减弱总反射中红外光谱检查奥地利和法国多年小麦的脱氧尼瓦伦
Stephan Freitag1, Maximilian Anlanger1, Polina Fomina2
1BOKU University, Institute of Bioanalytics and Agro-Metabolomics, Department of Agricultural Sciences, Konrad-Lorenz-Straße 20, 3430 Tulln an der Donau, Austria.
概括
减弱总反射中红外光谱 (ATR-MIRS) 可以快速选小麦中的脱氧尼瓦伦醇 (DON). 这种方法有效地评估复杂的多年样本中的污染,强调了样本选择对于准确的真菌毒素分析的重要性.
科学领域:
- 农业化学 农业化学
- 分析化学 分析化学
- 频谱学是一种光谱学.
背景情况:
- 菌毒素污染,特别是脱氧尼瓦伦醇 (DON),对食品安全和质量构成重大风险.
- 快速和绿色选方法对于农产品中真菌毒素的有效管理至关重要.
- 减弱总反射中红外光谱学 (ATR-MIRS) 提供高通量分析,但需要对复杂的样本矩阵进行验证.
研究的目的:
- 评估ATR-MIRS在复杂的小麦样本集中选脱氧尼瓦伦醇 (DON) 污染的有效性.
- 开发和验证化学测量模型,用于将小麦样品分类为符合或不符合欧盟委员会 (EC) 监管限制.
- 调查样本特征和数据处理对模型性能的影响.
主要方法:
- 在多年的时间里,对来自奥地利和法国的320个自然污染的小麦样本进行分析.
- 使用部分最小平方差分分析 (PLS-DA) 开发选模型.
- 重复嵌套交叉验证以评估模型性能,包括真正阳性率.
主要成果:
- 在多种多年小麦样本中,ATR-MIRS成功选了DON污染.
- PLS-DA模型显示了可变性能 (真正阳性率为0.321),受样本分割,数据集平衡和光谱预处理的影响.
- 预测 (VIP) 评分中的变量重要性表明,与蛋白质和碳水化合物相关的光谱特征是分类的关键.
结论:
- ATR-MIRS是一种可行的技术,用于评估复杂的多年小麦数据集中的DON污染,与监管标准保持一致.
- 在真菌毒素查中,最佳的样本选择和数据处理策略对于稳健的化学测量模型开发至关重要.
- 在DON分析过程中,MIRS有潜力了解菌毒性真菌对小麦成分的影响.
相关概念视频
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Attenuated total reflectance (ATR) infrared spectroscopy is a powerful analytical technique used to study the composition of materials. It is widely employed in chemistry, materials science, forensic science, and other fields where sample characterization is required. ATR has several advantages over traditional transmission IR spectroscopy, including the requirement of little to no sample preparation and the ability to analyze a wide range of samples.
The ATR process begins by directing a beam...
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