核磁共振技术结合化学计量学分析不同来源单花蜜的差异
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国家自然科学青年基金项目(31501477)


Difference in Unifloral-honeys of Different Floral Origins by NMR Technologies Combined with Chemometrics
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    摘要:

    采用核磁共振(NMR)技术结合化学计量学分析方法对4种蜜源的单花蜜(洋槐蜜、荆条蜜、葵花蜜和麦卢卡蜜)的核磁共振氢谱进行差异分析。优化前处理方法并对数据进行预处理后,采用无监督的主成分分析(PCA)和有监督的偏最小二乘判别分析(PLS-DA)、正交偏最小二乘判别分析(OPLS-DA)等多元统计分析方法从核磁信号中提取各组的分类信息。结果表明:采用分散液液萃取法(DLLME)可避免蜂蜜中大量糖对低含量特征性强的化合物的信号掩盖,更好地涵盖δ0.5~10.0范围所有区域信号;采用log转换和帕莱托换算方式预处理数据,PCA模型可以很好地区分4种蜂蜜;利用PLS-DA所建模型对4种蜂蜜的判别解释能力达93.2%,对未知样本的预测能力为87.6%;采用置换测试法的交叉验证表明模型可靠且稳健;基于两两组间OPLS-DA模型可识别4种蜂蜜相互区分的相应核磁分段位移作为特征性变量。该方法简单、快速,可以扩展到多种蜜源单花蜜的区分、识别,为不同单花蜜的质量评价建立有效方法和预测模式。

    Abstract:

    Nuclear magnetic resonance (NMR) technology combined with the chemometrics method was developed for the analysis on the difference of NMR hydrogen spectrum of four kinds of floral origins containing acacia honey, vitex honey, sunflower honey and Manuka honey. Pre-processing method was optimized and the NMR data were preprocessed effectively, then the multivariate statistical analysis methods containing principal component analysis(PCA), partial least squares discriminant analysis (PLS-DA) and orthogonal partial least squares discriminant analysis (OPLS-DA) were used to extract the classification information of each group based on the nuclear magnetic signals. The results showed that disperse liquid-liquid micro-extraction (DLLME) could avoid the signals of low contents of characteristic compounds covered by the large amounts of sugar in honey and the signals of chemical shifts from δ=0.5-10.0 was observed. The data was preprocessed by log transformation and Pareto scaling, and four kinds of unifloral-honeys could be distinguished by the PCA model. The explanation and prediction abilities based on the PLS-DA model were 93.2% and 87.6%, respectively. The permutation test was used to validate the model externally and showed that model was not fitted and was robust. Corresponding NMR chemical shifts several significant markers were identified as the characteristic variables to distinguish honeys from the loading plots and correlation coefficient analysis of OPLS-DA model. The proposed method was simple and fast, and could be extended to distinguish and identify honeys from different floral origins, and provide effective method and prediction model for quality evaluation of different unifloral-honeys.

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沈葹;耿珠峰;何清;卓勤;.核磁共振技术结合化学计量学分析不同来源单花蜜的差异[J].中国食品学报,2021,21(8):324-330

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  • 在线发布日期: 2021-09-19
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