Utilizing X-ray diffraction in conjunction with competitive adaptive reweighted sampling (CARS) and principal component analysis for the discrimination of medicinal pearl powder and nacre powder

IF 1.8 4区化学 Q3 CHEMISTRY, ANALYTICAL

Analytical Sciences Pub Date : 2024-06-28 DOI:10.1007/s44211-024-00624-5

Chaogang Xing, Jingqun Yuan, Chenyang Shi, Xuancheng Chen, Shimin Li

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引用次数: 0

Abstract

Nacre powder, often utilized to counterfeit medicinal pearl powder due to their similar chemical composition and appearance, poses a challenge in product authentication. This study introduces a rapid and efficient method for distinguishing between medicinal pearl powder and nacre powder using X-ray diffraction in conjunction with principal component analysis (PCA). The X-ray diffraction pattern underwent preprocessing techniques including smoothing denoising (Savitzky-Golay filter, 5-point) and second-order derivative analysis. Subsequently, PCA was employed for dimensionality reduction modeling. The CARS method was applied to select optimal variables for model refinement, determining the data preprocessing approach and key modeling variables. This method demonstrates the capability to accurately differentiate between pearl powder, nacre powder, and even counterfeit samples containing up to 90% pearl powder. With a high accuracy rate, swift operational speed, and potential for automation, this approach shows promise for practical implementation in the realm of pearl powder quality control.

Graphical abstract

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将 X 射线衍射与竞争性自适应再加权采样（CARS）和主成分分析相结合，用于鉴别药用珍珠粉和珍珠母粉。

由于化学成分和外观相似，珍珠粉经常被用来伪造药用珍珠粉，这给产品认证带来了挑战。本研究介绍了一种利用 X 射线衍射结合主成分分析（PCA）来区分药用珍珠粉和珍珠母粉的快速有效方法。X 射线衍射图样经过平滑去噪（萨维茨基-戈莱滤波器，5 点）和二阶导数分析等预处理技术。随后，采用 PCA 进行降维建模。采用 CARS 方法选择最佳变量进行模型完善，确定数据预处理方法和关键建模变量。该方法证明了准确区分珍珠粉、珍珠母粉甚至是珍珠粉含量高达 90% 的假冒样品的能力。这种方法准确率高、运行速度快，并具有自动化的潜力，因此有望在珍珠粉质量控制领域得到实际应用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Analytical Sciences 化学-分析化学

CiteScore

2.90

自引率

18.80%

发文量

232

审稿时长

1 months

期刊介绍： Analytical Sciences is an international journal published monthly by The Japan Society for Analytical Chemistry. The journal publishes papers on all aspects of the theory and practice of analytical sciences, including fundamental and applied, inorganic and organic, wet chemical and instrumental methods. This publication is supported in part by the Grant-in-Aid for Publication of Scientific Research Result of the Japanese Ministry of Education, Culture, Sports, Science and Technology.