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用于测定牛奶中羟基脂肪酸支链脂肪酸酯的非靶向质谱法和基于特征的分子网络分析

Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk.

作者信息

Zhu Shuang, He Yuan, Lei Jing-Nan, Gong Jia-Jia, Tan Chin Ping, Liu Yuan-Fa, Xu Yong-Jiang

机构信息

State Key Laboratory of Food Science and Technology, School of Food Science and Technology, National Engineering Reacher Center for Functional Food, National Engineering Laboratory for Cereal Fermentation Technology, Collaborative Innovation Center of Food Safety and Quality Control in Jiangsu Province, Jiangnan University, No. 1800, Lihu Road, Wuxi, 214122, Jiangsu, People's Republic of China.

Department of Food Technology, Faculty of Food Science and Technology, University Putra Malaysia, Serdang, 410500, Selangor, Malaysia.

出版信息

Anal Bioanal Chem. 2024 Jul;416(18):4111-4122. doi: 10.1007/s00216-024-05335-4. Epub 2024 May 22.

DOI:10.1007/s00216-024-05335-4
PMID:38772972
Abstract

Branched fatty acid esters of hydroxy fatty acids (FAHFAs) represent trace lipids with significant natural biological functions. While exogenous FAHFAs have been extensively studied, research on FAHFAs in milk remains limited, constraining our grasp of their nutritional roles. This study introduces a non-targeted mass spectrometry approach combined with chemical networking of spectral fragmentation patterns to uncover FAHFAs. Through meticulous sample handling and comparisons of various data acquisition and processing modes, we validate the method's superiority, identifying twice as many FAHFAs compared to alternative techniques. This validated method was then applied to different milk samples, revealing 45 chemical signals associated with known and potential FAHFAs, alongside findings of 66 ceramide/hexosylceramide (Cer/HexCer), 48 phosphatidyl ethanolamine/lyso phosphatidyl ethanolamine (PE/LPE), 21 phosphatidylcholine/lysophosphatidylcholine (PC/LPC), 16 phosphatidylinositol (PI), 7 phosphatidylserine (PS), and 11 sphingomyelin (SM) compounds. This study expands our understanding of the FAHFA family in milk and provides a fast and convenient method for identifying FAHFAs.

摘要

羟基脂肪酸的支链脂肪酸酯(FAHFAs)是具有重要天然生物学功能的微量脂质。虽然外源FAHFAs已得到广泛研究,但对牛奶中FAHFAs的研究仍然有限,这限制了我们对其营养作用的理解。本研究引入了一种非靶向质谱方法,并结合光谱碎裂模式的化学网络来发现FAHFAs。通过精心的样品处理以及对各种数据采集和处理模式的比较,我们验证了该方法的优越性,与其他技术相比,识别出的FAHFAs数量多出一倍。然后将这种经过验证的方法应用于不同的牛奶样品,发现了45个与已知和潜在FAHFAs相关的化学信号,同时还发现了66种神经酰胺/己糖神经酰胺(Cer/HexCer)、48种磷脂酰乙醇胺/溶血磷脂酰乙醇胺(PE/LPE)、21种磷脂酰胆碱/溶血磷脂酰胆碱(PC/LPC)、16种磷脂酰肌醇(PI)、7种磷脂酰丝氨酸(PS)和11种鞘磷脂(SM)化合物。本研究扩展了我们对牛奶中FAHFA家族的理解,并提供了一种快速便捷的FAHFAs鉴定方法。

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本文引用的文献

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Anal Chem. 2022 Sep 13;94(36):12292-12296. doi: 10.1021/acs.analchem.2c02117. Epub 2022 Sep 1.
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