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基于傅里叶变换近红外光谱(FT-NIR)与多元算法联用快速鉴别酸枣仁及其伪品

Rapid evaluation of Ziziphi Spinosae Semen and its adulterants based on the combination of FT-NIR and multivariate algorithms.

作者信息

Li Ming-Xuan, Shi Ya-Bo, Zhang Jiu-Ba, Wan Xin, Fang Jun, Wu Yi, Fu Rao, Li Yu, Li Lin, Su Lian-Lin, Ji De, Lu Tu-Lin, Bian Zhen-Hua

机构信息

College of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, 210023, China.

Department of Pharmacy, Wuxi TCM Hospital Affiliated to Nanjing University of Chinese Medicine, Wuxi, 214071, China.

出版信息

Food Chem X. 2023 Nov 20;20:101022. doi: 10.1016/j.fochx.2023.101022. eCollection 2023 Dec 30.

Abstract

Ziziphi Spinosae Semen (ZSS) is a valued seed renowned for its sedative and sleep-enhancing properties. However, the price increase has been accompanied by adulteration. In this study, chromaticity analysis and Fourier transform near-infrared (FT-NIR) combined with multivariate algorithms were employed to identify the adulteration and quantitatively predict the adulteration ratio. The findings suggested that the utilization of chromaticity extractor was insufficient for identification of adulteration ratio. The raw spectrum of ZMS and HAS adulterants extracted by FT-NIR was processed by SNV + CARS and 1d + SG + ICO respectively, the average accuracy of machine learning classification model was improved from 77.06 % to 97.58 %. Furthermore, the values of the calibration and prediction set of the two quantitative prediction regression models of adulteration ratio are greater than 0.99, demonstrating excellent linearity and predictive accuracy. Overall, this study demonstrated that FT-NIR combined with multivariate algorithms provided a significant approach to addressing the growing issue of ZSS adulteration.

摘要

酸枣仁是一种珍贵的种子,以其镇静和助眠特性而闻名。然而,价格上涨的同时也出现了掺假现象。在本研究中,采用色度分析和傅里叶变换近红外光谱(FT-NIR)结合多元算法来识别掺假情况并定量预测掺假比例。研究结果表明,色度提取器不足以识别掺假比例。通过FT-NIR提取的枣仁(ZMS)和山楂(HAS)掺假物的原始光谱分别采用标准正态变量变换(SNV)+ 竞争性自适应重加权算法(CARS)和一阶导数(1d)+ 平滑滤波(SG)+ 区间组合优化(ICO)进行处理,机器学习分类模型的平均准确率从77.06%提高到了97.58%。此外,掺假比例的两个定量预测回归模型的校准集和预测集的R²值均大于0.99,表明具有出色的线性度和预测准确性。总体而言,本研究表明FT-NIR结合多元算法为解决酸枣仁掺假这一日益严重的问题提供了一种重要方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/73c2/10740088/3a6c04ae3533/ga1.jpg

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