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基于拉曼光谱、化学计量学和机器学习的乳制品定量识别技术

Technology for the Quantitative Identification of Dairy Products Based on Raman Spectroscopy, Chemometrics, and Machine Learning.

作者信息

Zhang Zheng-Yong, Su Jian-Sheng, Xiong Huan-Ming

机构信息

School of Management Science and Engineering, Nanjing University of Finance and Economics, Nanjing 210023, China.

Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai 200438, China.

出版信息

Molecules. 2025 Jan 9;30(2):239. doi: 10.3390/molecules30020239.

Abstract

The technologies used for the characterization and quantitative analysis of dairy products based on Raman spectroscopy have developed rapidly in recent years. At the level of spectral data, there are not only traditional Raman spectra but also two-dimensional correlation spectra, which can provide rich compositional and characteristic information about the samples. In terms of spectral preprocessing, there are various methods, such as normalization, wavelet denoising, and feature extraction. A combination of these methods with appropriate quantitative techniques is beneficial to reveal the differences between samples or improve predictive performance. Quantitative evaluation can be divided into similarity measurement methods and machine learning algorithms. When evaluating small batch samples, similarity measurements can provide quantitative discrimination results. When the sample data are sufficient and matched with Raman spectroscopy parameters, machine learning algorithms suitable for intelligent discrimination can be trained and optimized. Finally, with the rise of deep learning algorithms and fusion strategies, some challenges in this field are proposed.

摘要

近年来,基于拉曼光谱的乳制品表征及定量分析技术发展迅速。在光谱数据层面,不仅有传统拉曼光谱,还有二维相关光谱,其能提供关于样品丰富的成分和特征信息。在光谱预处理方面,有多种方法,如归一化、小波去噪和特征提取。这些方法与适当的定量技术相结合,有利于揭示样品间的差异或提高预测性能。定量评估可分为相似性测量方法和机器学习算法。评估小批量样品时,相似性测量能提供定量判别结果。当样品数据充足且与拉曼光谱参数匹配时,可训练和优化适用于智能判别的机器学习算法。最后,随着深度学习算法和融合策略的兴起,该领域提出了一些挑战。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/87aa/11767359/db4db161a269/molecules-30-00239-g001.jpg

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