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Qualitative and quantitative determination of coumarin using surface-enhanced Raman spectroscopy coupled with intelligent multivariate analysis

机译:使用表面增强拉曼光谱结合智能多元分析定性和定量测定香豆素

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Coumarin is harmful to health but still used in cosmetics, tobacco, or illegally added into food as a spice in trace amounts so that it is exceedingly difficult to be determined accurately. Thus, it is important to develop a reliable method to qualitatively and quantitatively determine coumarin. Herein, we report a coumarin detection method using surface-enhanced Raman spectroscopy (SERS) coupled with an intelligent multivariate analysis. First, a flower-like silver-based substrate was fabricated and characterized by XRD, TEM, and EDS. Subsequently, coumarin with different concentrations was detected using this flower-like silver as the SERS substrate. The Raman vibration assignments reflect the information about the structure of the coumarin molecule efficiently. The limits of detection (LOD) for coumarin using the flower-like silver substrate can reach 10?8 M. It means the detection limit of coumarin by this method is less than 1.46 μg kg?1, which is much more sensitive than the previously reported one. Based on the Raman characteristic peaks of coumarin, various methods like linear regression, binary linear regression, and PCA were used to quantitatively analyze coumarin. These analysis results show that with the binary linear regression model, a strong linear relationship between lg?I (I is the Raman peak intensity) and ?lg?C (C is the concentration of coumarin) can be observed and the correlation coefficient R2 was close to 1. This method provides a high sensitivity and rapid method to detect the additives in food and cosmetics, etc.
机译:香豆素对健康有害,但仍用于化妆品,烟草或作为香料非法添加到食品中,因此很难进行准确测定。因此,开发定性和定量测定香豆素的可靠方法很重要。在本文中,我们报告了使用表面增强拉曼光谱(SERS)结合智能多元分析的香豆素检测方法。首先,制造了花朵状的银基基材,并通过XRD,TEM和EDS对其进行了表征。随后,使用该花状银作为SERS底物检测出不同浓度的香豆素。拉曼振动分配有效地反映了香豆素分子结构的信息。花状银底物对香豆素的检出限可以达到10 ?8 M。 1.46μgkg <小> ?1 ,比以前报道的灵敏得多。基于香豆素的拉曼特征峰,采用线性回归,二元线性回归和PCA等多种方法对香豆素进行定量分析。这些分析结果表明,使用二元线性回归模型,lg? I I 是拉曼峰强度)与?lg? C之间存在很强的线性关系。 C 是香豆素的浓度),相关系数 R 2 为接近1。此方法提供了一种高灵敏度和快速的方法,用于检测食品和化妆品等中的添加剂。

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