基于拉曼散射光谱的新型抗流感病毒药物检测研究

发布时间：2018-01-17 14:24

本文关键词：基于拉曼散射光谱的新型抗流感病毒药物检测研究　出处：《长春理工大学》2016年硕士论文　论文类型：学位论文

【摘要】：新型抗流感病毒药物中最具代表意义的就是神经氨酸酶抑制剂。本文选取我国上市的帕拉米韦三水合物氯化钠注射液和磷酸奥司他韦胶囊作为研究对象,是基于拉曼散射光谱检测与建模分析的基础研究。由实验给出药物主成分的拉曼活性峰位,随后构建了帕拉米韦三水合物与磷酸奥斯他韦的分子空间结构,并通过密度泛函方法优化计算给出了理论拉曼光谱与红外光谱,分析了理论拉曼峰位的振动频率归属。通过校正理论与实验光谱,指认了拉曼活性峰位的振动模式。针对不同配比的帕拉米韦三水合物氯化钠注射液和磷酸奥斯他韦胶囊粉末,分析给出了特征拉曼区域。最后利用线性回归函数,检验识别不同样品光谱残差,识别结果与实际相一致。本工作将有助于拉曼光谱技术在药品检测领域的研究和应用。
[Abstract]:Neuraminidase inhibitors are the most representative of the new anti-influenza virus drugs. In this paper, Palamivir trihydrate sodium chloride injection and oseltamivir phosphate capsules are selected as the research objects. The Raman active peaks of the principal components of the drug were obtained by experiments, and the molecular spatial structures of paramivir trihydrate and oseltamivir phosphate were constructed. The theoretical Raman spectra and infrared spectra are obtained by the density functional method, and the vibrational frequency assignment of the theoretical Raman peaks is analyzed, and the theoretical and experimental spectra are corrected. The vibrational mode of Raman active peak position was identified. For different proportions of paramivir trihydrate sodium chloride injection and oseltamivir phosphate capsule powder. The characteristic Raman region is given. Finally, the spectral residuals of different samples are identified by linear regression function. This work will be helpful to the research and application of Raman spectroscopy in the field of drug detection.
【学位授予单位】：长春理工大学
【学位级别】：硕士
【学位授予年份】：2016
【分类号】：TQ460.72;O657.37

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