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Un raveling the acetals as ageing markers of Chinese Highland Qingke Baijiu using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry combined with metabolomics approach

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Food Quality and Safety 2021年第3期5卷 239-246页

作者： Xinlei Wang Xuebo Song Lin Zhu Xiaojie Geng Fuping Zheng Qiangzhong Zhao Xiaotao Sun Dongrui Zhao Shengbao Feng Mourning Zhao Baoguo Sun Beijing Laboratory of Food Quality and Safety Beijing Technology and Business UniversityBeijingChina Beijing Advanced Innovation Center for Food Nutrition and Human Health Beijing Technology and Business UniversityBeijingChina School of Food Science and Engineering South China University of TechnologyGuangzhouChina Hebei Hengshui Laobaigan Liquor Co. Ltd.HengshuiChina Qinghai Huzhu Highland Barley Wine Co. Ltd.HuzhuChina

Objectives:The ageing process has a significant impact on the aroma of Chinese Baijiu,which could strengthen the desirable flavor characteristics and reduce the undesirable *** aim of this study was to observe the in itiation of mean in gful cha nges in volatile fracti on and locate the ageing markers during ageing storage of Chinese Highland Qingke *** and Methods:Samples of Chinese Qingke Baijiu were aged for 0,1,2,3,4,5,6,7,8,9,10,and 11 mon ths before an *** samples were isolated by liquid-liquid extraction and then analyzed by comprehensive two-dimensional gas chromatography-time-of-flight mass *** acquired data were processed by untargeted and targeted metabolomics approach to locate the ageing ***:The untargeted metabolomics analysis(hierarchical clustering analysis,HCA)shows that the chemical composition of Qingke Baijiu presents a statistically sigrdficant deviation from the reference scenario after 5 mon ***,supervised statistics analysis(orthogo nal partial least squares discrimination analysis)was performed to locate the markers,which changed sigrdficantly during *** markers were located,and seven of them were ***,1,1-diethoxy-propane,1,1-diethoxy-butane,and 1,1-diethoxy-3-methyl-butane are important contributors to the flavor of Chinese *** identified markers were applied for the untargeted metabolomics(HCA),and the results revealed that these markers could divide the Qingke Baijiu into two ageing stages,0-5 months and 6-11 ***:The results suggest that it is a valuable tool for monitoring the changes of volatile compounds and locating the age markers in Chinese Baijiu.

关键词： Ageing marker metabolomics approach Highland Qingke Baijiu comprehensive two-dimensional gas chromatog-raphy-time-of-flight mass spectrometry.

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Systematic analysis of the metabolites of Angelol B by UPLC-Q-TOF-MS after oral administration to rats

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Chinese Journal of Natural Medicines 2019年第11期17卷 822-834页

作者： WAN Mei-Qi ZHANG You-Bo LIU Xiao-Yan LI Ke-Ming JIA Ling-Yun YANG Xiu-Wei A school of Traditional Chinese Materia Medica Shenyang Pharmaceutical UniversityShenyang 110016China State Key Laboratory of Natural and Biomimetic Drugs Department of Natural MedicinesSchool of Pharmaceutical SciencesPeking UniversityBeijing 100191China Shandong Academy of Tranditional Chinese Medicine Jinan 250014China

Angelicae Pubescentis Radix(APR), a widely used traditional Chinese medicine(TCM), is mainly used to treat rheumatism and headache diseases. Angelol B is one of the bioactive constituents of APR with significant anti-inflammatory activity. This paper is aimed to illustrate the metabolites of angelol B in vivo. To achieve this objective, a metabolomics approach based on a rapid and accurate UPLC-Q-TOF-MS method was used to detect the metabolites of Angelol B in rat. A gradient elution system(ACN and 0.1% formic acid water) equipped with an Agilent SB-C18 column(1.8 μm, 2.1 mm × 50 mm) to complete the separation. Scanning area at m/z 100-800 operated on an electrospray ionization(ESI). The data were collected in both positive and negative ion mode and analyzed by the Masslynx 4.1 and SIMCA 13.0 software. A total of 31 metabolites including 20 phase Ⅰ and 11 phase Ⅱ metabolites were identified. Their structure and fragmentation process were deduced based on the MS and MS/MS data. All of thirty-one metabolites are new compounds based on the search of SCI-Finder database.

关键词： Angelol B UPLC-Q-TOF-MS metabolomics approach Metabolism

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