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利用高光谱成像技术分析酱香型白酒的香气成分
食品检测
2026/09/21
摘要：本研究旨在开发一种基于高光谱成像（（ HSI）和机器学习（（ mL）的方法，用于定量分析酱油香型白酒（（ SSAB）中 醇类和酯类成分。首先，采用多种算法对 900-1700 nm 近红外范围内的光谱数据进行预处理。随后，基于全波长和特征 波长光谱数据，建立了粒子群优化-支持向量回归（（ PSO-SVR）和随机森林（（ RF）模型。在预处理方法中，外部参数正交 化（EPO）方法在大多数情况下表现出优越的建模性能。Spearman 相关性分析显示，SSAB 样品中乙醇浓度与醇类浓度 呈显著正相关，r值为0.93。乙酸乙酯和乳酸乙酯与酯类也显示出显著的正相关性，r值分别为0.87和0.88。将相关化合 物与特征波长结合作为输入，可获得高精度模型，其中醇类的R ²为0.997，RMSEP为0.118 mg/L；酯类的R ²为0.996， p p RMSEP为0.017 mg/L。结果表明，HSI技术能够实现SSAB香气中醇类和酯类的无损精准检测，为白酒香气分析提供了 一种新方法。
关键词：高光谱成像技术；酱油香型白酒；酯类物质；醇类物质；特征波长；Spearman相关性分析
期刊：Journal of Food Composition and Analysis
DOI：https://doi.org/10.1016/j.jfca.2024.106498
设备：GaiaField
Utilization of hyperspectral imaging for the analysis of aroma components of Soy Sauce-Aroma Type Baijiu
Abstract：This study sought to develop a hyperspectral imaging (HSI)- and machine learning (mL)-based method to quantitatively analyze the composition of alcohols and esters of Soy Sauce-Aroma Type Baijiu (SSAB). First, preprocessed the spectral data in the 900–1700 nm NIR range using various algorithms. Then, particle swarm optimization-support vector regression (PSO-SVR) and random forest (RF) models were established based on the full wavelength and the feature wavelength spectral data. In the preprocessing method, the external parameter orthogonalization (EPO) method demonstrated superior modeling performance in most cases. Spearman correlation analysis revealed a signiffcant positive correlation between the concentrations of ethanol and alcohols in the SSAB samples, with an r-value of 0.93. Ethyl acetate and ethyl lactate also showed a signiffcant positive correlation with esters, with r-values of 0.87 and 0.88, respectively. Combining the relevant compounds with feature wavelengths as input yields a model with high accuracy, with an R 2 of 0.997 and RMSEP of 0.118 mg/L for alcohols and an R 2 of 0.996 and RMSEP p p of 0.017 mg/L for esters. The results indicate that HSI can achieve non-destructive and accurate detection of alcohols and esters in the aroma of SSAB, providing a new method for aroma analysis in Baijiu.
Keywords：Hyperspectral imaging; Soy Sauce-Aroma Type Baijiu; Esters; Alcohols; Feature wavelengths; Spearman correlation
