成品白酒中酸酯总量的近红外检测  

Detection of Acid Ester Content in Baijiu(Chinese Liquor) Based on Near Infrared Spectroscopy

作　　者：黄清霞 付国勇 陈黎萍[1] HUANG Qingxia;FU Guoyong;CHEN Liping(Sichuan Swellfun Co.,Ltd.,Chengdu 610000,China)

机构地区：[1]四川水井坊股份有限公司,四川成都610000

出　　处：《食品工业科技》2022年第5期310-314,共5页Science and Technology of Food Industry

摘　　要：为了建立成品白酒中酸酯总量的近红外模型,以达到快速检测酸酯总量的目的,本文采用回流及酸碱滴定法测定成品白酒中酸酯总量的化学值,与成品白酒在1 mm及8 mm光程比色池的近红外光谱图相结合,采用内部交叉检验法及外部独立验证建立了成品白酒中酸酯总量的近红外模型。结果表明:成品白酒中的酸类和酯类物质在近红外区有特异性吸收,1 mm光程比色池的最佳处理方法与最优波段分别为:一阶导数、谱区选择9400~5448 cm-1;8 mm光程比色池的最佳处理方法与最优波段分别为:一阶导数、谱区选择9400~7500 cm-1和6100~5448 cm-1。1、8 mm光程比色池的酸酯总量的近红外模型预测值与化学真值拟合的决定系数(R2)分别为99.18%、96.62%,内部交叉检验均方差根(RMSECV)分别为0.989、1.980 mmol/L。1 mm光程比色池的外部独立验证模型预测值与化学真值拟合的决定系数(R2)为99.45%,外部检验标准偏差(RMSEP)为0.819 mmol/L。结果表明,用1 mm光程比色池所建立的近红外模型具有很好的预测能力,能够满足成品白酒中酸酯总量的快速检测要求。To construct the near infrared spectrum model of acid ester content in Baijiu(Chinese Liquor) and detect rapidly the acid ester content in Baijiu.The chemical value of acid ester content in Baijiu was determined by reflux and acid-base titration,which was combined with the near-infrared spectra of 1 mm and 8 mm optical path colorimetric cell of Baijiu,and the near-infrared spectrum model of acid ester content in Baijiu was established by internal cross test and external independent verification test.The results showed that acid ester content in Baijiu had special absorption to near infrared spectroscopy(NIR).The processing method and the best band of 1 mm optical path colorimetric cell were first derivative and 9400~5448 cm^(-1),and the processing method and the best band of 8 mm optical path cell were first derivative and 9400~7500 cm^(-1) and 6100~5448 cm^(-1).The coefficient of determination(R^(2)) between the NIR predicted values and the chemical true values of acid ester content in 1 mm and 8 mm optical path colorimetric cells were 99.18% and 96.62%,and the correction standard deviation(RMSECV) were 0.989 mmol/L and 1.980 mmol/L.The coefficient of determination(R2)of external independent verification model between the predicted values and the chemical true values was 99.45%,and the prediction standard deviation(RMSEP) was 0.819 mmol/L.The results showed that the NIR model built by 1 mm optical path colorimeter cell had good prediction ability and could meet the requirements of rapid detection of acid ester content in Baijiu.

关 键 词：成品白酒 酸酯总量 傅立叶变换近红外光谱 交叉检验法 

分 类 号：TS207.3[轻工技术与工程—食品科学]