Artificial intelligence-aided electrochemical sensors for capturing and analyzing fingerprint profiles of medicinal materials

IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY International Journal of Electrochemical Science Pub Date : 2024-11-22 DOI:10.1016/j.ijoes.2024.100887
Zuzheng Chang , Hongwei Sun
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Abstract

This study explores the application of artificial intelligence-aided electrochemical sensors for authenticating medicinal materials, focusing on sika deer antler cap powder. Utilizing differential pulse voltammetry and graphene-modified screen-printed electrodes, we developed a novel method to capture unique electrochemical fingerprints of authentic, counterfeit, and adulterated samples. Three machine learning models—Support Vector Machine (SVM), Random Forest (RF), and Extreme Learning Machine (ELM)—were evaluated using both full voltammogram and principal component analysis (PCA) reduced features. The SVM model with PCA-reduced features emerged as the optimal approach, achieving a classification accuracy of 97.9 % while reducing training time by 65.6 % (from 3.2 s to 1.1 s) and prediction time by 71.4 % (from 0.07 s to 0.02 s per sample) compared to using full voltammogram features. This reduction in computational complexity was achieved by decreasing the input dimensionality from 601 to 5 features through PCA, while maintaining high classification performance across all sample categories. This model demonstrated high sensitivity (>97 %) and specificity (>98 %) across all sample categories, with a notably low limit of detection for adulteration at 2.8 %. Characteristic peaks, such as the pantocrin peak at 0.25 V for authentic samples, provided a robust basis for differentiation. The method's effectiveness in detecting subtle adulterations was evidenced by its ability to identify samples with as low as 5 % adulteration. Furthermore, the approach showed excellent generalization, maintaining 97.0 % accuracy on an independent validation set. These findings highlight the potential of this technique for rapid, accurate, and cost-effective authentication of medicinal materials, addressing the growing challenge of counterfeit products in the pharmaceutical industry.
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用于捕捉和分析药用材料指纹图谱的人工智能辅助电化学传感器
本研究探讨了人工智能辅助电化学传感器在鉴定药用材料方面的应用,重点是梅花鹿鹿茸盖粉。利用差分脉冲伏安法和石墨烯修饰的丝网印刷电极,我们开发了一种新方法来捕捉真品、假货和掺假样品的独特电化学指纹。我们使用全伏安图和主成分分析(PCA)缩减特征对支持向量机(SVM)、随机森林(RF)和极限学习机(ELM)这三种机器学习模型进行了评估。使用 PCA 缩减特征的 SVM 模型成为最佳方法,分类准确率达到 97.9%,与使用完整伏安图特征相比,训练时间减少了 65.6%(从 3.2 秒减少到 1.1 秒),预测时间减少了 71.4%(每个样本从 0.07 秒减少到 0.02 秒)。计算复杂度的降低是通过 PCA 将输入维度从 601 个特征减少到 5 个特征实现的,同时在所有样本类别中保持了较高的分类性能。该模型在所有样品类别中均表现出较高的灵敏度(97%)和特异度(98%),掺假检测限明显较低,仅为 2.8%。特征峰,如真品样品中 0.25 V 的泛素峰,为鉴别提供了可靠的依据。该方法能够识别掺假率低至 5% 的样品,这证明了它在检测细微掺假方面的有效性。此外,该方法还显示出卓越的通用性,在独立验证集上保持了 97.0% 的准确率。这些研究结果凸显了该技术在快速、准确和经济高效地鉴定药用材料方面的潜力,从而应对制药行业日益严峻的假冒产品挑战。
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来源期刊
CiteScore
3.00
自引率
20.00%
发文量
714
审稿时长
2.6 months
期刊介绍: International Journal of Electrochemical Science is a peer-reviewed, open access journal that publishes original research articles, short communications as well as review articles in all areas of electrochemistry: Scope - Theoretical and Computational Electrochemistry - Processes on Electrodes - Electroanalytical Chemistry and Sensor Science - Corrosion - Electrochemical Energy Conversion and Storage - Electrochemical Engineering - Coatings - Electrochemical Synthesis - Bioelectrochemistry - Molecular Electrochemistry
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