首页> 外文期刊>Journal of Analytical Methods in Chemistry >Rapid Discrimination of the Geographical Origins of an Oolong Tea (Anxi-Tieguanyin) by Near-Infrared Spectroscopy and Partial Least Squares Discriminant Analysis
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Rapid Discrimination of the Geographical Origins of an Oolong Tea (Anxi-Tieguanyin) by Near-Infrared Spectroscopy and Partial Least Squares Discriminant Analysis

机译:近红外光谱法和偏最小二乘判别分析法快速鉴别乌龙茶(安溪铁观音)的地理起源

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This paper focuses on a rapid and nondestructive way to discriminate the geographical origin of Anxi-Tieguanyin tea by near-infrared (NIR) spectroscopy and chemometrics. 450 representative samples were collected from Anxi County, the original producing area of Tieguanyin tea, and another 120 Tieguanyin samples with similar appearance were collected from unprotected producing areas in China. All these samples were measured by NIR. The Stahel-Donoho estimates (SDE) outlyingness diagnosis was used to remove the outliers. Partial least squares discriminant analysis (PLSDA) was performed to develop a classification model and predict the authenticity of unknown objects. To improve the sensitivity and specificity of classification, the raw data was preprocessed to reduce unwanted spectral variations by standard normal variate (SNV) transformation, taking second-order derivatives (D2) spectra, and smoothing. As the best model, the sensitivity and specificity reached 0.931 and 1.000 with SNV spectra. Combination of NIR spectrometry and statistical model selection can provide an effective and rapid method to discriminate the geographical producing area of Anxi-Tieguanyin.
机译:本文着眼于一种快速,无损的方法,通过近红外光谱和化学计量学来鉴别安溪铁观音茶的地理起源。从铁观音茶的原始产地安溪县收集了450个代表性样品,并从中国未受保护的产地收集了120个外观相似的铁观音样品。所有这些样品通过NIR测量。 Stahel-Donoho估计值(SDE)异常性诊断用于消除异常值。进行了偏最小二乘判别分析(PLSDA)以建立分类模型并预测未知对象的真实性。为了提高分类的敏感性和特异性,对原始数据进行了预处理,以通过标准正态变量(SNV)变换,采用二阶导数(D2)光谱和平滑来减少不必要的光谱变化。作为最佳模型,SNV光谱的灵敏度和特异性分别达到0.931和1.000。近红外光谱法与统计模型选择相结合可以为区分安溪铁观音的地理产区提供一种有效而快速的方法。

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