中红外光谱技术结合竞争性自适应重加权算法快速分析白酒风味组分  

Rapid analysis of flavor component of Baijiu by mid-infrared spectroscopy combined with CARS method

作　　者：宋艳[1] 杨洋 张学平 许驰 王毓 蔡亮 李子文 SONG Yan;YANG Yang;ZHANG Xueping;XU Chi;WANG Yu;CAI Liang;LI Ziwen(Luzhou Laojiao Co.,Ltd.,Luzhou 646000,China;China National Research Institute of Food and Fermentation Industries Co.,Ltd.,Beijing 100015,China)

机构地区：[1]泸州老窖股份有限公司,四川泸州646000 [2]中国食品发酵工业研究院有限公司,北京100015

出　　处：《中国酿造》2022年第12期230-234,共5页China Brewing

基　　金：国家重点研发计划(2018YFE0196600)。

摘　　要：采用中红外光谱分析技术结合竞争性自适应重加权算法(CARS)对浓香型白酒基酒中的乳酸乙酯和乙酸乙酯的特征波长变量进行筛选后,建立偏最小二乘法(PLS)模型,并对其进行验证。结果表明,采用中红外光谱分析技术剔除明显噪声区域建立的PLS模型效果较好,而经CARS法进行特征波长选择后建立的CARS-PLS模型效果优于PLS模型,乙酸乙酯和乳酸乙酯的CARS-PLS模型相关系数R^(2)分别为0.995、0.989,预测均方根误差(RMSEP)分别为12.80、4.54,相对分析误差(RPD)分别为8.78及8.60,模型经独立验证均取得了较高的预测精度,验证数据相关系数R^(2)分别为0.994及0.992,RMSEP分别为13.55及4.86。该模型有较高的准确度及稳定性,能够用于白酒基酒中的乳酸乙酯和乙酸乙酯的快速分析,可为白酒酿造过程的质量把控提供技术方法。The characteristic wavelength variables of ethyl lactate and ethyl acetate in base liquor of strong-flavor(nongxiangxing) Baijiu were screened by mid-infrared spectroscopy combined with competitive adaptive reweighted sampling(CARS) method, and the partial least squares(PLS) model was established and verified. The results showed that the PLS model established by using mid-infrared spectroscopy to eliminate obvious noise regions had a good effect, while the effect of CARS-PLS model established by the characteristic wavelength selection of CARS method was superior to that of the PLS model. The correlation coefficient R^(2) of ethyl acetate and ethyl lactate of CARS-PLS model were 0.995 and 0.989, respectively, root mean square errors of prediction(RMSEP) were 12.80 and 4.54, respectively, and the relative percent deviation(RPD) was 8.78 and 8.60, respectively. The models were independently validated to achieve high prediction accuracy, the correlation coefficients R^(2) of data validation were 0.994 and 0.992, respectively, and RMSEP were 13.55 and 4.86, respectively. The model had high accuracy and stability, which could be used for rapid analysis of ethyl lactate and ethyl acetate in Baijiu base liquor, and provided a technical method for quality control of Baijiu brewing process.

关 键 词：竞争性自适应重加权变量算法 白酒基酒 中红外光谱分析技术 波长变量选择 定量分析 

分 类 号：TS262.3[轻工技术与工程—发酵工程]