| 引用本文: | 石云峰,赵容娇,林丽琴,李璟,何金龙.拉米夫定的太赫兹波时域光谱研究[J].中国现代应用药学,2013,30(4):378-383. |
| SHI Yunfeng,ZHAO Rongjiao,LIN Liqin,LI Jing,HE Jinlong.Terahertz Time-domain Spectroscopy of Lamivudine[J].Chin J Mod Appl Pharm(中国现代应用药学),2013,30(4):378-383. |
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| 摘要: |
| 目的 使用太赫兹时域光谱技术测定拉米夫定，得到其频谱响应和折射率色散关系，从而对拉米夫定进行定性分析。方法 采用THz-TDS系统测定拉米夫定，同时运用密度泛函理论(DFT) 的B3LYP 方法计算了拉米夫定的结构及其在太赫兹波段的振动频率。在此基础上运用Gaussian View软件对实验光谱吸收峰进行了指认。结果 理论计算结果与实验数据吻合的较好，说明用THz谱检测拉米夫定的准确性。结论 可用太赫兹时域光谱技术对拉米夫定进行定性分析，为THz时域光谱技术在其他药物的定性分析提供了有益的借鉴。 |
| 关键词: 拉米夫定 太赫兹时域光谱 密度泛函理论 |
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| 基金项目:浙江省自然科学基金会(Y1090912),浙江省教育厅科研项目(Y200702848,Y200805889) |
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| Terahertz Time-domain Spectroscopy of Lamivudine |
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SHI Yunfeng1, ZHAO Rongjiao2, LIN Liqin3, LI Jing2, HE Jinlong2
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1.ZheJiang Institute for Food and Drug Control, Hangzhou 310004, China;2.College of Mechanical and Electrical Engineering, Hangzhou 310018, China;3.Hangzhou Institute for Drug Control, Hangzhou 310017, China
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| Abstract: |
| OBJECTIVE The refractive index and absorption coefficient of lamivudine were measured by the THz-TDS system. The spectral response and the dispersive relationship of refractive index in the range were obtained which can be used in the qualitative analysis. METHODS The refractive index and absorption coefficient of lamivudine were measured by using the THz-TDS system. At the same time, Gaussian View software and B3LYP algorithm of density functional theory were applied to simulate the structure and vibration frequencies of lamivudine in THz spectral range. According to the results of simulation, the origin of experimental absorption peaks were interpreted with the help of Gaussian View. RESULTS The theoretical calculation result and experiment data tallied well. This showed that the accuracy of using THz spectrum to detect Lamivudine. CONCLUSION The THz-TDS system can be used in the qualitative analysis of lamivudine. The research results show that it is feasible to apply terahertz time-domain spectroscopy into the qualitative analysis of other drugs. |
| Key words: lamivudine terahertz time-domain spectroscopy density functional theory |
