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Detection of Organic Acids and pH of Fruit Vinegars Using Near-Infrared Spectroscopy and Multivariate Calibration

机译:近红外光谱和多元校正检测果醋中有机酸和pH

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摘要

Near-infrared (NIR) spectroscopy was investigated to determine the acetic, tartaric, formic acids and pH of fruit vinegars. Optimal partial least squares (PLS) models were developed with different preprocessing. Simultaneously, the performance of least squares-support vector machine (LS-SVM) models was compared with three kinds of inputs, including wavelet transform (WT), latent variables, and effective wavelengths (EWs). The results indicated that all LS-SVM models outperformed PLS models. The optimal correlation coefficient (r), root mean square error of prediction and bias for validation set were 0.9997, 0.3534, and −0.0110 for acetic acid by WT-LS-SVM; 0.9985, 0.1906, and 0.0025 for tartaric acid by WT-LS-SVM; 0.9987, 0.1734, and 0.0012 for formic acid by EW-LS-SVM; and 0.9996, 0.0842, and 0.0012 for pH by WT-LS-SVM, respectively. The results indicated that NIR spectroscopy (7,800–4,000 cm−1) combined with LS-SVM could be utilized as a precision method for the determination of organic acids and pH of fruit vinegars.
机译:研究了近红外(NIR)光谱法以确定果醋的乙酸,酒石酸,甲酸和pH值。最佳偏最小二乘(PLS)模型是用不同的预处理开发的。同时,将最小二乘支持向量机(LS-SVM)模型的性能与三种输入进行了比较,包括小波变换(WT),潜变量和有效波长(EWs)。结果表明,所有LS-SVM模型均优于PLS模型。 WT-LS-SVM对乙酸的最佳相关系数(r),预测均方根误差和验证集偏差为0.9997、0.3534和-0.0110。酒石酸的WT-LS-SVM为0.9985、0.1906和0.0025; EW-LS-SVM用于甲酸的0.9987、0.1734和0.0012; WT-LS-SVM的pH值分别为0.9996、0.0842和0.0012。结果表明,NIR光谱法(7,800–4,000 cm -1 )与LS-SVM结合可作为测定果醋中有机酸和pH值的精密方法。

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