本文選題：抗結(jié)核類藥物 + 吡嗪酰胺��； 參考：《藥物分析雜志》2016年06期

【摘要】：目的:利用太赫茲時(shí)域光譜(terahertz time-domain spectroscopy,THz-TDS)技術(shù)對(duì)抗結(jié)核類藥物中吡嗪酰胺、異煙肼、利福平三者進(jìn)行光譜采集,獲得三者不同的頻譜響應(yīng)和折射率色散關(guān)系;建立吡嗪酰胺和異煙肼含量與光譜曲線的定量分析模型,提供一種新的含量快速檢測(cè)方法。方法:通過采集時(shí)域光譜數(shù)據(jù),獲得吡嗪酰胺、異煙肼及其混合藥物在THz波段的吸收譜與折射率譜,結(jié)合密度泛函理論定性歸屬吡嗪酰胺和異煙肼的分子振動(dòng)模式;采用偏最小二乘法(partial least squares,PLS)對(duì)混合藥物中吡嗪酰胺和異煙肼的含量進(jìn)行回歸擬合分析。結(jié)果:吡嗪酰胺在0.52、0.72和1.42 THz處有吸收峰;異煙肼在1.17和1.42 THz處有吸收峰;利福平在0.85 THz處有較弱的特征吸收峰,故3種抗結(jié)核藥物可在THz波段明顯識(shí)別�；旌衔镏形挥�0.52、0.72和1.17 THz處的特征吸收峰已歸屬。隨著混合物中吡嗪酰胺質(zhì)量的增加,樣品的吸收系數(shù)和折射率都呈現(xiàn)線性的關(guān)聯(lián)度。由回歸分析可得,基于吸收系數(shù)的吡嗪酰胺含量的PLS模型的相關(guān)系數(shù)高達(dá)0.999 9,均方根誤差為0.203 3%,檢出極限和定量限分別為0.761 3%和2.307 1%,最大絕對(duì)誤差為0.491 0%。結(jié)論:THz-TDS技術(shù)具有操作簡單、檢測(cè)快速、結(jié)果可靠的優(yōu)點(diǎn),可用于吡嗪酰胺與異煙肼的定性定量分析。
[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.
【作者單位】： 中國計(jì)量大學(xué)太赫茲技術(shù)與應(yīng)用研究所;浙江省食品藥品檢驗(yàn)研究院;
【分類號(hào)】：R917

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