基于差分拉曼光谱的药品包装纸盒快速检验分析  

Rapid Inspection and Analysis of Drug Packaging Cartons Based on Differential Raman Spectroscopy

作　　者：周飞翔 姜红 胡晓光[1] 章欣 黄凯 周贯旭 Zhou Feixiang;Jiang Hong;Hu Xiaoguang;Zhang Xin;Huang Kai;Zhou Guanxu(Detective College,People's Public Security University of China,Beijing 100038,China;Judicial Appraisal Center of Wanzijian Testing Technology Co.,Ltd.,Beijing 100141,China;Nanjing Jianzhi Instrument and Equipment Company Limited,Nanjing 210049,Jiangsu,China)

机构地区：[1]中国人民公安大学侦查学院,北京100038 [2]万子健检测技术(北京)有限公司司法鉴定中心,北京100141 [3]南京简智仪器设备有限公司,江苏南京210049

出　　处：《应用激光》2024年第11期119-128,共10页Applied Laser

摘　　要：利用差分拉曼光谱对60个药品包装纸盒样品进行检验,对样品的化学填料进行了定量定性分析,实现了对不同种类的药品包装纸盒的快速测试分析。根据填料特征峰的不同,比较样品的差分拉曼光谱发现样品可以分为5种;通过标准差标准化方法(Z-Score)对原始光谱进行预处理;利用凝聚式层次聚类算法将样品分为5类,与客观分类基本一致;利用判别分析模型进行训练,预测集和交叉验证下的准确率分别为96.7%、78.3%;建立的人工神经网络模型中,训练集和测试集的准确率分别为95.35%、82.35%;为更进一步确定特征波长对预测的重要性,使用相同的训练集和测试集建立随机森林模型,准确率分别为90.8%、85.0%,模型适用性更佳。结果表明,差分拉曼光谱能够对不同种类的药品包装纸盒进行检测,建立的通用预测模型方便快捷,为药品包装纸盒的快速检验分析奠定了基础。This study employed differential Raman spectroscopy to analyze 60 drug packaging carton samples,aiming to quantify and qualify the chemical fillers present.A novel method for rapid,non-destructive evaluation of diverse drug packaging materials was developed.The original spectrum is pre-treated by the standard deviation standardization method(Z-Score)and the sample is divided into five categories by the condensed hierarchical clustering algorithm.Classification was performed using a discriminant analysis model,which achieved accuracy rates of 96.7%and 78.3%for different models.Additionally,an artificial neural network model was trained and tested,yielding accuracy rates of 95.35%and 82.35%,respectively.To assess the predictive significance of characteristic wavelengths,a random forest model was also constructed using the same datasets,achieving higher relevance with accuracy rates of 90.8%and 85.0%.The findings demonstrate the non-destructive testing capabilities of differential Raman spectroscopy on various types of drug packaging cartons,as well as the efficiency and speed of the general prediction model,which establishes the groundwork for quick examination and evaluation of drug packaging cartons.

关 键 词：差分拉曼光谱技术 判别分析 人工神经网络 随机森林 药品包装纸盒 

分 类 号：O657[理学—分析化学] TP181[理学—化学]