茶叶中低含量氨基酸近红外光谱定量分析模型研究
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国家自然科学基金资助项目(21265006、31171697)


Quantitative Determination of Low Amino Acid Contents in Tea by Using Near-infrared Spectroscopy
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    摘要:

    应用近红外光谱分析方法对茶叶中游离氨基酸进行定量分析。连续小波导数(CWD)和标准正态变量变换(SNV)用于光谱预处理;偏最小二乘回归(PLSR)方法用于校正模型构建;采用蒙特卡洛无信息变量消除(MCUVE)方法和连续投影算法(SPA)对建模变量进行优化。结果表明,CWD-SNV方法可以有效地提高茶叶光谱质量,消除光谱的平移误差;基于MCUVE-SPA的变量筛选方法极大地改善了模型的精度,实现了建模变量的有效压缩,模型的预测相关系数(Rp)和预测均方根误差(RMSEP)分别由0.851和0.117改善为0.895和0.107,建模变量由4148减小为18;当氨基酸百分含量大于0.1%时,近红外光谱结合化学计量学方法可以得到较优的定量分析模型。为茶叶中低含量氨基酸的分析提供了一种快速简便的分析方法。

    Abstract:

    Near-infrared spectroscopy (NIRS) was used for quantitative determination of free amino acid contents in tea samples. Two spectral preprocessing methods including continuous wavelet derivative (CWD) and standard normal variate (SNV) were used for spectral transform. Partial least squares regression (PLSR) was used for modeling. Monte Carlo uninformation variable elimination (MCUVE) and successive projections algorithm (SPA) were used for optimizing the modeling variables. It was shown that CWD-SNV method could effectively improve spectral quality, and eliminate translation error. MCUVE-SPA method could greatly improve the precision of model, and compress the modeling variables. The correlation coefficient of prediction ( Rp ) and root mean square error of prediction (RMSEP) of analytical models were optimized from 0.851 and 0.117 to 0.895 and 0.107,and modeling variables were reduced from 4148 to 18. NIRS combined with chemometrics could get a better analytical model when amino acid contents exceeded 0.1%. It can provide a fast and simple analytical procedure for the determination of low contents amino acid.

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郝勇,陈斌.茶叶中低含量氨基酸近红外光谱定量分析模型研究[J].农业机械学报,2014,45(6):216-220.

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  • 收稿日期:2014-02-15
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  • 在线发布日期: 2014-06-10
  • 出版日期: 2014-06-10