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基于自动编码器和残差模型结合便携式拉曼光谱法对米粉中吊白块掺假的快速定量分析

Rapid quantitative analysis of Rongalite adulteration in rice flour using autoencoder and residual-based model associated with portable Raman spectroscopy.

作者信息

Li Shiwen, Li Tian, Cai Yaoyi, Yao Zekai, He Miaolei

机构信息

College of Engineering and Design, Hunan Normal University, Changsha, Hunan 410081, PR China.

College of Engineering and Design, Hunan Normal University, Changsha, Hunan 410081, PR China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2024 Jan 5;304:123382. doi: 10.1016/j.saa.2023.123382. Epub 2023 Sep 9.

DOI:10.1016/j.saa.2023.123382
PMID:37725883
Abstract

Rice flour is a raw material for various foods and is used as a substitute for wheat flour. However, some merchants adulterate rice flour with the illegal additive Rongalite to extend the shelf life and earn illegal profits. Rongalite is highly carcinogenic, and ingestion of more than 10 g can even cause death. high-performance liquid chromatography (HPLC) and mass spectrometry (MS) are currently the main methods for detecting food adulteration, however, the existing methods have many limitations, complex operation, expensive instrumentation, etc. Raman spectroscopy has the advantages of convenience and non-destructive samples, but Raman spectroscopy can be affected by interference such as fluorescence background that affects detection, in addition to the problem of difficult quantitative analysis due to nonlinear bias. In this article, we used the preprocessing method of Savitzky-Golay smoothing filtering and VTPspline to improve the quality of the spectra and proposed the SARNet, which combines autoencoder and residual network to achieve the quantitative analysis of Rongalite content in rice flour. The new model combines a linear model with a nonlinear model, which can solve the nonlinear problem effectively. Experiments showed that the new SARNet model achieved state-of-the-art results, achieving the best R of 0.9703 and RMSEP of 0.0075. The lowest Rongalite concentration detected by the portable Raman spectrometer was 0.49%. In summary, the proposed method using portable Raman spectroscopy combined with machine learning has low detection bias and high accuracy, which can realize quantitative analyses of adulterated Rongalite in rice flour quickly. The method provides an accurate and nondestructive analytical tool in the field of food detection.

摘要

米粉是各种食品的原料,可用作小麦粉的替代品。然而,一些商家用非法添加剂雕白粉 adulterate 米粉,以延长保质期并赚取非法利润。雕白粉具有高度致癌性,摄入超过10克甚至会导致死亡。高效液相色谱法(HPLC)和质谱法(MS)是目前检测食品 adulteration 的主要方法,然而,现有方法存在许多局限性,操作复杂、仪器昂贵等。拉曼光谱具有方便和对样品无损的优点,但拉曼光谱会受到荧光背景等干扰的影响,从而影响检测,此外还存在由于非线性偏差导致定量分析困难的问题。在本文中,我们使用了Savitzky-Golay平滑滤波和VTP样条的预处理方法来提高光谱质量,并提出了结合自动编码器和残差网络的SARNet,以实现米粉中雕白粉含量的定量分析。新模型将线性模型与非线性模型相结合,能够有效解决非线性问题。实验表明,新的SARNet模型取得了领先的结果,最佳R为0.9703,RMSEP为0.0075。便携式拉曼光谱仪检测到的最低雕白粉浓度为0.49%。综上所述,所提出的使用便携式拉曼光谱结合机器学习的方法具有低检测偏差和高精度,能够快速实现米粉中 adulterated 雕白粉的定量分析。该方法为食品检测领域提供了一种准确且无损的分析工具。

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