白酒基酒中己酸、乙酸的近红外快速检测

doi:10.7506/spkx1002-6630-201604032

食品科学

白酒基酒中己酸、乙酸的近红外快速检测

刘建学，张卫卫，韩四海，李璇，李佩艳，杨国迪，杨莹，徐宝成，罗登林

河南科技大学食品与生物工程学院，河南省食品原料工程技术研究中心，河南洛阳 471023

出版日期:2016-02-25 发布日期:2016-02-23
基金资助:
国家自然科学基金面上项目（31471658）

Rapid Detection of Caproic Acid and Acetic Acid in Liquor Base Based on Fourier Transform Near-Infrared Spectroscopy

LIU Jianxue, ZHANG Weiwei, HAN Sihai, LI Xuan, LI Peiyan, YANG Guodi, YANG Ying, XU Baocheng, LUO Denglin

Henan Engineering Research Center of Food Material, College of Food and Bioengineering,
Henan University of Science and Technology, Luoyang 471023, China

Online:2016-02-25 Published:2016-02-23

摘要/Abstract

摘要：

建立白酒基酒中的己酸、乙酸的快速检测方法，通过分析白酒基酒样品的近红外光谱图，对光谱数据进行不同处理。结果表明：白酒基酒中己酸、乙酸对近红外有特异吸收，最佳预处理方法与最优波段分别为：一阶导数＋减去一条直线、一阶导数＋矢量归一化预处理光谱；谱区选择6 101.7～5 446 cm－1和11 998.9～7 501.7 cm－1，6 101.7～5 449.8 cm－1和11 998.9～7 497.9 cm－1。利用偏最小二乘法与傅里叶变换近红外光谱相结合，采用内部交叉验证法建立模型，通过对模型进行优化，己酸、乙酸校正集样品的化学值与近红外的预测值的决定系数分别为99.73%、97.00%；内部交叉验证均方根差分别为0.90、0.63 mg/100 mL；进一步对己酸、乙酸模型进行验证和评价，己酸和乙酸模型验证集的决定系数分别为99.47%、95.63%，预测标准偏差分别为1.00、1.73 mg/100 mL。结果表明建立的模型效果很好，具有较高的精密度和良好的稳定性，能满足白酒生产中己酸和乙酸的快速检测要求。

关键词: 傅里叶变换近红外光谱, 白酒基酒, 己酸, 乙酸, 偏最小二乘法

Abstract:

Caproic acid and acetic acid, two important organic acids in liquor, have obvious effects on the quality of liquor.
In order to accurately and quickly measure the contents of caproic acid and acetic acid in liquor base, calibration models
were established based on Fourier-transform near-infrared spectroscopy with artificial neural network by cross-validation
after the original spectra were analyzed and interpreted. The results showed that the caproic and acetic acid in liquor
base exhibited strong near infrared absorption and that the best spectral pretreatment methods for the two acids were first
derivative combined with deduction of a straight line and standard normal variate (SNV) transformation, respectively. Based
on the selected spectral ranges of 6 101.7–5 446 cm-1, 11 998.9–7 501.7 cm-1, 6 101.7–5 449.8 cm-1, and 11 998.9–7 497.9 cm-1,
a calibration model was established using partial least square regression and the internal cross-validation method. After
optimization of the model, the correlation coefficients (R2) between the chemical values of caproic acid and acetic acid in
calibration samples and near infrared prediction were 99.73% and 97.00%, internal cross-validation root mean square deviation
were 0.90 and 0.63 mg/100 mL, and prediction standard deviation were 1.00 and 1.73 mg/100 mL, respectively. The method
has been applied with satisfactory results to quick determination of caproic acid and acetic acid in the distilled spirit industry.

Key words: Fourier transform near infrared spectroscopy, liquor base, caproic acid, acetic acid, partial least squares

中图分类号:

TS262.3

刘建学，张卫卫，韩四海，李璇，李佩艳，杨国迪，杨莹，徐宝成，罗登林. 白酒基酒中己酸、乙酸的近红外快速检测[J]. 食品科学, doi: 10.7506/spkx1002-6630-201604032.

LIU Jianxue, ZHANG Weiwei, HAN Sihai, LI Xuan, LI Peiyan, YANG Guodi, YANG Ying, XU Baocheng, LUO Denglin. Rapid Detection of Caproic Acid and Acetic Acid in Liquor Base Based on Fourier Transform Near-Infrared Spectroscopy[J]. FOOD SCIENCE, doi: 10.7506/spkx1002-6630-201604032.

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白酒基酒中己酸、乙酸的近红外快速检测

Rapid Detection of Caproic Acid and Acetic Acid in Liquor Base Based on Fourier Transform Near-Infrared Spectroscopy

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