傅里叶变换红外光谱结合化学计量学方法对白酒基酒的快速定性和定量分析

发布时间：2018-05-05 05:27

本文选题：红外光谱 + 白酒基酒　；参考：《光谱学与光谱分析》2017年09期

【摘要】：白酒基酒等级的准确评判对白酒的质量控制至关重要,是白酒分级储存和勾兑的重要依据。目前白酒基酒分级是在生产车间班组工人初步分级基础上,通过专业评酒人员的人工感官审评结合气相色谱法测定主要酯类物质含量最终确定白酒基酒的等级。人工感官审评和气相色谱分析方法繁琐,耗时费力,很难实现实时快速检测。红外光谱技术具有快速分析、无损检测及灵敏度高和重现性好等优点,在食品品质检测领域得到广泛应用。运用傅里叶变换红外光谱(FTIR)和衰减全反射(ATR)技术结合化学计量学方法对不同等级白酒基酒及其主要酯类化合物进行快速定性和定量分析。采用线性判别(LDA)和误差反向传播人工神经网络(BPANN)分析模型对不同等级白酒基酒进行判别,线性判别分析训练集和测试集总体识别率均达到100%,BPANN分析训练集和测试集总体识别率均在95%以上。采用区间偏最小二乘法(siPLS)对四种主要酯类化合物进行定量分析,己酸乙酯、乳酸乙酯、乙酸乙酯和丁酸乙酯含量的训练集模型相关系数分别为0.986 4,0.991 5,0.970 2和0.951 4,测试集模型的相关系数分别为0.982 4,0.961 9,0.905 2和0.808 0。结果表明,傅里叶变换红外光谱技术结合化学计量学方法能有效实现不同等级白酒基酒的准确判别,同时基酒中主要酯类化合物的快速检测定量模型效果良好,能满足白酒生产中的分析检测要求,为白酒基酒等级的快速判别提供一种客观而准确的分析方法,有效提升白酒的智能化生产水平。
[Abstract]:The accurate evaluation of liquor grade is very important to the quality control of liquor and is the important basis for liquor grading storage and blending. At present, the classification of liquor base liquor is based on the preliminary classification of workers in the production workshop. The grade of liquor base liquor is determined by the artificial sensory evaluation of professional wine evaluators combined with the determination of the main ester substance content by gas chromatography. Artificial sensory evaluation and gas chromatographic analysis are tedious, time-consuming and difficult to achieve real-time and fast detection. Infrared spectroscopy is widely used in the field of food quality detection because of its advantages of fast analysis, nondestructive testing, high sensitivity and good reproducibility. Fourier transform infrared spectroscopy (FTIR) and attenuated total reflectance (ATR) technique combined with chemometrics were used to determine the quality and quantitative analysis of liquor of different grades and its main esters. Linear discriminant (LDA) and error back-propagation artificial neural network (BPANN) analysis model were used to distinguish the different grades of liquor base liquor. The total recognition rate of both the training set and the test set of linear discriminant analysis is over 95%. The quantitative analysis of four main esters, ethyl caproate and ethyl lactate, was carried out by interval partial least square method. The correlation coefficients of the training set model for the content of ethyl acetate and ethyl butyrate were 0.986 4 / 0.991 5 / 0.970 2 and 0.951 4, respectively, and the correlation coefficients for the test set model were 0.982 4 / 0.961 9 / 0.9052 and 0.808 0 respectively. The results showed that Fourier transform infrared spectroscopy (FTIR) combined with chemometrics could effectively distinguish the base liquor of different grades, and the quantitative model for the rapid detection of the main ester compounds in the base liquor was effective. It can meet the requirements of analysis and detection in liquor production, and provide an objective and accurate analysis method for rapid discrimination of liquor grade, and effectively improve the level of intelligent production of liquor.
【作者单位】：江苏大学食品与生物工程学院;江苏今世缘酒业股份有限公司;江苏大学农业工程研究院;
【基金】：国家重点研发计划(2016YFD0401104) 江苏省杰出青年基金项目(BK20130010) 江苏省博士后基金项目(1501100C) 江苏大学高级人才基金项目(15JDG087) 江苏高校优势学科建设工程项目镇江市重点研发项目(SH2016021)资助
【分类号】：O657.33;TS262.3

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