73 THz in significant agreement with experimental results at 1.24 and 2.73 THz. At the same time, haojiami’s far infrared vibration pattern was recognized. The vibration mode takes the molecular groups skeleton vibration and the reverse as the chief feature. The results suggest that the use of the THz-TDS technique can be an effective way to inspect for Chinese medicine, and provide the theory basis for further study of the haojiami drug efficacy.

周斌权, 房建成, 武凤萍. 蒿甲醚的太赫兹时域光谱研究[J]. 光谱学与光谱分析, 2009, 29(9): 2338. ZHOU Bin-quan, FANG Jian-cheng, WU Feng-ping. Study on the Terahertz Spectrum of Haojiami[J]. Spectroscopy and Spectral Analysis, 2009, 29(9): 2338.

本文已被 1 篇论文引用
被引统计数据来源于中国光学期刊网
引用该论文: TXT   |   EndNote

相关论文

加载中...

关于本站 Cookie 的使用提示

中国光学期刊网使用基于 cookie 的技术来更好地为您提供各项服务,点击此处了解我们的隐私策略。 如您需继续使用本网站,请您授权我们使用本地 cookie 来保存部分信息。
全站搜索
您最值得信赖的光电行业旗舰网络服务平台!