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Smartphone-based image analysis and chemometric pattern recognition of the thin-layer chromatographic fingerprints of herbal materials

机译:基于智能手机的草药材料薄层色谱指纹图谱分析和化学计量模式识别

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Thin-layer chromatography (TLC) is commonly used as a screening method to verify the identity and quality of dried herbal medicinal plant material. While TLC is relatively simple, the method still requires technical experience and relies on the subjective classification of sample TLC profiles as “within-specifications” or “off-specifications.” In this work, we report the development of an objective TLC-based system for the identification and quality assessment of herbal medicinal materials. Our proposed system is a miniaturized Pharmacopeia-based TLC method coupled with a smartphone app that allows for an objective interpretation of TLC profiles via multivariate image analysis and chemometric fingerprinting. An image of the TLC profile is captured using a smartphone camera interfaced with a 3D-printed photo-box, and the analysis is automated using a framework of pre-uploaded algorithms hosted on a cloud server. The TLC profile image is converted to an unfolded red, green, and blue (RGB) channel intensity profile, and classified as “within-specifications” or “off-specifications” using aggregated Soft Independent Modeling of Class Analogy (SIMCA) models. We present the application of our system to two herbal medicinal plants, Blumea balsamifera and Vitex negundo. The proposed system demonstrates 90.2% sensitivity and 86.2% specificity for B. balsamifera classification, and 81.4% sensitivity and 92.0% specificity for V. negundo classification when compared to the respective laboratory-based Pharmacopeia TLC protocols for the ability to distinguish authentic samples from non-authentic and degraded samples. The system developed in this work is a cost-effective, rapid method that can serve as a herbal material quality assessment tool in resource-limited settings.
机译:薄层色谱(TLC)通常用作筛选方法,以验证干草药植物材料的身份和质量。尽管TLC相对简单,但该方法仍需要技术经验,并依赖于将样品TLC轮廓的主观分类为“规格内”或“规格外”。在这项工作中,我们报告了基于客观TLC的系统的发展,该系统用于鉴定和评估草药材料。我们提出的系统是基于药典的微型TLC方法,结合智能手机应用程序,可以通过多元图像分析和化学计量指纹图谱对TLC资料进行客观的解释。使用带3D打印照片盒的智能手机相机捕获TLC配置文件的图像,并使用托管在云服务器上的预上传算法框架自动进行分析。 TLC轮廓图图像转换为展开的红色,绿色和蓝色(RGB)通道强度轮廓图,并使用汇总的类比软独立建模(SIMCA)模型分类为“不符合规格”或“不符合规格”。我们介绍了我们的系统在两种草药中的应用:Balme balsamifera和Vitex negundo。与分别基于实验室的药典TLC规程相比,拟议的系统显示出对杆状芽孢杆菌分类的90.2%敏感性和86.2%的特异性,对负条芽孢杆菌分类的81.4%敏感性和92.0%的特异性-真实和降级的样本。在这项工作中开发的系统是一种经济高效的快速方法,可以在资源有限的环境中用作草药材料质量评估工具。

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