光谱学与光谱分析 |
|
|
|
|
|
The Near Infrared Spectral Bands Optimal Selection in the Application of Liquor Fermented Grains Composition Analysis |
XIONG Ya-ting, LI Zong-peng, WANG Jian*, ZHANG Ying, WANG Shu-jun, YIN Jian-jun, SONG Quan-hou |
China National Research Institute of Food and Fermentation Industries,Beijing 100015, China |
|
|
Abstract In order to improve the technical level of the rapid detection of liquor fermented grains, in this paper, use near infrared spectroscopy technology to quantitative analysis moisture, starch, acidity and alcohol of liquor fermented grains. Using CARS, iPLS and no information variable elimination method (UVE), realize the characteristics of spectral band selection. And use the multiple scattering correction (MSC), derivative and standard normal variable transformation (SNV) pretreatment method to optimize the models. Establish models of quantitative analysis of fermented grains by PLS, and in order to select the best modeling method, using R2, RMSEP and optimal number of main factors to evaluate models. The results showed that the band selection is vital to optimize the model and CARS is the best optimization of the most significant effect. The calculation results showed that R2 of moisture,starch,acidity and alcohol were 0.885, 0.915, 0.951, 0.885 respectively and RMSEP of moisture,starch,acidity and alcohol were 0.630, 0.519, 0.228, 0.234 respectively. After optimization, the model prediction effect is good, the models can satisfy the requirement of the rapid detection of liquor fermented grains, which has certain reference value in the practical.
|
Received: 2014-09-01
Accepted: 2014-12-15
|
|
Corresponding Authors:
WANG Jian
E-mail: onlykissjohn@hotmail.com
|
|
[1] HAO Jian-guo, REN Jing-jing (郝建国, 任晶婧). Liquor-Making Science & Technology(酿酒科技), 2011, 5: 106. [2] LI Zong-peng, WANG Jian, ZHANG Xiao-lei, et al(李宗朋, 王 健, 张晓磊, 等). China Oils and Fats(中国油脂), 2014, 39(2): 57. [3] ZHAO Dong, LI Yang-hua, LAN Shi-rong, et al(赵 东, 李杨华, 兰世荣, 等). Liquor-Making Science & Technology (酿酒科技), 2004, 1: 72. [4] ZHAO Dong, LI Yang-hua, ZHOU Xue-qiu, et al(赵 东, 李杨华, 周学秋, 等). Chinese Journal of Spectroscopy Laboratory(光谱实验室), 2003, 20(4): 614. [5] CHU Xiao-li(褚小立). Molecular Spectroscopy Analytical Technology Combined with Chemometrics and its Applications (化学计量学方法与分子光谱分析技术). Beijing: Chemical Industry Press(北京:化学工业出版社), 2011. 4. [6] Li Hongdong, Liang Yizeng, Xu Qingsong. Analytica Chimica Acta, 2009, 648: 77. [7] LIU Yan-yun, HU Chang-qin(柳艳云,胡昌勤). Chinese Journal of Pharmaceutical Analysis(药物分析杂志), 2010, 30(5): 968. [8] LI Qian-qian, TIAN Kuang-da, LI Zu-hong, et al(李倩倩, 田旷达, 李祖红, 等). Analytical Chemistry(分析化学研究报告), 2013, 41(6): 917. [9] HUANG Fu-rong, LI Shi-ping, YU Jian-hui, et al(黄富荣, 李仕萍, 余健辉, 等).Chinese Journal of Spectroscopy Laboratory(光谱实验室), 2011, 28(6): 2774. [10] ZHANG Hua-xiu, LI Xiao-ning, FAN Wei, et al(张华秀, 李晓宁, 范 伟, 等). Journal of Instrumental Analysis(分析测试学报), 2010, 29(5): 430. [11] LI Shui-fang, SHAN Yang, FAN Wei, et al. (李水芳, 单 杨, 范 伟, 等). Food Science(食品科学), 2011, 32(8): 182. [12] Lü Qiang, HE Shao-lan, LIU Bin, et al(吕 强, 何绍兰, 刘 斌, 等). Transactions of the Chinese Society for Agricultural Machinery(农业机械学报), 2012, 10(43): 211. [13] WEN Zhen-cai, SUN Tong, GENG Xiang, et al(温珍才, 孙 通, 耿 响, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2013, 33(9): 2354. [14] Chen Huazhou, Tao Pan, Chen Jiemei, et al. Chemometrics and Intelligent Laboratory Systems, 2011, 107: 139. [15] He Kaixun, Cheng Hui, Du Wenli, et al. Chemometrics and Intelligent Laboratory Systems, 2014, 134: 79. [16] TANG Li(唐 利). Liquor-Making Science & Technology(酿酒科技), 2012, (4): 65. |
[1] |
ZHU Ya-ming1, 2, ZHAO Xue-fei1, 2*, GAO Li-juan1, CHENG Jun-xia1. Quantitative Analysis of Structure Changes on Refined Coal Tar Pitch with Curve-Fitted of FTIR Spectrum in Thermal Conversion Process[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(07): 2076-2080. |
[2] |
KE Ke1, 2, Lü Yong1, 2, YI Can-can1, 2, 3*. Improvement of Convex Optimization Baseline Correction in Laser-Induced Breakdown Spectral Quantitative Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(07): 2256-2261. |
[3] |
OUYANG Ai-guo, ZHANG Yu, TANG Tian-yi, LIU Yan-de. Study on Density, Viscosity and Ethanol Content of Ethanol Diesel Based on Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(06): 1772-1778. |
[4] |
LIU Ling1, YANG Ming-xing1, 2*, LU Ren1, Andy Shen1, HE Chong2. Study on EDXRF Method of Turquoise Composition[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(06): 1910-1916. |
[5] |
ZHENG Pei-chao, TANG Peng-fei, WANG Jin-mei*, LI Shi-yu. Analysis of Metal Elements Manganese Using Solution Cathode Glow Discharge-Atomic Emission Spectrometry with Portable Spectrographs[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(05): 1567-1571. |
[6] |
ZHANG Xiao-he1, 2, MA Chao-qun1, 2*, CHEN Guo-qing1, 2, LIU Huai-bo1, 2, ZHU Chun1, 2, SONG Xin-shu1, 2, ZHU Cong-hai1, 2. The Fluorescnece Lifetime and Quantum Chemistry Calculation of Ethyl Caproate and Ethyl Acetate[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(02): 502-505. |
[7] |
WENG Shi-zhuang1, YUAN Bao-hong2, ZHENG Shou-guo3, ZHANG Dong-yan1, ZHAO Jin-ling1, HUANG Lin-sheng1*. Dynamic Surface-Enhanced Raman Spectroscopy for Rapid and Quantitative Analysis of Edifenphos[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(02): 454-458. |
[8] |
LIU Yan-de, ZHANG Yu-xiang, WANG Hai-yang. Quantitative Detection of Mixing Pesticide Residues on Navel Orange Based on Surface-Enhanced Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(01): 123-127. |
[9] |
YANG Wen-bin1,2, LI Bin-cheng1,3*. Quantitative Analysis of Trace O Concentration in SF6 with Laser-Induced Breakdown Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(12): 3865-3870. |
[10] |
XIANG Li-rong, MA Zhi-hong, ZHAO Xin-yu, LIU Fei, HE Yong, FENG Lei*. Comparative Analysis of Chemometrics Method on Heavy Metal Detection in Soil with Laser-Induced Breakdown Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(12): 3871-3876. |
[11] |
HUA Jin1, ZHAO You-you1, GAO Yuan-hui1, ZHANG Li-hua1, HAO Jia-xue2, SONG Huan1, ZHAO Wen-ying2*. Rapid Detection of Fat Content in Meat with Near Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(11): 3424-3429. |
[12] |
YANG Yu, ZHAI Chen, PENG Yan-kun, TANG Xiu-ying, WANG Fan, LI Yong-yu*. Method of Rapid and Quantitative Detection of Potassium Sorbate in Beverage Based on Surface-Enhanced Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(11): 3460-3464. |
[13] |
LI Xiao-li, XU Kai-wen, HE Yong*. Determination of Carotenoids Contents in Tea Leaves Based on Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(11): 3465-3470. |
[14] |
ZHANG Fang-kun, LIU Tao*, GUAN Run-duo. In-situ ATR-FTIR Measurement of Solution Concentration Based on Temperature-Related Spectra Difference Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(10): 3011-3015. |
[15] |
HE Chun-rong1, YANG Yu-hong2, LI Jun-hui1, LAO Cai-lian1*. The Study of Near Infrared Spectroscopy Measurement Method for Total Alkaloids of Flue-Cured Complete Tobacco Leaves[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(10): 3088-3093. |
|
|
|
|