College of Food Science and Engineering, Wuhan Polytechnic University, Wuhan 430023, PR China.
College of Food Science and Engineering, Wuhan Polytechnic University, Wuhan 430023, PR China; Key Laboratory for Deep Processing of Major Grain and Oil (Wuhan Polytechnic University), Ministry of Education, College of Food Science and Engineering, Wuhan Polytechnic University, Wuhan 430023, PR China; Hubei Key Laboratory for Processing and Transformation of Agricultural Products (Wuhan Polytechnic University), College of Food Science and Engineering, Wuhan Polytechnic University, Wuhan 430023, PR China; Center of Food Safety, Hubei Key Research Base of Humanities and Social Science, College of Food Science and Engineering, Wuhan Polytechnic University, Wuhan 430023, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2023 Dec 15;303:123198. doi: 10.1016/j.saa.2023.123198. Epub 2023 Jul 26.
Near-infrared spectroscopy (NIRS) combined with chemometric methods were used to discriminate the geographical origins of the water caltrop shells from different regions of China. Two active substances, the total phenolic content (TPC) and total flavonoid content (TFC) in the water caltrop shells were determined through the technique as well. Principal component analysis (PCA) combined with linear discriminant analysis (LDA) was adopted to build the geographical discriminant model. Quantitative analysis models of TPC and TFC were built using partial least squares (PLS) regression. 1st derivative and randomization test (RT) methods were used to optimize the quantitative analysis models. It was found that the geographical discriminant model can correctly recognize the water caltrop shells from different regions of China with a total accuracy of 93.33%. The values of TPC and TFC obtained by the optimized models and the standard method are close. The coefficient of determination (R) and the ratio of prediction to deviation for the two substances were 0.91, 0.89 and 3.02, 3.02, respectively. The results demonstrated the feasibility of NIRS combined with chemometric methods for the geographical discrimination of water caltrop shells and the quantitative analysis of TPC and TFC in water caltrop shells.
近红外光谱（NIRS）结合化学计量学方法被用于区分来自中国不同地区的菱角壳的地理来源。该技术还测定了菱角壳中的两种活性物质，总酚含量（TPC）和总黄酮含量（TFC）。采用主成分分析（PCA）结合线性判别分析（LDA）建立了地理判别模型。采用偏最小二乘（PLS）回归建立 TPC 和 TFC 的定量分析模型。采用一阶导数和随机化检验（RT）方法对定量分析模型进行优化。结果表明，地理判别模型可以正确识别来自中国不同地区的菱角壳，总准确率为 93.33%。优化模型和标准方法得到的 TPC 和 TFC 值接近。两种物质的决定系数（R）和预测偏差比分别为 0.91、0.89 和 3.02、3.02。结果表明，NIRS 结合化学计量学方法可用于菱角壳的地理判别以及菱角壳中 TPC 和 TFC 的定量分析。
