药品快速鉴别近红外光谱判别模型的研究  

Research on near-infrared spectroscopy discriminant model for rapid identification of drugs

作　　者：赵瑜[1] 尹利辉[1] 邵学广[2] ZHAO Yu;YIN Lihui;SHAO Xueguang(National Institutes for Food and Drug Control,Beijing 102629,China;College of Chemistry,Nankai University,Tianjin 300071,China)

机构地区：[1]中国食品药品检定研究院,北京102629 [2]南开大学化学学院,天津300071

出　　处：《中国药品标准》2023年第4期351-355,共5页Drug Standards of China

基　　金：国家药典委标准提高课题(2022Y17)。

摘　　要：目的:建立用于药品快速鉴别的近红外光谱模型。方法:利用主成分分析计算已知类别药品近红外光谱的特征和残差并利用二者统计参数的对数建立二维空间logTQ判别模型,应用模型时,将未知类别药品的近红外光谱投影到模型的主成分空间并计算特征和残差的统计参数,根据未知药品统计参数与模型参数的统计检验进行定性鉴别。结果:logTQ模型对不同品种、不同厂家、不同规格的药品具有较好的判别结果,但对于某些处方较复杂的剂型(如颗粒剂),判别结果受处方特点的影响,表现出与化学分布特点相对应的区分能力。结论:利用近红外光谱结合准确的化学计量学模型的应用,可以实现药品品种、生产厂家、规格三个层次的快速鉴别,为药品科学监管提供有效的手段。Objective:To establish a near-infrared spectroscopy model for rapid drug identification.Methods:The characteristics and residuals of the near-infrared spectra of known class drugs were calculated by principal component analysis,and the two-dimensional spatial logTQ discriminant model was established by using the logarithm of the two statistical parameters,and when the model was applied,the near-infrared spectrum of unknown class drugs was projected into the principal component space of the model and the statistical parameters of the characteristics and residuals were calculated,and the qualitative identification was carried out according to the statistical test of unknown drug statistical parameters and model parameter.Results:The logTQ model has good discrimination results for drugs of different varieties,different manufacturers and specifications,but for some more complex dosage forms(such as granules),the discrimination results were affected by the characteristics of the prescription and showed the ability to distinguish corresponding to the chemical distribution characteristics.Conclusion:The application of near-infrared spectroscopy combined with accurate chemometric models can realize the rapid identification of drug varieties,manufacturers and specifications,and provide an effective means for scientific supervision of drugs.

关 键 词：近红外光谱 化学计量学 定性模型 logTQ判别模型 快速鉴别 

分 类 号：R921.2[医药卫生—药学]