通过非线性拉曼光谱模型在乙醇溶液中快速检测甲醇
Somaye Vali Zade1, Hossein Rastegar2, Hamid Abdollahi3
1Halal Research Center of IRI, Food and Drug Administration, Ministry of Health and Medical Education, Tehran, Iran.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
|October 11, 2025
概括
本研究提出了一种快速,非破坏性的拉曼光谱法,用于检测饮料中的甲醇. 核心PLS模型准确量化甲醇,确保产品安全和质量控制.
科学领域:
- 分析化学 分析化学
- 频谱学是一种光谱学.
- 化学测量 化学测量 化学测量
背景情况:
- 乙醇制品中的甲醇污染由于其毒性而对健康构成严重危险.
- 准确和快速的检测方法对于各种行业的质量控制至关重要.
研究的目的:
- 开发一种快速,非破坏性的方法来检测和量化酒精饮料中的甲醇.
- 为了比较不同化学测量模型在甲醇分析中的有效性.
主要方法:
- 拉曼光谱法用于光谱采集.
- 化学测量模型包括部分最小平方 (PLS),间隔PLS (iPLS),内核PLS和辐射基函数人工神经网络 (RBF-ANN) 被利用.
- 用优化的间隔分析了光谱数据,以提高准确性.
主要成果:
- 核心PLS模型表现出最佳性能,测试组的相对预测误差 (REP%) 低,为6.84%.
- 对真实样本的验证显示,甲醇量化绝对相对误差低于10%.
- 开发的方法需要最小的样本准备,并且比传统方法提供更短的分析时间.
结论:
- 拉曼光谱与化学测量相结合,为甲醇检测和量化提供了快速而准确的方法.
- 这种技术适用于食品,制药和化品行业的质量控制应用.
- 核心PLS模型显示了实时甲醇监测的重大前景.
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