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基于红外光谱技术结合化学计量学快速鉴别药用复合膜组合材料OA北大核心CSTPCD

Rapid Identification of Pharmaceutical Composite Film Composites Based on Infrared Spectroscopy Combined with Chemometrics

中文摘要英文摘要

目的 通过红外光谱技术结合化学计量学对药用复合膜的组合材料经行定性鉴别,分析判断各自的特征吸收峰.方法 利用傅里叶变换红外光谱仪采集不同厂家多个批次复合膜样品的红外光谱图,原始光谱进过预处理后,采用系统聚类分析(HCA)、相似度分析以及正交偏最小二乘判别分析法(OPLS-DA)对红外光谱数据进行分析.结果根据得到的红外光谱数据,将样品分为聚乙烯(PE)、聚酯(PET)和聚丙烯(PP)3 种组合材料,各自的特征频率分布基本一致,只是峰强度存在差别.通过上述 3 种化学计量学方法的辅助分析,结果一致的情况下进一步确定了分类标准,符合研究要求.结论 该方法分辨度好,可以快速、有效地识别药用复合膜的不同组合材料,为有关材料的红外光谱鉴别提供依据.

Objective To qualitatively identify the combined materials of pharmaceutical composite films by infrared spectroscopy combined with chemometrics,and to analyse and determine the respective characteristic absorption peaks.Methods The infrared spectra of several batches of composite film samples from different manufacturers were collected by Fou-rier transform infrared spectrometer.After the raw spectra were pre-processed,the infrared spectral data were analysed by hierar-chical cluster analysis(HCA),similarity analysis and orthogonal partial least squares discriminant analysis(OPLS-DA).Results Based on the IR spectral data obtained,the samples were classified into three combinations of polyethylene(PE),pol-yester(PET)and polypropylene(PP)materials,and their respective eigenfrequency distributions were basically the same,with only differences in peak intensities.Through the auxiliary analysis of the three chemometric methods mentioned above,the classi-fication criteria were further determined when the results were consistent,which met the requirements of the study.Conclusion The present method has good resolution and allows for the rapid and effectively identify the different combination materials of pharmaceutical composite films,providing a basis for the infrared identification of the materials concerned.

朱碧君;辜倩;汪元亮;熊马剑;郑国高;赵霞

江西省药品检验检测研究院,国家药品监督管理局中成药质量评价重点实验室,江西省药品与医疗器械质量工程技术研究中心,南昌 330029江西省药品检验检测研究院,国家药品监督管理局中成药质量评价重点实验室,江西省药品与医疗器械质量工程技术研究中心,南昌 330029||江西中医药大学药学院,南昌 330004江西雅太药用包装有限公司,九江 332020中国食品药品检定研究院,北京 100050

药学

药用复合膜聚酯聚丙烯聚乙烯红外光谱化学计量学

Pharmaceutical composite filmsPolyesterPolypropylenePolyethyleneInfrared spectroscopyChemomet-rics

《医药导报》 2024 (005)

700-705 / 6

江西省科技重点研发计划项目(20192BBGL70047);中国食品药品检定研究院中青年发展研究基金项目资助(2023C6).

10.3870/j.issn.1004-0781.2024.05.005

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