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Rapid Determination of Process Variables of Chinese Rice Wine Using FT-NIR Spectroscopy and Efficient Wavelengths Selection Methods

机译:FT-NIR光谱和高效波长选择方法快速确定中国黄酒的工艺变量

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摘要

There is a growing need for the effective fermentation monitoring during the manufacture of wine due to the rapid pace of change in the wine industry. In this study, Fourier transform near-infrared (FT-NIR) spectroscopy combined with chemometrics was applied to monitor time-related changes during Chinese rice wine (CRW) fermentation. Various wavelength selection methods and support vector machine (SVM) algorithm were used to improve the performances of partial least squares (PLS) models. In total, ten different calibration models were established. It was observed that the performances of models based on wavelength variables selected by variable selection methods were much better than those based on the full spectrum. In addition, nonlinear models outperformed linear models in prediction of fermentation parameters. After systemically comparing and discussing, it was found that for both ethanol and total acid, genetic algorithm-support vector machine (GA-SVM) models obtained the best result with excellent prediction accuracy. The correlation coefficients (R (2) (pre)), root mean square error of prediction (RMSEP), and the residual predictive deviation (RPD) for the prediction set were 0.94, 3.02 g/L, and 8.7 for ethanol and 0.97, 0.10 g/L, and 6.1 for total acid, respectively. The results of this study demonstrated that FT-NIR could monitor and control CRW fermentation process rapidly and efficiently with efficient variable selection algorithms and nonlinear regression tool.
机译:由于葡萄酒行业的快速变化,对葡萄酒生产过程中有效发酵监测的需求日益增长。在这项研究中,傅里叶变换近红外(FT-NIR)光谱结合化学计量学被用于监测中国黄酒(CRW)发酵过程中与时间有关的变化。各种波长选择方法和支持向量机(SVM)算法被用来改善偏最小二乘(PLS)模型的性能。总共建立了十种不同的校准模型。观察到,基于通过变量选择方法选择的波长变量的模型的性能要比基于全光谱的模型的性能好得多。此外,在预测发酵参数方面,非线性模型优于线性模型。经过系统地比较和讨论,发现对于乙醇和总酸,遗传算法-支持向量机(GA-SVM)模型均获得了最佳结果,并且具有出色的预测精度。预测集的相关系数(R(2)(pre)),预测的均方根误差(RMSEP)和残余预测偏差(RPD)分别为0.94、3.02 g / L和8.7(乙醇和0.97),总酸分别为0.10 g / L和6.1。这项研究的结果表明,FT-NIR可以通过高效的变量选择算法和非线性回归工具快速有效地监控CRW发酵过程。

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