应用到ATR-FTIR数据的多变量曲线分辨率方法,用于对处女子油的伪造评估
Michele De Luca1, Giuseppina Ioele1, Fedora Grande1
1Department of Pharmacy, Health and Nutritional Science, University of Calabria, 87036 Rende, Italy.
检测伪造的初级子油 (VCO) 对消费者安全至关重要. 这项研究成功地使用了富里埃变换红外光谱 (FTIR) 和MCR-ALS来准确识别和量化VCO中常见的造物.
科学领域:
- 分析化学 分析化学
- 食品科学 食品科学 食品科学
- 频谱学是一种光谱学.
背景情况:
- 处女子油 (VCO) 是一种有价值的功能性食品,但其经济重要性使其易受廉价油的改.
- 伪造对消费者造成健康和安全风险,需要可靠的分析方法来进行质量控制.
研究的目的:
- 开发和验证一种快速,准确和精确的分析技术,用于检测VCO中的造.
- 使用光谱方法量化VCO中改剂的成分.
主要方法:
- 福里埃变换红外光谱法 (FTIR) 与多变量曲线分辨率交替最小平方 (MCR-ALS) 方法相结合.
- 一种两步的方法,包括用于纯度评估的控制图和用于混合物成分分析的校准模型.
- 数据预处理技术包括衍生 (Savitzky-Golay) 和标准正常变量,通过遗传算法 (GA) 进行优化.
主要成果:
- 在外部验证期间,MCR-ALS方法与Savitzky-Golay预处理实现了纯VCO样本的100%正确分类.
- 使用MCR-ALS开发的校准模型与衍生品和标准正常品种进行预处理,准确量化伪造剂,错误率低 (RMSEP 1.79-2.66%,RE% 6.48-8.35%).
- 经过优化后的模型显示,对伪造剂的定量定量是令人满意的,绝对误差和RMSEP分别低于4.6%和1.470.
结论:
- 与MCR-ALS相结合的FTIR光谱是验证VCO纯度和量化染物的高效工具.
- 开发的分析程序为食品工业中处女子油的质量控制提供了快速,准确和精确的解决方案.
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