Exploring the Contribution of (Poly)phenols to the Dietary Exposome Using High Resolution Mass Spectrometry Untargeted Metabolomics.
Exploring the Contribution of (Poly)phenols to the Dietary Exposome Using High Resolution Mass Spectrometry Untargeted Metabolomics.
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DOI：
10.1002/mnfr.202100922
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发表时间：
2022-11
影响因子：
5.2
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中科院分区：
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本研究提出了构建膳食暴露体库（DEL）的工作流程，该库由来自宿主和肠道微生物组代谢的植物化学物质及其代谢物组成，用于非靶向代谢组学数据集的峰鉴定/注释。一项证据测绘行动确定了与食用富含植物化学物质的食物相关的目标分析物。分析物通过超高效液相色谱-质谱（UPLC - MS(n)）分析来自富含（多）酚的饮食干预研究的人类生物标本。随后，在非靶向代谢组学平台上分析了166种经过验证的化合物，以获得色谱和高分辨率质谱数据，用于构建DEL。DEL促进了123种与（多）酚富集饮食相关的代谢物的鉴定/注释，这些代谢物包括芳香酮、苯甲酸、鞣花酸、咖啡酰奎宁酸、儿茶酚胺、香豆素、马尿酸、羟基甲苯、苯胺、苯乙烯、苯乙烯、尿石素、戊内酯和类黄嘌呤，这些代谢物来自人类血浆和尿液参考物质的非靶向代谢组学数据集。DEL关注（多）酚及其饮食暴露代谢物，有助于在从人类生物标本中获得的非靶向代谢组学数据集中识别/注释摄入的食物成分及其相关途径。DEL将继续扩大其目标，为暴露研究中的膳食代谢物提供基于证据的数据，并为饮食干预策略的制定提供信息。本文提出了一种利用证据图谱、靶向和非靶向高分辨率质谱法构建非靶向代谢组学膳食暴露体库（DEL）的工作流程。在这里，本研究证明了在人类参考物质和非靶向代谢组学数据集中识别来自宿主和肠道代谢的膳食植物化学物质（多酚）及其代谢物的能力。
This study presents a workflow to construct a Dietary Exposome Library (DEL) comprised of phytochemicals and their metabolites derived from host and gut microbiome metabolism for use in peak identification/annotation of untargeted metabolomics datasets. An evidence mapping initiative established target analytes related to the consumption of phytochemical‐rich foods. Analytes were confirmed by ultra‐performance liquid chromatography–mass spectrometry (UPLC‐MS(n)) analysis of human biospecimens from dietary intervention studies of (poly)phenol‐rich diets. One hundred and sixty six verified compounds were subsequently analyzed on an untargeted metabolomics platform to acquire chromatographic and high‐resolution mass spectral data for construction of a DEL. The DEL facilitated identification/annotation of 123 metabolites associate with exposure to (poly)phenol enriched diets, which included aromatic ketones, benzoic acids, ellagic acids, caffeoylquinic acids, catecholamines, coumarins, hippuric acid, hydroxytoluenes, phenylamines, stilbenes, urolithins, valerolactones, and xanthonoids, in untargeted metabolomics datasets acquire from human plasma and urine reference materials. The DEL focusing on (poly)phenols and their metabolites of dietary exposure facilitated identification/annotation of ingested food components and their associated pathways in untargeted metabolomics datasets acquired from human biospecimens. The DEL continues to expand with the aim to provide evidence‐based data for dietary metabolites in exposome research and inform the development of dietary intervention strategies. A workflow is presented to construct a Dietary Exposome Library (DEL) for untargeted metabolomics, using evidence mapping, targeted and untargeted high‐resolution mass spectrometry. Here, this study demonstrates the ability to identify dietary phytochemicals (polyphenols) and their metabolites derived from host and gut metabolism in human reference materials and untargeted metabolomics datasets.