速溶普洱茶中水分、咖啡碱和茶多酚含量近红外光谱快速测定方法的建立
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摘要
以随机抽取的42个市售速溶茶产品为研究对象,采用近红外光谱分析技术并结合偏最小二乘法(PLS)对其水分、咖啡碱和茶多酚含量进行定标建模分析。建模结果以校正集相关系数(R_c)、校正集均方根误差(RMSEC)、交互验证相关系数(R_(cv))和交互验证均方根误差(RMSECV)为指标评价模型的优劣。结果表明,水分较为理想的定标模型R_c=0.9266,RMSEC=0.6439,R_(cv)=0.8809,RMSECV=0.8509;咖啡碱的最优定标模型R_c=0.9964,RMSEC=0.1337,R_(cv)=0.9543,RMSECV=0.4958;茶多酚较为理想的定标模型R_c=0.9845,RMSEC=1.2097,R_(cv)=0.9679,RMSECV=1.8083。经验证集样品检验,水分、咖啡碱、茶多酚的预测相关系数分别是0.9050、0.9350、0.9557,与实际测定值吻合度较高,可为速溶普洱茶制品理化成分的快速检测提供参考。
The calibration analysis of moisture,caffeine and tea-polyphenols were studied by combined near infrared spectroscopy and partial least squares(PLS),based on in random selection of 42 instant teas.The evaluation index of prediction model included correlation coefficient of calibration(R_c),the root mean square error of prediction(RMSEC),cross-validation correlation coefficient of calibration(R_(cv)),and the root mean square error of cross-validation error(RMSECV).The results showed that the ideal calibration model of R_c,RMSEC,R_(cv),and RMSECV for moisture were 0.9266,0.6439,0.8809,0.8509.The optimal effect of calibation model for caffeine were 0.9964,0.1337,0.9543,0.4958.The ideal modeling of the R_c,RMSEC,R_(cv),and RMSECV for tea-poly phenols were 0.9845,1.2097,0.9679,1.8083.The prediction correlation coefficient of moisture,caffeine and tea polyphenols was 0.9050,0.9350 and 0.9557 respectively after the validation set sample test,which has a high agreement with the actual measured value and can be used as a reference for the rapid detection of the physicochemical components of the instant Pu'er tea products.
The calibration analysis of moisture,caffeine and tea-polyphenols were studied by combined near infrared spectroscopy and partial least squares(PLS),based on in random selection of 42 instant teas.The evaluation index of prediction model included correlation coefficient of calibration(R_c),the root mean square error of prediction(RMSEC),cross-validation correlation coefficient of calibration(R_(cv)),and the root mean square error of cross-validation error(RMSECV).The results showed that the ideal calibration model of R_c,RMSEC,R_(cv),and RMSECV for moisture were 0.9266,0.6439,0.8809,0.8509.The optimal effect of calibation model for caffeine were 0.9964,0.1337,0.9543,0.4958.The ideal modeling of the R_c,RMSEC,R_(cv),and RMSECV for tea-poly phenols were 0.9845,1.2097,0.9679,1.8083.The prediction correlation coefficient of moisture,caffeine and tea polyphenols was 0.9050,0.9350 and 0.9557 respectively after the validation set sample test,which has a high agreement with the actual measured value and can be used as a reference for the rapid detection of the physicochemical components of the instant Pu'er tea products.
引文
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[2]岳翠男,王治会,毛世红,等.茶叶主要滋味物质研究进展[J].食品研究与开发,2017,38(1):219-224.
[3]王继坤,陈桥,郑桂清.茶叶化学成分分析方法综述[J].长江大学学报自然科学版:理工卷,2012,9(4):17-18.
[4]苏东林,张欣,李高阳,等.近红外光谱结合化学计量学方法测定蜂蜜的主要糖分[J].中国食品学报,2013,13(10):213-221.
[5]张军,姜黎,陈哲,等.基于近红外光谱技术成品汽油分类方法的研究[J].光谱学与光谱分析,2010,30(10):2654-2657.
[6]张娟娟,王远.近红外光谱测定麦冬中的总皂苷和总黄酮[J].光谱实验室,2012,29(1):551-556.
[7]王家林,张颖,于秦峰.利用近红外光谱分析方法建立妙府老酒酒精度和总酸模型[J].中国酿造,2011,30(11):168-170.
[8]杨丹,刘新,王川丕,等.近红外光谱技术在茶叶及茶制品上应用[J].浙江农业科学,2012,1(9):1290-1294.
[9]赵红波,谭红,徐玮,等.近红外光谱法对茶叶中的咖啡碱含量的快速测定[J].中国酿造,2011,30(8):169-171.
[10]Ren G,Wang S,Ning J,et al.Quantitative analysis and geographical traceability of black tea using Fourier transform near-infrared spectroscopy(FT-NIRS)[J].Food Research International,2013,53(2):822-826.
[11]Sinija V R,Mishra H N.FT-NIR spectroscopy for caffeine estimation in instant green tea powder and granules[J].Food science and technology,2009,42(5):998-1002.
[12]Chen Q,Zhao J,Liu M,et al.Determination of total polyphenols content in green tea using FT-NIR spectroscopy and different PLS algorithms[J].Journal of Pharmaceutical&Biomedical Analysis,2008,46(3):568-73.
[13]Chen Q,Zhao J,Zhang H,et al.Feasibility study on qualitative and quantitative analysis in tea by near infrared spectroscopy with multivariate calibration[J].Analytica Chimica Acta,2006,572(1):77.
[14]国家质量监督检验检疫总局,中国国家标准化管理委员会.GB 5009.3-2016食品安全国家标准食品中水分的测定[S].北京:中国标准出版社,2017:1-6.
[15]国家质量监督检验检疫总局,中国国家标准化管理委员会.GB/T 8313-2008茶叶中茶多酚和儿茶素类含量的检测方法[S].北京:中国标准出版社,2008:1-5.
[16]国家质量监督检验检疫总局,中国国家标准化管理委员会.GB/T 21727-2008固态速溶茶儿茶素类含量的检测方法[S].北京:中国标准出版社,2008:1-5.
[17]高荣强,范世福,严衍禄,等.近红外光谱的数据预处理研究[J].光谱学与光谱分析,2003,24(4):1563-1565.
[18]徐立恒,吕进,林敏,等.茶叶中3类主要组分的近红外光谱分析作为茶叶质量的快速评定方法[J].理化检验-化学分册,2006,42(5):334-336.