基于非靶向代谢组学的甘肃不同地区浆水代谢物差异分析
Analysis of metabolite differences in Jiang-shui from different regions based on untargeted metabolomics
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摘要: 【目的】 研究甘肃省不同地区浆水的代谢组学差异。【方法】 采用超高效液相色谱-静电场轨道阱高分辨质谱联用(UHPLC-Orbitrap ExplorisTM 480 MS)技术与多元统计分析方法对甘肃省定西市、兰州市和天水市3个地区的浆水样品进行非靶向代谢组学检测与分析。【结果】 3个地区浆水样品中共检测到1746种代谢物,在正、负离子模式分别有1107种和639种,其中脂质及类脂质分子219种、苯基丙酮和多酮类化合物96种、有机杂环化合物446种、有机酸及其衍生物360种、苯类化合物284种、有机氧化合物183种、有机氮化合物49种、有机硫化合物5种。天水浆水样品与其余2个地区浆水样品间表现出明显的差异性,而这2个地区浆水样品之间存在一定的相似性。通过正交偏最小二乘-判别分析(OPLS-DA)(VIP>1且P<0.05)共筛选出568种差异代谢物,包括36种呈味代谢物,其中酸味和苦味物质是影响浆水滋味的主要代谢物,而酸味物质主要聚集在天水浆水中,苦味物质主要聚集在兰州浆水中。筛选到的21种生物活性物质中,酚酸类化合物和有机酸含量较为丰富。通过京都基因与基因组百科全书(KEGG)注释并确定了丙氨酸、天冬氨酸和谷氨酸代谢通路为3个地区差异代谢物显著富集的重要代谢途径。【结论】 不同地区浆水样品在代谢物组成、含量及代谢途径方面均存在显著差异,可为深入了解甘肃浆水品质形成机制提供参考。Abstract: 【Objective】This study aimed to investigate the metabolomic differences among Jiang-shui samples from different regions of Gansu Province.【Methods】Jiang-shui samples collected from Dingxi, Lanzhou, and Tianshui in Gansu Province were subjected to non-targeted metabolomics analysis using ultra-high performance liquid chromatography coupled with Orbitrap ExplorisTM 480 high-resolution mass spectrometry (UHPLC-Orbitrap ExplorisTM 480 MS) combined with multivariate statistical analysis.【Results】A total of 1746 metabolites were detected in the Jiang-shui samples from the three regions, with 1107 and 639 metabolites identified in positive and negative ion modes, respectively. These included 219 lipids and lipid-like molecules, 96 phenylpropanoids and polyketides, 446 organic heterocyclic compounds, 360 organic acids and derivatives, 284 benzenoids, 183 organic oxygen compounds, 49 organic nitrogen compounds, and 5 organic sulfur compounds. The Tianshui samples showed significant differences from those of the other two regions, whereas the Dingxi and Lanzhou samples exhibited certain similarities. Orthogonal partial least squares-discriminant analysis (OPLS-DA) with VIP>1 and P<0.05 identified 568 differential metabolites, including 36 taste-related metabolites. Among them, sour and bitter substances were the main contributors to the taste of Jiang-shui; sour substances were predominantly accumulated in Tianshui samples, while bitter substances were mainly concentrated in Lanzhou samples. Among the 21 bioactive substances identified, phenolic acids and organic acids were relatively abundant. Kyoto Encyclopedia of Genes and Genomes (KEGG) annotation revealed that the alanine, aspartate and glutamate metabolism pathway was significantly enriched among the differential metabolites from the three regions.【Conclusion】The Jiang-shui samples from different regions exhibited significant differences in metabolite composition, abundance, and metabolic pathways. These findings provide a reference for further understanding the quality formation mechanism of Gansu Jiang-shui.
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