分析与检测

近红外光谱技术同时快速定量酱香型白酒基酒醇类物质

  • 王凡 ,
  • 张文娟 ,
  • 李国辉 ,
  • 卢君 ,
  • 冯海燕 ,
  • 李长文 ,
  • 庞文虎 ,
  • 郭凤仪
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  • 1(贵州国台数智酒业集团股份有限公司,贵州 遵义,564501)
    2(贵州国台酒业集团研究院,天津,300410)
    3(贵州国台庄园数智酒业有限公司,贵州 遵义,564501)
第一作者:硕士,高级工程师(李国辉正高级工程师为通信作者,E-mail:liguohui193@163.com)

收稿日期: 2024-10-29

  修回日期: 2025-01-14

  网络出版日期: 2025-08-29

基金资助

贵州省科技计划项目(黔科合成果[2023]一般149);贵州省科技计划项目(黔科合成果[2023]一般150);贵州省工信厅发展专项资金科技创新项目(202209)

Simultaneous and rapid quantification of alcohols in Jiangxiangxing Baijiu base liquor by near-infrared spectroscopy

  • WANG Fan ,
  • ZHANG Wenjuan ,
  • LI Guohui ,
  • LU Jun ,
  • FENG Haiyan ,
  • LI Changwen ,
  • PANG Wenhu ,
  • GUO Fengyi
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  • 1(Guizhou Guotai Digital-Intelligence Liquor Group Co., Ltd., Zunyi 564501, China)
    2(Guizhou Guotai Liquor Group Institute, Tianjin 300410, China)
    3(Guizhou Guotai Manor Digital-Intelligence Liquor Industry Co., Ltd., Zunyi 564501, China)

Received date: 2024-10-29

  Revised date: 2025-01-14

  Online published: 2025-08-29

摘要

为实现酱香型白酒基酒醇类物质的快速检测,该文以气相色谱法为参考方法,利用近红外光谱技术结合偏最小二乘算法建立了酱香型白酒中6种醇类物质的分析模型。通过间隔偏最小二乘法筛选出各物质的特征波段,并在12种单一或组合的方法中筛选出最优处理方式,优化后甲醇、正丙醇、正丁醇、仲丁醇、异丁醇、异戊醇定量模型的R2Cal均达到0.8,分别为0.907 7、0.993 7、0.802 7、0.970 2、0.932 9、0.958 1;外部验证的预测标准偏差较小,分别为0.022 3、0.541 9、0.024 0、0.064 3、0.007 8、0.026 1;标准差/预测标准偏差均大于2,分别为3.15、6.99、2.12、2.75、3.12、4.20。结果表明,近红外光谱技术结合偏最小二乘算法可快速检测甲醇、正丙醇、正丁醇、仲丁醇、异丁醇、异戊醇的含量,方法准确度、稳定性及预测性能良好,为在线近红外在智能酿造中的应用提供了基础。

本文引用格式

王凡 , 张文娟 , 李国辉 , 卢君 , 冯海燕 , 李长文 , 庞文虎 , 郭凤仪 . 近红外光谱技术同时快速定量酱香型白酒基酒醇类物质[J]. 食品与发酵工业, 2025 , 51(16) : 324 -331 . DOI: 10.13995/j.cnki.11-1802/ts.041463

Abstract

To achieve the rapid detection of alcohols in Jiangxiangxing Baijiu base liquor, this study established 6 quantitative models of alcohols by near-infrared spectroscopy(NIRS) combined with partial least squares regression (PLSR), with gas chromatography as the reference method.The characteristic bands of each substance were screened by interval partial least squares, and the optimal pretreatments were selected from 12 methods (alone or in combination).The optimized models of methanol, n-propanol, n-butanol, secbutanol, isobutanol, and isoamyl alcohol were good, which R2Cal (determination coefficient of calibration set) all reach 0.8, with 0.907 7, 0.993 7, 0.802 7, 0.970 2, 0.932 9, and 0.958 1, respectively.External validation was executed, which standard error of prediction (SEP) were 0.022 3, 0.541 9, 0.024 0, 0.064 3, 0.007 8, and 0.026 1, respectively, and the ratio of standard deviation of the validation set to standard error of prediction (RPD) were 3.15, 6.99, 2.12, 2.75, 3.12, and 4.20, respectively.The results showed that the NIRS combined with PLSR method could rapidly determine the content of methanol, n-propanol, n-butanol, secbutanol, isobutanol, and isoamyl alcohol with good accuracy, robustness, and predictive performance, which provides a basis for the application of online NIR in intelligent brewing.

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