拉曼光谱与PLSR模型相结合:一种快速方法来分析大米油中的玛-瑞醇含量
Pattamapan Lomarat1, Chutima Phechkrajang2, Pawida Sunghad3
1Department of Food Chemistry, Faculty of Pharmacy, Mahidol University, Bangkok 10400, Thailand.
Food chemistry: X
|November 11, 2024
概括
这项研究引入了一种快速,非破坏性的拉曼光谱法,用于量化大米油 (RBO) 中的玛-瑞醇. 该技术提供了高精度,证明可靠的食品和化品行业的质量控制.
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:
- 米油 (RBO) 的质量通常是通过其玛-瑞醇含量来评估的.
- 目前的量化方法可能耗时且具有破坏性.
- 需要用于RBO质量控制的快速,非破坏性的分析技术.
研究的目的:
- 开发和验证一种快速,非破坏性的方法,用于在RBO中量化玛-瑞醇.
- 为此目的,利用拉曼光谱学与化学测量分析相结合.
- 评估开发方法的可靠性和准确性.
主要方法:
- 使用拉曼光谱法从RBO样本中获取光谱数据.
- 部分最小平方回归 (PLSR) 用于定量建模.
- 对光谱数据应用了正交信号校正 (OSC) 预处理和主要组件分析 (PCA).
- 结果与高性能液态染色学 (HPLC) 通过布兰德-阿尔特曼分析进行了验证.
主要成果:
- 一个最佳的PLSR模型实现了高精度 (R2 = 0.9827) 和低预测误差 (RMSEP = 0.5314).
- 在OSC预处理中,基于玛-瑞醇度进行了增强的样本区分.
- 在OSC治疗后,PCA显示了更好的样本分组.
- 布兰德-阿尔特曼图片证实了拉曼光谱和HPLC方法之间的良好一致性.
结论:
- 拉曼光谱与PLSR和OSC相结合,提供了一种可靠和准确的方法,用于在RBO中量化玛-瑞醇.
- 这种非破坏性技术适用于食品,营养药品和化品行业的快速质量控制.
- 开发的方法为传统分析方法提供了可行的替代方案.
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A conventional Raman spectrophotometer includes a laser source, a sample holding system, a wavelength selector, and a detector.
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The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...
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