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基于非靶向 UHPLC-MS 和化学计量学分析的瓜拉那种子的地理起源。

Geographical origin of guarana seeds from untargeted UHPLC-MS and chemometrics analysis.

机构信息

Coordination of Technology and Innovation, National Institute for Amazonian Research, Manaus, Amazonas, Brazil.

Chemistry Department, Amazonas Federal University, Av. Rodrigo Octávio, 6.200, Japiim, Manaus, Amazonas, Brazil.

出版信息

Food Chem. 2022 Mar 1;371:131068. doi: 10.1016/j.foodchem.2021.131068. Epub 2021 Sep 15.

DOI:10.1016/j.foodchem.2021.131068
PMID:34571409
Abstract

Guarana is one of the most popular functional foods in the Amazon and widely used in the world. This work aimed to study the chemical composition of guarana produced by the main producing states and try to associate their geographical origin. We report an untargeted metabolomic analytical method performed by UHPLC-ESI-IT-MS and multivariate analysis (chemometrics) of guarana seeds, which was able to separate the samples according to their geographical origin. Previously, full chromatogram range was analyzed, and it could be observed that the two main compounds, catechin and epicatechin, have introduced large data variance in PCA analysis not related to the geographical origin of samples. After exclusion of the corresponding peaks, it was possible to obtain three main clusters corresponding to samples from Amazonas, Bahia and Mato Grosso. Thirteen dimers and trimers of procyanidins type A and B were identified by PCA and UHPLC-ESI-Q-TOF-MS/MS, as chemical markers of geographic origin.

摘要

瓜拉那是亚马逊地区最受欢迎的功能性食品之一,在世界范围内广泛使用。本工作旨在研究主要生产州生产的瓜拉那的化学成分,并尝试将其地理起源联系起来。我们报告了一种非靶向代谢组学分析方法,通过 UHPLC-ESI-IT-MS 和多元分析(化学计量学)对瓜拉那种子进行分析,该方法能够根据其地理起源对样品进行分离。之前,对全色谱范围进行了分析,可以观察到两个主要化合物,儿茶素和表儿茶素,在 PCA 分析中引入了与样品地理起源无关的大量数据方差。排除相应的峰后,有可能获得三个主要的聚类,对应于来自亚马逊、巴伊亚和马托格罗索的样品。通过 PCA 和 UHPLC-ESI-Q-TOF-MS/MS 鉴定了 13 种原花青素 A 型和 B 型的二聚体和三聚体,作为地理起源的化学标志物。

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