太赫兹时域光谱技术定性定量分析抗结核药物中的吡嗪酰胺和异烟肼

发布时间：2018-06-24 04:40

本文选题：抗结核类药物 + 吡嗪酰胺　；参考：《药物分析杂志》2016年06期

【摘要】：目的:利用太赫兹时域光谱(terahertz time-domain spectroscopy,THz-TDS)技术对抗结核类药物中吡嗪酰胺、异烟肼、利福平三者进行光谱采集,获得三者不同的频谱响应和折射率色散关系;建立吡嗪酰胺和异烟肼含量与光谱曲线的定量分析模型,提供一种新的含量快速检测方法。方法:通过采集时域光谱数据,获得吡嗪酰胺、异烟肼及其混合药物在THz波段的吸收谱与折射率谱,结合密度泛函理论定性归属吡嗪酰胺和异烟肼的分子振动模式;采用偏最小二乘法(partial least squares,PLS)对混合药物中吡嗪酰胺和异烟肼的含量进行回归拟合分析。结果:吡嗪酰胺在0.52、0.72和1.42 THz处有吸收峰;异烟肼在1.17和1.42 THz处有吸收峰;利福平在0.85 THz处有较弱的特征吸收峰,故3种抗结核药物可在THz波段明显识别。混合物中位于0.52、0.72和1.17 THz处的特征吸收峰已归属。随着混合物中吡嗪酰胺质量的增加,样品的吸收系数和折射率都呈现线性的关联度。由回归分析可得,基于吸收系数的吡嗪酰胺含量的PLS模型的相关系数高达0.999 9,均方根误差为0.203 3%,检出极限和定量限分别为0.761 3%和2.307 1%,最大绝对误差为0.491 0%。结论:THz-TDS技术具有操作简单、检测快速、结果可靠的优点,可用于吡嗪酰胺与异烟肼的定性定量分析。
[Abstract]:Objective: to collect the spectra of pyrazinamide, isoniazid and rifampicin in TB drugs by using terahertz time-domain spectroscopy and THz-TDS technique, and to obtain different spectral response and refractive index dispersion relationship among them. A quantitative analysis model of pyrazinamide and isoniazid content and spectral curve was established to provide a new method for rapid determination of pyrazinamide and isoniazid. Methods: the absorption and refractive index spectra of pyrazinamide isoniazid and its mixture in THz band were obtained by collecting time domain spectral data. The molecular vibrational modes of pyrazinamide and isoniazid were assigned qualitatively by density functional theory. The contents of pyrazinamide and isoniazid in mixed drugs were analyzed by partial least square method (partial least squares). Results: pyrazinamide had absorption peaks at 0.52 THz and 1.42 THz, isoniazid at 1.17 THz and 1.42 THz, rifampicin had weak characteristic absorption peak at 0.85 THz. The characteristic absorption peaks at 0.52 THz and 1.17 THz in the mixture have been assigned. With the increase of the mass of pyrazinamide in the mixture, the absorption coefficient and refractive index of the sample show a linear correlation degree. The regression analysis shows that the correlation coefficient of the PLS model based on the absorption coefficient of pyrazinamide content is as high as 0.999, the root mean square error is 0.203 3, the detection limit and the quantitative limit are 0.761 3% and 2.307 1, respectively, and the maximum absolute error is 0.491 0. ConclusionThz-TDS has the advantages of simple operation, rapid detection and reliable results. It can be used for qualitative and quantitative analysis of pyrazinamide and isoniazid.
【作者单位】：中国计量大学太赫兹技术与应用研究所;浙江省食品药品检验研究院;
【分类号】：R917

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