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使用异质近红外光谱设备进行训练和测试支持向量机,实现对伪造阿莫西林胶囊的无设备依赖性鉴别。

Device-Independent Discrimination of Falsified Amoxicillin Capsules Using Heterogeneous Near-Infrared Spectroscopic Devices for Training and Testing of a Support Vector Machine.

机构信息

Research Institute of Pharmaceutical Sciences, 13214Musashino University, Tokyo, Japan.

Faculty of Engineering, 13214Musashino University, Tokyo, Japan.

出版信息

Appl Spectrosc. 2021 Oct;75(10):1251-1261. doi: 10.1177/0003702821999659. Epub 2021 Mar 8.

DOI:10.1177/0003702821999659
PMID:33599512
Abstract

The objective of this work is to demonstrate the potential of near-infrared spectroscopy for common screening of falsified medicines in the field by means of a device-independent universal discrimination approach. In order to provide a useful discrimination tool to protect people from low-quality medical products, not only is a low-cost and portable screening device necessary, but a reference library is also essential. The authors believe that a device-dependent reference library inhibits near-infrared spectroscopy from becoming a popular screening tool. In this study, to develop a device-independent method, discrimination performance is evaluated using different devices for training and testing. The training data sets for the reference library were prepared using a bench-top Fourier transform near-infrared spectrophotometer, and predictive discrimination was performed using the spectral data by a low-cost and portable wavelength dispersive near-infrared spectrophotometer. A near-infrared spectrum-based support vector machine was used for these purposes, but the screening resulted in low accuracy thought to be caused by the intrinsically device-dependent features of the spectra data. Thus, principal component analysis was performed to collect the proper components to discriminate low-quality products from standard products. The principal component score-based support vector machine was able to produce highly accurate results, identifying falsified products with no false positive cases.

摘要

本工作旨在通过一种设备独立的通用判别方法,展示近红外光谱在现场对假药进行常规筛查的潜力。为了提供一种有用的鉴别工具来保护人们免受劣质医疗产品的侵害,不仅需要低成本、便携式的筛选设备,而且还需要参考库。作者认为,依赖设备的参考库会阻碍近红外光谱成为一种流行的筛选工具。在这项研究中,为了开发一种设备独立的方法,使用不同的设备进行训练和测试来评估判别性能。参考库的训练数据集是使用台式傅里叶变换近红外分光光度计制备的,并且使用低成本、便携式波长色散近红外分光光度计的光谱数据进行预测性判别。为此使用了基于近红外光谱的支持向量机,但由于光谱数据固有的设备依赖性特征,筛选结果的准确性较低。因此,进行了主成分分析以收集适当的成分,以将低质量产品与标准产品区分开来。基于主成分得分的支持向量机能够产生非常高的准确性结果,能够识别出没有假阳性案例的伪造产品。

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