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近红外手持光谱仪用于检测假冒片剂的性能。

Performance of NIR handheld spectrometers for the detection of counterfeit tablets.

机构信息

F. Hoffmann-La Roche Ltd., Bldg 250 Room 3.504.01, Wurmisweg, 4303 Kaiseraugst, Switzerland.

F. Hoffmann-La Roche Ltd., Bldg 250 Room 3.504.01, Wurmisweg, 4303 Kaiseraugst, Switzerland.

出版信息

Talanta. 2017 Apr 1;165:632-640. doi: 10.1016/j.talanta.2016.12.063. Epub 2017 Jan 6.

DOI:10.1016/j.talanta.2016.12.063
PMID:28153309
Abstract

Near Infrared (NIR) spectroscopy is an attractive tool for pharmaceutical analyses. While lab spectrometers are very performant, they are expensive and due to their size, not adapted for field analyses. In this study, two handheld NIR spectrometers have been evaluated for the fast detection of counterfeits of pharmaceutical tablets: one low cost sensor providing a short wavelength NIR range (swNIR) and one handheld spectrometer providing a classical NIR range (cNIR). A large database containing almost all the tablets produced by the firm was created on each spectrometer. A screening for supervised classifications was performed in order to determine the most accurate model for product authentication. A Support Vector Machine (SVM) model was finally chosen for the swNIR, providing 100% of correct identification in calibration and 96.0% in validation, and a Linear Discriminant Analysis (LDA) model was chosen for the cNIR delivering 99.9% of correct identification in calibration and 91.1% in validation. Challenging samples (counterfeits and generics) could be 100% identified by the chosen classifiers combined with a class name check and a correlation distance. Statistical tests were used to compare the performance of selected swNIR and cNIR models. These results demonstrate that both devices can be used for tablet identification and the detection of counterfeits.

摘要

近红外(NIR)光谱学是一种有吸引力的药物分析工具。虽然实验室光谱仪性能非常出色,但它们价格昂贵,而且由于体积大,不适合现场分析。在这项研究中,评估了两种用于快速检测药物片剂假冒品的手持式近红外光谱仪:一种提供短波长近红外范围(swNIR)的低成本传感器和一种提供经典近红外范围(cNIR)的手持式光谱仪。在每个光谱仪上创建了一个包含几乎所有该公司生产的片剂的大型数据库。进行了监督分类筛选,以确定用于产品认证的最准确模型。最终选择支持向量机(SVM)模型用于 swNIR,在校准和验证中分别提供 100%和 96.0%的正确识别,以及线性判别分析(LDA)模型用于 cNIR,在校准和验证中分别提供 99.9%和 91.1%的正确识别。通过选择的分类器与类别名称检查和相关距离相结合,可以 100%识别具有挑战性的样品(假冒品和仿制药)。使用统计检验比较了选定的 swNIR 和 cNIR 模型的性能。这些结果表明,这两种设备都可用于片剂识别和假冒品检测。

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