基于太赫兹波时域光谱的拉米夫定和齐多夫定的定性定量分析

目的: 获得拉米夫定、齐多夫定以及两者混合物的太赫兹光谱,得到其频谱响应和折射率色散关系,从而进行定性定量分析。 方法: 利用太赫兹时域光谱技术测定拉米夫定、齐多夫定以及两者混合物,并用经典偏最小二乘回归方法建立模型对两者的混合物进行定性定量分析。 结果: 拉米夫定和齐多夫定在太赫兹波段都具有各自的特征吸收峰,说明利用太赫兹光谱可以将它们明显区分开来;其中校正集和验证集的相关系数均优于0.99,预测值的均方根误差小于1.2%。 结论: 根据太赫兹光谱包含的特征信息能够对该类药品混合物中的成分进行定性定量分析。

Objective: To conduct a qualitative and quantitative analysis of lamivudine and zidovudine based on the spectral response and dispersive relationship of refractive index obtained by terahertz spectra of the lamivudine,zidovudine and their mixture. Methods: The refractive index and absorption coefficients of lamivudine,zidovudine and the mixture were determined by terahertz time-domain spectroscopy (THz-TDS).Classical partial least square (PLS) was adopted to establish the regression model between the absorption coefficient and the content of the lamivudine in the mixture. Results: Both lamivudine and zidovudine had fingerprint absorption peaks in THz region,indicating that they were distinguished by THz-TDS.In the regression model,the correlation coefficients between calibration and prediction samples were both above 0.99,and the root mean square error (RMSE) of predicted content was about 1.2%. Conclusion: A qualitative and quantitative analysis of the mixture of such drugs can be made based on their features showed by THz-TDS.