基于聚类分析的局部建模方法在茶叶近红外光谱分析中的应用
Application of Local Modelling Based on Cluster Analysis to NIRS Analysis of Tea
摘 要
为提高茶叶中咖啡碱、氨基酸近红外光谱分析模型的预测精度,采用基于聚类分析的局部建模方法.先提取茶叶样品光谱数据的特征因子,使用聚类分析对样品进行硬划分,经样品间距离和类间距离判别,确定单个模型定标样品个数.完成特征谱带的分析并进行波段选择后,随机抽取15个样品,偏最小二乘法局部建模结果显示:咖啡碱、氨基酸的预测平均相对偏差分别由聚类前的5.80%和6.14%下降为聚类后的2.75%和2.44%,模型预测精度显著提高.
茶叶
聚类分析
局部样本
偏最小二乘
NIRS
Tea
Cluster analysis
Local sample
Partial least squares (PLS)
Abstract
The local modelling based on cluster analysis was applied to NIRS analysis of tea to promote the predictive testing precision in determination of its caffeine and amino acid contents.The characteristic factors of spectral data of tea sample were collected,and crisp partition of the samples was done by cluster analysis.Through differentiation of the sample distances and inter-class distances,number of target sample with single model was determined.After completion of analyzing the characteristic spectral bands and of selection of wave sections,15 samples were taken at random for cluster analysis.Results of local modelling by PLS were obtained as follows: the values of average relative deviation of predictive testing of caffeine and amino acids were decreased from 5.80% and 6.14% (before cluster analysis) to 2.75% and 2.44% (after cluster analysis) respectively,showing a remarkable improving of the precision of modelling predictive testing.
中图分类号 O657.3
所属栏目 工作简报
基金项目 浙江省科技厅重点科研项目(2006C21044,2009F70016);浙江省重中之重学科开放基金(2006KF03)资助
收稿日期 2008/12/26
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备注张建庭(1983-),男,河南信阳人,硕士研究生,主要研究方向为近红外光谱分析技术及算法.
引用该论文: ZHANG Jian-ting,Lv Jin,LIU Hui-jun,LIN Min,YU Liang-zi. Application of Local Modelling Based on Cluster Analysis to NIRS Analysis of Tea[J]. Physical Testing and Chemical Analysis part B:Chemical Analysis, 2010, 46(2): 125～129
张建庭,吕进,刘辉军,林敏,于良子. 基于聚类分析的局部建模方法在茶叶近红外光谱分析中的应用[J]. 理化检验－化学分册, 2010, 46(2): 125～129
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参考文献
【1】Shou Heyan.Evaluation of the composition and sensory properties of tea using near infrared spectroscopy and principal component analysis[J].Journal Of Near Infrared Spectroscopy,2005,6(13):313-325．
【2】Tatsuhiko Ikeda,Shigehiko Kanaya,Tsutomu Yonetani,et al.Prediction of japanese green tea ranking by fourier transform near-infrared reflectance spectroscopy[J].J Agric Food Chem,2007,55(24):9908-9912．
【3】LI Xiao-li,HE Yong,WU Chang-qing,et al.Nondestructive measurement and fingerprint analysis of soluble solid content of tea soft drink based on vis/NIR spectroscopy[J].Journal of Food Engineering,2007,82:316-323．
【4】WANG Z,ISAKASSON T,KOWALSKI B R.New approach for distance measurement in locally weighted regression[J].Anal Chem,1994,66:249-260．
【5】FANANY M I,KUMAZAWA I.Multiple-view shape extraction from shading as local regression by analytic NN scheme[J].Mathematical and Computer Modelling,2004,40(9/10):959-975．
【6】NAVEA S,TAULER R,de Juan A.Application of the local regression method interval partial least-squares to the elucidation of protein secondary structure[J].Analytical Biochemistry,2005,336(2):231-242．
【7】褚小立,许育鹏,陆婉珍.用于近红外光谱分析的化学计量学方法研究与应用进展[J].分析化学,2008,36(5):702-709．
【8】Yuki Fukumoto,Sadaaki Iibuchi,Mayumi Saito,et al.Measurement of tea leaves ingredients with visible and near infrared reflection spectra[J].Jpn J Food Eng,2006,1(7):39-44．
【9】严衍禄.近红外光谱分析基础与应用[M].北京:中国轻工业出版社,2005:12．
【10】李军会,秦西云,张文娟,等.局部偏最小二乘回归建模参数对近红外检测结果影响的研究[J].光谱学与光谱分析,2007,2(27):262-264．
【11】OSBORNE B G,FEARN T.Near infrared spectroscopy in food analysis[M].New York: Longman Scientific & Technical,1988:23．
【2】Tatsuhiko Ikeda,Shigehiko Kanaya,Tsutomu Yonetani,et al.Prediction of japanese green tea ranking by fourier transform near-infrared reflectance spectroscopy[J].J Agric Food Chem,2007,55(24):9908-9912．
【3】LI Xiao-li,HE Yong,WU Chang-qing,et al.Nondestructive measurement and fingerprint analysis of soluble solid content of tea soft drink based on vis/NIR spectroscopy[J].Journal of Food Engineering,2007,82:316-323．
【4】WANG Z,ISAKASSON T,KOWALSKI B R.New approach for distance measurement in locally weighted regression[J].Anal Chem,1994,66:249-260．
【5】FANANY M I,KUMAZAWA I.Multiple-view shape extraction from shading as local regression by analytic NN scheme[J].Mathematical and Computer Modelling,2004,40(9/10):959-975．
【6】NAVEA S,TAULER R,de Juan A.Application of the local regression method interval partial least-squares to the elucidation of protein secondary structure[J].Analytical Biochemistry,2005,336(2):231-242．
【7】褚小立,许育鹏,陆婉珍.用于近红外光谱分析的化学计量学方法研究与应用进展[J].分析化学,2008,36(5):702-709．
【8】Yuki Fukumoto,Sadaaki Iibuchi,Mayumi Saito,et al.Measurement of tea leaves ingredients with visible and near infrared reflection spectra[J].Jpn J Food Eng,2006,1(7):39-44．
【9】严衍禄.近红外光谱分析基础与应用[M].北京:中国轻工业出版社,2005:12．
【10】李军会,秦西云,张文娟,等.局部偏最小二乘回归建模参数对近红外检测结果影响的研究[J].光谱学与光谱分析,2007,2(27):262-264．
【11】OSBORNE B G,FEARN T.Near infrared spectroscopy in food analysis[M].New York: Longman Scientific & Technical,1988:23．
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