Integrated Metabolomics Reveals Chemical Differentiation among Andean Rubus Species and R. glaucus Genotypes

IF 6.7 1区农林科学 Q1 AGRICULTURE, MULTIDISCIPLINARY

Journal of Agricultural and Food Chemistry Pub Date : 2026-10-17 DOI:10.1021/acs.jafc.6c09379

Nathalia Cardona-Hurtado,Gloria Edith Guerrero-Álvarez,Ana M. León-Inga,Ana María López,Mónica P. Cala

{"title":"Integrated Metabolomics\nReveals Chemical Differentiation\namong Andean\n Rubus\n Species and\n R. glaucus\n Genotypes","authors":"Nathalia Cardona-Hurtado,Gloria Edith Guerrero-Álvarez,Ana M. León-Inga,Ana María López,Mónica P. Cala","doi":"10.1021/acs.jafc.6c09379","DOIUrl":null,"url":null,"abstract":"Abstract The metabolic diversity of Rubus fruits is relevant for authentication, nutritional assessment, and breeding, but biochemical information about Andean germplasm remains limited. This study aimed to characterize phytochemical variation at interspecific and intraspecific levels by integrating untargeted LC–QTOF-MS, targeted LC–QqQ-MS phenolic profiling, antioxidant assays, and molecular networking. Three Rubus materials and five Rubus glaucus genotypes were evaluated. Chemometric analysis revealed metabolic separation among the Rubus materials, with 63 differentially annotated metabolites in the untargeted analysis and 25 compounds significantly different in targeted profiling. Among R. glaucus genotypes, 79 differentially annotated metabolites and 12 targeted compounds showed differences. Discriminatory metabolites included phenylpropanoid-derived phenolics, organic acids, and glycerophospholipids. R. glaucus materials showed higher antioxidant capacity in several assays, with differences in phenolic composition. Correlation analysis revealed associations among phenolic, primary carbon, and lipid-related metabolism. The integrated approach characterized metabolic variation and identified metabolites associated with their chemical differentiation.","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"33 1","pages":""},"PeriodicalIF":6.7000,"publicationDate":"2026-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Agricultural and Food Chemistry","FirstCategoryId":"97","ListUrlMain":"https://doi.org/10.1021/acs.jafc.6c09379","RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"AGRICULTURE, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Abstract The metabolic diversity of Rubus fruits is relevant for authentication, nutritional assessment, and breeding, but biochemical information about Andean germplasm remains limited. This study aimed to characterize phytochemical variation at interspecific and intraspecific levels by integrating untargeted LC–QTOF-MS, targeted LC–QqQ-MS phenolic profiling, antioxidant assays, and molecular networking. Three Rubus materials and five Rubus glaucus genotypes were evaluated. Chemometric analysis revealed metabolic separation among the Rubus materials, with 63 differentially annotated metabolites in the untargeted analysis and 25 compounds significantly different in targeted profiling. Among R. glaucus genotypes, 79 differentially annotated metabolites and 12 targeted compounds showed differences. Discriminatory metabolites included phenylpropanoid-derived phenolics, organic acids, and glycerophospholipids. R. glaucus materials showed higher antioxidant capacity in several assays, with differences in phenolic composition. Correlation analysis revealed associations among phenolic, primary carbon, and lipid-related metabolism. The integrated approach characterized metabolic variation and identified metabolites associated with their chemical differentiation.

查看原文本刊更多论文

综合代谢组学揭示安第斯红莓种和青花紫莓基因型之间的化学差异

摘要山莓果实的代谢多样性与鉴定、营养评估和育种有关，但安第斯山脉种质的生化信息有限。本研究旨在通过整合非靶向LC-QTOF-MS、靶向LC-QqQ-MS酚类分析、抗氧化分析和分子网络来表征种间和种内水平的植物化学变化。对三种红鲌材料和五种青光眼红鲌基因型进行了评价。化学计量学分析显示，这些红藓属物质之间存在代谢分离，其中63种代谢物在非靶向分析中有差异注释，25种化合物在靶向分析中有显著差异。在不同基因型中，79个差异标记代谢物和12个目标化合物存在差异。鉴别代谢物包括苯基丙烷衍生的酚类物质、有机酸和甘油磷脂。在不同的酚类成分条件下，青松材料的抗氧化能力较好。相关分析显示酚类、原碳和脂类相关代谢之间存在关联。综合方法表征了代谢变异，并鉴定了与其化学分化相关的代谢物。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Agricultural and Food Chemistry 农林科学-农业综合

CiteScore

9.90

自引率

8.20%

发文量

1375

审稿时长

2.3 months

期刊介绍： The Journal of Agricultural and Food Chemistry publishes high-quality, cutting edge original research representing complete studies and research advances dealing with the chemistry and biochemistry of agriculture and food. The Journal also encourages papers with chemistry and/or biochemistry as a major component combined with biological/sensory/nutritional/toxicological evaluation related to agriculture and/or food.