Abstract：White vinegar is a condiment indispensable in our life, but our understanding of the white vinegar and evaluation of its quality and function has been gained through routine chemical and physical analysis. It is called for to develop more time- and cost-efficient methodologies for white vinegar detection. Visible and near infrared spectroscopy (Vis/NIR) is a nondestructive, fast and accurate technique for the measurement of chemical components based on overtone and combination bands of specific functional groups. Vis/NIR transmittance spectroscopy and chemometrics methods were utilized in classification and pH mensuration of white vinegar in the present study. First, the spectral curves of white vinegar were obtained by handheld Vis/NIR spectroradiometer, then principal component analysis (PCA) was used to process the spectral data after pretreatment. Five principal components (PCs) were selected based on accumulative reliabilities (AR), and these selected PCs would be taken as the inputs of the three-layer back-propagation artificial neural network (BP-ANN). A total of 240 white vinegar samples were divided into calibration set and validation set randomly, the calibration set had 180 samples with 60 samples of each variety, and the validation set had 60 samples with 20 samples of each variety. The BP-ANN was trained using samples in calibration set, the optimal three-layer BP-ANN model with 5 nodes in input layer, 6 nodes in hidden layer, and 2 nodes in output layer would be obtained, and the transfer function of sigmoid was used in each layer. Then, this model was used to predict the samples in the validation set. The result indicated that a 100% recognition ration was achieved with the threshold predictive error ±0.1, the bias between predictive value and standard value was lower than 5%. It could be concluded that PCA combined with BP-ANN was an available method for varieties recognition and pH mensuration of white vinegar based on Vis/NIR transmittance spectroscopy.
王莉,刘飞,何勇*. 应用可见-近红外光谱技术进行白醋品牌和pH值的快速检测[J]. 光谱学与光谱分析, 2008, 28(04): 813-816.
WANG Li,LIU Fei,HE Yong*. Fast Detection of White Vinegar Varieties and pH by Vis/NIR Spectroscopy. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2008, 28(04): 813-816.
[1] SHEN Zhi-yuan(沈志远). Food Science(食品科学), 2005, 26(8): 483. [2] CHU Xiao-li, YUAN Hong-fu, LU Wan-zhen(褚小立, 袁洪福, 陆婉珍). Analytical Instrumentation(分析仪器), 2006, (2): 1. [3] WANG Duo-jia, ZHOU Xiang-yang, JIN Tong-ming, et al(王多加, 周向阳, 金同铭, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2004, 24(4): 447. [4] CHEN Hai-yan, HE Yong. Trends in Food Science & Technology, 2007, 18(2): 72. [5] SHI Su-jia(史苏佳). Food Research and Development(食品研究与开发), 2007, 28(3): 177. [6] YAN Yan-lu, ZHAO Long-lian, HAN Dong-hai, et al(严衍禄, 赵龙莲, 韩东海, 等). The Foundation and Application of the Near Infrared Spectroscopy Analysis(近红外光谱分析基础与应用). Beijing: China Light Industry Press(北京：中国轻工业出版社)，2005. [7] CHEN Quan-sheng, ZHAO Jie-wen, ZHANG Hai-dong, et al(陈全胜, 赵杰文, 张海东, 等). Acta Optica Sinica(光学学报), 2006, 26(6): 933. [8] HE Yong, LI Xiao-li(何 勇, 李晓丽). Journal of Infrared and Millimeter Waves(红外与毫米学报), 2006, 25(3): 192. [9] Liu L, Cozzolino D, Cynkar W U, et al. Journal of Agricultural and Food Chemistry, 2006, 54(18): 6754. [10] LIU Shu-hua, ZHANG Xue-gong, ZHOU Qun, et al(刘沭华, 张学工, 周 群, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2006, 26(4): 629. [11] CHEN Bin, HUANG Chuan-xu, LI Guo-quan, et al(陈 斌, 黄传旭, 李国权, 等). Transactions of the Chinese Society of Agricultural Machinery(农业机械学报), 2005, 36(5): 65. [12] CHEN Da, WANG Fang, SHAO Xue-guang, et al(陈 达, 王 芳, 邵学广, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2004, 24(6): 672. [13] Urbano-Cuadrado M, Luque de Castro M D, Perez-Juan P M, et al. Analytica Chimica Acta, 2004, 527(1): 81. [14] CHEN Bin, WANG Hao, LIN Song, et al(陈 斌, 王 毫, 林 松, 等). Transactions of the Chinese Society of Agriculture Engineering(CASE)(农业工程学报), 2005, 21(7): 99. [15] WANG Zhen-zuo, LU Jia-hui, GUO Wei-liang, et al(王贞佐, 逯家辉, 郭伟良, 等). Science and Technology of Food Industry(食品工业科技), 2005, 26(11): 163. [16] BAO Yi-dan, WU Yan-ping, HE Yong(鲍一丹, 吴燕萍, 何 勇). Journal of Agricultural Mechanization Research(农机化研究), 2004, (3): 162. [17] HE Yong, LI Xiao-li, SHAO Yong-ni(何 勇, 李晓丽, 邵咏妮). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2006, 26(5): 850. [18] HUANG Min, HE Yong, HUANG Ling-xia, et al(黄 敏, 何 勇, 黄凌霞, 等). Journal of Infrared and Millimeter Waves (红外与毫米波学报), 2006 , 25(5) : 342. [19] ZHAO Mei-fang, LUO A-li, WU Fu-chao, et al(赵梅芳, 罗阿理, 吴福朝, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2006, 26(2): 377. [20] HE Yong, FENG Shui-juan, LI Xiao-li, et al(何 勇, 冯水娟, 李晓丽, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2006, 26(11): 2021. [21] CHU Xiao-li, YUAN Hong-fu, LU Wan-zhen(褚小立, 袁洪福, 陆婉珍). Progress in Chemistry(化学进展), 2004, 16(4): 528.
