Detection of six kinds of acid in red wine with infrared spectroscopy based on FastICA and neural network

Limin Fang, M. Lin
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Abstract

For the rapid detection of the six kinds of acid in red wine, infrared (IR) spectra of 44 wine samples were analyzed. A new method of model construction based on back-propagation artificial neural networks (BP-ANN) regression and fast independent component analysis (FastICA) was proposed. This new chemometric method, named ICA-NNR, has been applied to detect the six kinds of acid in wine samples. Compared with the model built by the common used methods, such as PCR and PLS, ICA-NNR method has advantages in both the correlation coefficient and standard error of calibration. The correlation coefficients (R) between the referenced values and the model predicted values are 0.9833, 0.9759, 0.9585, 0.9989, 0.9643 and 0.9884, respectively. The results show the feasibility of establishing the models with ICA-NNR method for red wine samples¿ quantitative analysis and provide a foundation for the application and further development of IR on-line red wine analyzer.
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基于FastICA和神经网络的红外光谱法检测红葡萄酒中6种酸
为了快速检测葡萄酒中的6种酸,对44份葡萄酒样品的红外光谱进行了分析。提出了一种基于反向传播人工神经网络(BP-ANN)回归和快速独立分量分析(FastICA)的模型构建新方法。这种新的化学计量方法被命名为ICA-NNR,用于检测葡萄酒样品中的6种酸。与PCR和PLS等常用方法建立的模型相比,ICA-NNR方法在相关系数和校准标准误差方面都具有优势。参考值与模型预测值的相关系数(R)分别为0.9833、0.9759、0.9585、0.9989、0.9643和0.9884。结果表明,用ICA-NNR方法建立红酒样品定量分析模型是可行的,为红外在线红酒分析仪的应用和进一步发展奠定了基础。
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