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Comparison and Determination of Acetic Acid of Plum Vinegar Using Visible/Near Infrared Spectroscopy and Multivariate Calibration

机译:使用可见/近红外光谱和多变量校准的梅花醋醋酸醋酸的比较与测定

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Visible and near infrared (Vis/NIR) spectroscopy was investigated to determine the acetic acid of plum vinegar based on three different calibration methods, including partial least squares analysis (PLS), multiple linear regression (MLR) and least squares-support vector machine (LS-SVM). Five concentration levels (100%, 80%, 60%, 40% and 20%) of plum vinegar were studied with60 samples for each level. PLS was the calibration method as well as extraction method for latent variables (LVs). Simultaneously, five effective wavelengths (EW) were selected by regression coefficients. The LVs and EWs were employed as the inputs of MLR and LS-SVM models. The optimal prediction results were achieved by LV-LS-SVM model, and the correlation coefficient (r), root mean square error of prediction (RMSEP) and bias for validation set were 0.9994, 0.2361 and 0.0064, respectively. The results indicated that Vis/NIR spectroscopy combined with chemometrics could be utilized as a parsimonious and efficient way for the determination of acetic acid of plum vinegar.
机译:研究可见和近红外(VIS / NIR)光谱检查基于三种不同的校准方法确定梅花醋的乙酸,包括偏最小二乘分析(PLS),多元线性回归(MLR)和最小二乘支持向量机( ls-svm)。为每个水平的60个样品研究了五种浓度水平(100%,80%,60%,40%和20%)的梅花醋。 PLS是校准方法以及潜在变量的提取方法(LVS)。同时,通过回归系数选择五个有效波长(EW)。使用LVS和EWS作为MLR和LS-SVM模型的输入。通过LV-LS-SVM模型实现最佳预测结果,以及相关系数(R),预测(RMSEP)的根均方误差和验证集的偏置分别为0.9994,0.2361和0.0064。结果表明,与化学计量学结合的Vis / Nir光谱可作为测定和有效地用于测定梅花醋的乙酸。

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