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基于 H-NMR 的代谢组学在蔓越莓(Vaccinium macrocarpon)补充剂分析中的应用。

Application of H-NMR-based metabolomics to the analysis of cranberry (Vaccinium macrocarpon) supplements.

机构信息

Department of Chemistry and Biochemistry, University of Massachusetts Dartmouth, North Dartmouth, MA, USA.

Bruker BioSpin Inc., Billerica, MA, USA.

出版信息

Phytochem Anal. 2020 Jan;31(1):68-80. doi: 10.1002/pca.2867. Epub 2019 Aug 7.

Abstract

INTRODUCTION

Commercial cranberry supplements provide a low-sugar alternative to juices and sweetened fruit consumed for health benefits, but their phytochemical composition and associated biological activity varies depending on the source material and post-harvest processing. Proton nuclear magnetic resonance ( H-NMR) is a rapid and environmentally friendly method of generating metabolic profiles of plant materials that may be used to authenticate cranberry products.

OBJECTIVE

The H NMR-based chemometrics were used to characterise variations in metabolic profiles of cranberry supplements in comparison to a whole cranberry powder reference standard.

MATERIALS AND METHODS

The secondary metabolite profiles of nine commercial cranberry supplements were compared to a whole cranberry powder reference standard, using H-NMR with Bruker AssureNMR software and principal component analysis (PCA). Content of selected triterpenoids and organic acids was determined by quantitative NMR. Total proanthocyanidins and anthocyanins were determined by established methods.

RESULTS

PCA of H-NMR spectra showed overlap between the cranberry standard and three supplements, but most products varied substantially in metabolic profile. Metabolites contributing to the observed variance include citric acid and cranberry peel constituents ursolic acid, oleanolic acid and hyperoside. Ursolic, oleanolic, citric, quinic and malic acids were readily determined by quantitative H-NMR in the whole cranberry standard, but were below detection limits in many supplements. Proanthocyanidin and flavonoid content in several products was minimal or below detection limits.

CONCLUSION

The H-NMR chemometrics found significant variation in composition of characteristic cranberry metabolites among commercial preparations, reinforcing the need for reliable industry standards.

摘要

简介

商业蔓越莓补充剂为果汁和含糖水果提供了低糖替代品,以获取健康益处,但它们的植物化学成分和相关生物活性因原料和收获后加工而异。质子核磁共振( 1 H-NMR)是一种快速且环保的方法,可以生成植物材料的代谢谱,可用于验证蔓越莓产品。

目的

1 H-NMR 化学计量学用于比较蔓越莓全粉参考标准,描述蔓越莓补充剂代谢谱的变化。

材料和方法

使用 1 H-NMR 结合 Bruker AssureNMR 软件和主成分分析(PCA),比较了 9 种商业蔓越莓补充剂的次生代谢物谱与蔓越莓全粉参考标准。通过定量 NMR 测定选定三萜酸和有机酸的含量。采用建立的方法测定总原花青素和花青素。

结果

PCA 分析 1 H-NMR 图谱显示,蔓越莓标准品与三种补充剂之间存在重叠,但大多数产品的代谢谱差异很大。导致观察到的差异的代谢物包括柠檬酸和蔓越莓皮成分熊果酸、齐墩果酸和飞燕草苷。熊果酸、齐墩果酸、柠檬酸、奎宁酸和苹果酸可通过全蔓越莓标准品的定量 1 H-NMR 轻松测定,但在许多补充剂中低于检测限。一些产品的原花青素和类黄酮含量最小或低于检测限。

结论

1 H-NMR 化学计量学发现商业制剂中特征性蔓越莓代谢物的组成存在显著差异,这加强了对可靠行业标准的需求。

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