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利用定量 NMR 和多元统计方法分析和鉴别加拿大蜂蜜。

Analysis and Discrimination of Canadian Honey Using Quantitative NMR and Multivariate Statistical Methods.

机构信息

Aquatic and Crop Resource Development, National Research Council of Canada, Halifax, NS B3H 3Z1, Canada.

Trace Analysis Research Centre, Department of Chemistry, Dalhousie University, P.O. Box 15000, Halifax, NS B3H 4R2, Canada.

出版信息

Molecules. 2023 Feb 9;28(4):1656. doi: 10.3390/molecules28041656.

DOI:10.3390/molecules28041656
PMID:36838644
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9959790/
Abstract

To address the growing concern of honey adulteration in Canada and globally, a quantitative NMR method was developed to analyze 424 honey samples collected across Canada as part of two surveys in 2018 and 2019 led by the Canadian Food Inspection Agency. Based on a robust and reproducible methodology, NMR data were recorded in triplicate on a 700 MHz NMR spectrometer equipped with a cryoprobe, and the data analysis led to the identification and quantification of 33 compounds characteristic of the chemical composition of honey. The high proportion of Canadian honey in the library provided a unique opportunity to apply multivariate statistical methods including PCA, PLS-DA, and SIMCA in order to differentiate Canadian samples from the rest of the world. Through satisfactory model validation, both PLS-DA as a discriminant modeling technique and SIMCA as a class modeling method proved to be reliable at differentiating Canadian honey from a diverse set of honeys with various countries of origins and floral types. The replacement method of optimization was successfully applied for variable selection, and trigonelline, proline, and ethanol at a lower extent were identified as potential chemical markers for the discrimination of Canadian and non-Canadian honeys.

摘要

为了解决加拿大乃至全球范围内蜂蜜掺假问题日益严重的问题,加拿大食品检验局在 2018 年和 2019 年进行了两次调查,采集了 424 个蜂蜜样本,开发了一种定量 NMR 方法来对这些样本进行分析。该方法基于稳健且可重复的方法,在配备有低温探头的 700MHz NMR 光谱仪上对 NMR 数据进行了三重记录,并对数据进行了分析,从而鉴定和定量了 33 种具有蜂蜜化学特征的化合物。该库中加拿大蜂蜜的高比例为应用多元统计方法(包括 PCA、PLS-DA 和 SIMCA)提供了一个独特的机会,以便将加拿大样本与世界其他地区的样本区分开来。通过令人满意的模型验证,PLS-DA 作为一种判别建模技术和 SIMCA 作为一种分类建模方法,都被证明可以可靠地区分来自不同国家和花型的各种蜂蜜的加拿大蜂蜜。优化的替换方法成功地应用于变量选择,鉴定出了三磷酸肌醇、脯氨酸和乙醇作为区分加拿大和非加拿大蜂蜜的潜在化学标志物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/0508edffd747/molecules-28-01656-g008.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/5300a4036b08/molecules-28-01656-g005.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/d628f87b9216/molecules-28-01656-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/0508edffd747/molecules-28-01656-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/983c0432c5ee/molecules-28-01656-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/402f14272d0c/molecules-28-01656-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/71558aa140ae/molecules-28-01656-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/cef4eb149e9b/molecules-28-01656-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8efa/9959790/5300a4036b08/molecules-28-01656-g005.jpg
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