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中国精品科技期刊2020
王红梅,李哲,王松涛,等. 基于理化性质和代谢组学的西南地区常规酿酒高粱与杂交高粱鉴别分析[J]. 食品工业科技,2024,45(19):256−267. doi: 10.13386/j.issn1002-0306.2023100133.
引用本文: 王红梅,李哲,王松涛,等. 基于理化性质和代谢组学的西南地区常规酿酒高粱与杂交高粱鉴别分析[J]. 食品工业科技,2024,45(19):256−267. doi: 10.13386/j.issn1002-0306.2023100133.
WANG Hongmei, LI Zhe, WANG Songtao, et al. Discrimination Analysis of Conventional Baijiu-making Sorghum from Southwest China and Hybrid Sorghum Based on Physicochemical Properties and Metabolomics[J]. Science and Technology of Food Industry, 2024, 45(19): 256−267. (in Chinese with English abstract). doi: 10.13386/j.issn1002-0306.2023100133.
Citation: WANG Hongmei, LI Zhe, WANG Songtao, et al. Discrimination Analysis of Conventional Baijiu-making Sorghum from Southwest China and Hybrid Sorghum Based on Physicochemical Properties and Metabolomics[J]. Science and Technology of Food Industry, 2024, 45(19): 256−267. (in Chinese with English abstract). doi: 10.13386/j.issn1002-0306.2023100133.

基于理化性质和代谢组学的西南地区常规酿酒高粱与杂交高粱鉴别分析

Discrimination Analysis of Conventional Baijiu-making Sorghum from Southwest China and Hybrid Sorghum Based on Physicochemical Properties and Metabolomics

  • 摘要: 为分析杂交高粱与西南地区常规酿酒高粱成分的差异,建立品种判别方法。本文测定了29个高粱样品的基本理化组分,采用超高效液相色谱-复合四极杆轨道阱质谱法(ultra high performance liquid chromatography coupled with Q Exactive HF-X mass spectrometry,UHPLC-Q Exactive HF-X-MS)分析不同品种类别高粱的代谢物组成,通过主成分分析(principal component analysis,PCA)、正交偏最小二乘判别分析(orthogonal partial least squares discriminant analysis,OPLS-DA)模型、聚类分析和受试者工作特征(receiver operating characteristic,ROC)曲线分析等统计学方法对理化组分和所有代谢物进行特征成分筛选和品种鉴别模型构建。结果表明西南地区常规品种的支链淀粉和单宁含量比杂交品种高,直链淀粉含量和千粒重偏低,基于理化性质可实现部分样品的鉴别。以全部1048个代谢物为变量构建OPLS-DA模型,筛选出46种主要差异代谢物,重新构建了高粱品种OPLS-DA判别模型,判别准确率达到100%。西南地区常规品种中多种酚类化合物含量相对较高。另外,基于ROC分析和质控样本(quality control sample,QC)的相对标准偏差(relative standard deviation,RSD)进一步筛选出20个诊断准确性较高且重现性较好的差异代谢物。其中丁香亭-3-葡萄糖苷和6''-O-乙酰大豆苷在常规高粱品种中具有更高的表达丰度,D-葡萄糖酸、腐胺、N-乙酰腐胺和L-谷氨酰胺在杂交高粱中含量更高。本研究揭示了西南地区常规酿酒高粱与杂交高粱的差异性,建立的基于UHPLC-Q Exactive HF-X-MS的非靶向代谢组学方法能科学准确地用于高粱品种鉴别,为高粱品种鉴别提供一种新策略。

     

    Abstract: The objective of this paper was to analyze the difference of composition between hybrid sorghum and conventional sorghum in southwest China, and to establish the method of variety identification. The basic physical and chemical components of 29 sorghum samples were determined, and the metabolite composition of 29 sorghum samples was determined by ultra high performance liquid chromatography coupled with Q Exactive HF-X mass spectrometry. The marker component screening and construction of variety identification model were carried out using stoichiometry, which included principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), cluster analysis and receiver operating characteristic (ROC) curve analysis. The model was based on the basic physicochemical composition and all metabolites. The results showed that the contents of amylopectin and tannin of the conventional varieties form southwest China were higher than that of hybrid varieties, while the contents of amylose and 1000-grain weight were lower. By analyzing the physicochemical properties, it was possible to identify certain samples. The OPLS-DA model was constructed with all 1048 compounds variables, and 46 of the differential metabolites that had a significant impact on the model identification were screened out. A novel OPLS-DA identification model was developed for sorghum varieties, achieving a 100% accuracy in identification. The conventional varieties from southwest China exhibited a relatively high concentration of phenolic compounds. Furthermore, after conducting receiver operating characteristic (ROC) curve analysis and assessing the relative standard deviation (RSD) of quality control sample (QC), 20 feature components that exhibited both high diagnostic accuracy and good reproducibility were identified. Among them, syringetin 3-glucoside and 6"-o-acetyldaidzein had higher expression abundance in conventional sorghum varieties, while D-glucarate, putsutrine, N-acetylputsutrine and L-glutamine had higher content in hybrid sorghum varieties. This study unveiled the disparity in metabolites between hybrid sorghum and conventional sorghum. The study successfully developed a scientifically rigorous and precise untargeted metabolomics approach using UHPLC-Q Exactive HF-X-MS. This method can be effectively utilized for the identification of sorghum varieties, offering a novel strategy for sorghum variety identification.

     

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