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使用电化学测量、机器学习和掺硼金刚石电极对咖啡罐中的咖啡因进行定量分析。

Quantification of caffeine in coffee cans using electrochemical measurements, machine learning, and boron-doped diamond electrodes.

机构信息

Sensing System Research Center, National Institute of Advanced Industrial Science and Technology (AIST), Tosu, Saga, Japan.

Graduate School of Science and Engineering, Saga University, Saga, Japan.

出版信息

PLoS One. 2024 Mar 26;19(3):e0298331. doi: 10.1371/journal.pone.0298331. eCollection 2024.

Abstract

Electrochemical measurements, which exhibit high accuracy and sensitivity under low contamination, controlled electrolyte concentration, and pH conditions, have been used in determining various compounds. The electrochemical quantification capability decreases with an increase in the complexity of the measurement object. Therefore, solvent pretreatment and electrolyte addition are crucial in performing electrochemical measurements of specific compounds directly from beverages owing to the poor measurement quality caused by unspecified noise signals from foreign substances and unstable electrolyte concentrations. To prevent such signal disturbances from affecting quantitative analysis, spectral data of voltage-current values from electrochemical measurements must be used for principal component analysis (PCA). Moreover, this method enables highly accurate quantification even though numerical data alone are challenging to analyze. This study utilized boron-doped diamond (BDD) single-chip electrochemical detection to quantify caffeine content in commercial beverages without dilution. By applying PCA, we integrated electrochemical signals with known caffeine contents and subsequently utilized principal component regression to predict the caffeine content in unknown beverages. Consequently, we addressed existing research problems, such as the high quantification cost and the long measurement time required to obtain results after quantification. The average prediction accuracy was 93.8% compared to the actual content values. Electrochemical measurements are helpful in medical care and indirectly support our lives.

摘要

电化学测量在低污染、受控电解质浓度和 pH 值条件下具有高精度和高灵敏度,已被用于测定各种化合物。电化学定量能力随着测量对象复杂性的增加而降低。因此,由于来自杂质的不确定噪声信号和不稳定的电解质浓度导致测量质量较差,因此在直接从饮料中对特定化合物进行电化学测量时,溶剂预处理和电解质添加至关重要。为了防止这些信号干扰影响定量分析,必须对电化学测量的电压-电流值的光谱数据进行主成分分析(PCA)。此外,即使单独的数值数据难以分析,该方法也能实现高度精确的定量。本研究利用掺硼金刚石(BDD)单芯片电化学检测,无需稀释即可定量测定商业饮料中的咖啡因含量。通过应用 PCA,我们将电化学信号与已知的咖啡因含量相结合,然后利用主成分回归预测未知饮料中的咖啡因含量。因此,我们解决了现有的研究问题,例如高定量成本和定量后获得结果所需的长时间测量。与实际含量值相比,平均预测准确度为 93.8%。电化学测量在医疗保健中很有帮助,并间接地支持我们的生活。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fabe/10965095/03da68b3438e/pone.0298331.g001.jpg

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