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EXPRESS: Authentication of Antibiotics Using Portable Near-Infrared Spectroscopy and Multivariate Data Analysis
Applied Spectroscopy ( IF 2.2 ) Pub Date : 2020-10-14 , DOI: 10.1177/0003702820958081
Sulaf Assi 1 , Basel Arafat 2 , Kathryn Lawson-Wood 3 , Ian Robertson 3
Affiliation  

Counterfeit medicines represent a global public health threat warranting the development of accurate, rapid, and nondestructive methods for their identification. Portable near-infrared (NIR) spectroscopy offers this advantage. This work sheds light on the potential of combining NIR spectroscopy with principal component analysis (PCA) and soft independent modelling of class analogy (SIMCA) for authenticating branded and generic antibiotics. A total of 23 antibiotics were measured “nondestructively” using a portable NIR spectrometer. The antibiotics corresponded to six different active pharmaceutical ingredients being: amoxicillin trihydrate and clavulanic acid, azithromycin dihydrate, ciprofloxacin hydrochloride, doxycycline hydrochloride, and ofloxacin. NIR spectra were exported into Matlab R2018b where data analysis was applied. The results showed that the NIR spectra of the medicines showed characteristic features that corresponded to the main excipient(s). When combined with PCA, NIR spectroscopy could distinguish between branded and generic medicines and could classify medicines according to their manufacturing sources. The PCA scores showed the distinct clusters corresponding to each group of antibiotics, whereas the loadings indicated which spectral features were significant. SIMCA provided more accurate classification over PCA for all antibiotics except ciprofloxacin which products shared many overlapping excipients. In summary, the findings of the study demonstrated the feasibility of portable NIR as an initial method for screening antibiotics.

中文翻译:

EXPRESS:使用便携式近红外光谱和多变量数据分析鉴定抗生素

假药代表了全球公共卫生威胁,需要开发准确、快速和无损的方法来识别它们。便携式近红外 (NIR) 光谱提供了这一优势。这项工作揭示了将 NIR 光谱与主成分分析 (PCA) 和类别类比的软独立建模 (SIMCA) 相结合以验证品牌和通用抗生素的潜力。使用便携式 NIR 光谱仪“无损”测量了总共 23 种抗生素。抗生素对应于六种不同的活性药物成分:阿莫西林三水合物和克拉维酸、阿奇霉素二水合物、盐酸环丙沙​​星、盐酸多西环素和氧氟沙星。近红外光谱被导出到应用数据分析的 Matlab R2018b 中。结果表明,药物的近红外光谱显示出与主要赋形剂相对应的特征。当与 PCA 结合使用时,NIR 光谱可以区分品牌药品和仿制药,并可以根据药品的制造来源对药品进行分类。PCA 分数显示了与每组抗生素相对应的不同簇,而负载表明哪些光谱特征是显着的。SIMCA 为所有抗生素提供了比 PCA 更准确的分类,但环丙沙星除外,环丙沙星产品共享许多重叠的赋形剂。总之,研究结果证明了便携式 NIR 作为筛选抗生素的初始方法的可行性。当与 PCA 结合使用时,NIR 光谱可以区分品牌药品和仿制药,并可以根据药品的制造来源对药品进行分类。PCA 分数显示了与每组抗生素相对应的不同簇,而负载表明哪些光谱特征是显着的。SIMCA 为所有抗生素提供了比 PCA 更准确的分类,但环丙沙星除外,环丙沙星产品共享许多重叠的赋形剂。总之,研究结果证明了便携式 NIR 作为筛选抗生素的初始方法的可行性。当与 PCA 结合使用时,NIR 光谱可以区分品牌药品和仿制药,并可以根据药品的制造来源对药品进行分类。PCA 分数显示了与每组抗生素相对应的不同簇,而负载表明哪些光谱特征是显着的。SIMCA 为所有抗生素提供了比 PCA 更准确的分类,但环丙沙星除外,环丙沙星产品共享许多重叠的赋形剂。总之,研究结果证明了便携式 NIR 作为筛选抗生素的初始方法的可行性。而载荷表明哪些光谱特征是重要的。SIMCA 为所有抗生素提供了比 PCA 更准确的分类,但环丙沙星除外,环丙沙星产品共享许多重叠的赋形剂。总之,研究结果证明了便携式 NIR 作为筛选抗生素的初始方法的可行性。而载荷表明哪些光谱特征是重要的。SIMCA 为所有抗生素提供了比 PCA 更准确的分类,但环丙沙星除外,环丙沙星产品共享许多重叠的赋形剂。总之,研究结果证明了便携式 NIR 作为筛选抗生素的初始方法的可行性。
更新日期:2020-10-14
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