Coffee is one of the most important agricultural commodities and has the unique organoleptic characteristics such as strong but not bitter taste,fragrant,oily,and fruity.In this study,an untargeted metabolomics approa...Coffee is one of the most important agricultural commodities and has the unique organoleptic characteristics such as strong but not bitter taste,fragrant,oily,and fruity.In this study,an untargeted metabolomics approach based on UHPLC-QE-MS was used to investigate the differences in terms of components of precursor metabolites in coffee beans from 18 producing regions worldwide.Fingerprint analysis,principal component analysis and hierarchical clustering analysis revealed a neat separation among coffee beans.Compounds with high relevance to variance in the projection values in supervised multivariate analysis were selected as important metabolites for the discrimination of coffee samples.In total,10 different families of compounds were considered as potential markers of the coffee beans:3-hydroxycoumarin,4,5-di-O-caffeoylquinic,cryptochlorogenic acid,palmitic amide,linoleamide,arachidic acid,petroselinic acid,trehalose,L-glutamic acid,L-malic acid.The findings presented herein serve as a suitable framework for the design of novel discrimination strategies in food origin tracing.展开更多
Comparative metabolomics plays a crucial role in investigating gene function,exploring metabolite evolution,and accelerating crop genetic improvement.However,a systematic platform for intra-and crossspecies comparison...Comparative metabolomics plays a crucial role in investigating gene function,exploring metabolite evolution,and accelerating crop genetic improvement.However,a systematic platform for intra-and crossspecies comparison of metabolites is currently lacking.Here,we report the Plant Comparative Metabolome Database(PCMD;http://yanglab.hzau.edu.cn/PCMD),a multilevel comparison database based on predicted metabolic profiles of 530 plant species.The PCMD serves as a platform for comparing metabolite characteristics at various levels,including species,metabolites,pathways,and biological taxonomy.The database also provides a number of user-friendly online tools,such as species comparison,metabolite enrichment,and ID conversion,enabling users to perform comparisons and enrichment analyses of metabolites across different species.In addition,the PCMD establishes a unified system based on existing metabolite-related databases by standardizing metabolite numbering.The PCMD is the most speciesrich comparative plant metabolomics database currently available,and a case study demonstrates its ability to provide new insights into plant metabolic diversity.展开更多
基金This work was supported by Risk assessment of agricultural product quality and safety-Building a coffee quality index system[grant number 125D0202].
文摘Coffee is one of the most important agricultural commodities and has the unique organoleptic characteristics such as strong but not bitter taste,fragrant,oily,and fruity.In this study,an untargeted metabolomics approach based on UHPLC-QE-MS was used to investigate the differences in terms of components of precursor metabolites in coffee beans from 18 producing regions worldwide.Fingerprint analysis,principal component analysis and hierarchical clustering analysis revealed a neat separation among coffee beans.Compounds with high relevance to variance in the projection values in supervised multivariate analysis were selected as important metabolites for the discrimination of coffee samples.In total,10 different families of compounds were considered as potential markers of the coffee beans:3-hydroxycoumarin,4,5-di-O-caffeoylquinic,cryptochlorogenic acid,palmitic amide,linoleamide,arachidic acid,petroselinic acid,trehalose,L-glutamic acid,L-malic acid.The findings presented herein serve as a suitable framework for the design of novel discrimination strategies in food origin tracing.
基金supported by the National Natural Science Foundation of China(32322061 and 32070559)the Fundamental Research Funds for the Central University HZAU(2662022XXYJ007 and 2662023XX PY001)the China Postdoctoral Science Foundation(2024M751038)。
文摘Comparative metabolomics plays a crucial role in investigating gene function,exploring metabolite evolution,and accelerating crop genetic improvement.However,a systematic platform for intra-and crossspecies comparison of metabolites is currently lacking.Here,we report the Plant Comparative Metabolome Database(PCMD;http://yanglab.hzau.edu.cn/PCMD),a multilevel comparison database based on predicted metabolic profiles of 530 plant species.The PCMD serves as a platform for comparing metabolite characteristics at various levels,including species,metabolites,pathways,and biological taxonomy.The database also provides a number of user-friendly online tools,such as species comparison,metabolite enrichment,and ID conversion,enabling users to perform comparisons and enrichment analyses of metabolites across different species.In addition,the PCMD establishes a unified system based on existing metabolite-related databases by standardizing metabolite numbering.The PCMD is the most speciesrich comparative plant metabolomics database currently available,and a case study demonstrates its ability to provide new insights into plant metabolic diversity.
