Zhenchao Shao, , , Shuangshuang Di, , , Jie Lian*, , and , Honggang Nie*,
{"title":"细菌特异性甘油三酯作为鉴定紫水稻营养价值的潜在生物标志物","authors":"Zhenchao Shao, , , Shuangshuang Di, , , Jie Lian*, , and , Honggang Nie*, ","doi":"10.1021/jasms.5c00114","DOIUrl":null,"url":null,"abstract":"<p >Zhongzi purple rice is recognized as a nutritionally superior whole-grain variety, containing higher levels of protein, iron, dietary fiber, and vitamin B6 compared to conventional rice. While the nutritional profile of Zhongzi purple rice is well-established, the spatial distribution and structural specificity of its lipid components, especially germ-specific triacylglycerols (TAGs), remain poorly characterized. This study employs a multimodal mass spectrometric strategy to investigate the lipidomic uniqueness of the Zhongzi purple rice. The strategy combines matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) for spatial analysis, high-resolution mass spectrometry (HRMS) for primary analysis, and high-resolution tandem mass spectrometry with atmospheric pressure chemical ionization (APCI-HRMS/MS) for secondary analysis. MALDI-MSI identified seven metabolites in Zhongzi purple rice that exhibited germ-specific accumulation. In contrast, these metabolites showed markedly reduced signal intensities and lacked structured spatial distribution in conventional purple, black, and brown rice. Using a combination of lipidomic database interrogation, HRMS molecular formula validation, and APCI-HRMS/MS structural elucidation, we identified these metabolites as unsaturated fatty acid-enriched TAGs. Specifically, they were TAG(16:0/16:0/18:2), TAG(16:0/16:0/18:1), TAG(16:0/18:1/18:3), TAG(16:0/18:1/18:2), TAG(16:0/18:1/18:1), TAG(18:1/18:2/18:2), and TAG(18:1/18:1/18:2). The high unsaturation of these TAGs contributes to improved lipid hydrolysis efficiency, metabolic health benefits, and oxidative stability. These properties highlight Zhongzi purple rice as a potential functional food source. Due to their germ-specific accumulation, these compounds can act as potential biomarkers for authenticating Zhongzi purple rice and detecting adulterants. This provides a practical solution to commercial challenges in the industry. This study pushes the boundaries of cereal lipidomics through the integration of spatially resolved imaging and structural validation. The results shed light on the role of lipids in driving the nutritional and metabolic benefits of whole grains.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 10","pages":"2094–2102"},"PeriodicalIF":2.7000,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Germ-Specific Triacylglycerols as Potential Biomarkers for Authenticating Zhongzi Purple Rice, a Cultivar Recognized for Its Nutritional Value\",\"authors\":\"Zhenchao Shao, , , Shuangshuang Di, , , Jie Lian*, , and , Honggang Nie*, \",\"doi\":\"10.1021/jasms.5c00114\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Zhongzi purple rice is recognized as a nutritionally superior whole-grain variety, containing higher levels of protein, iron, dietary fiber, and vitamin B6 compared to conventional rice. While the nutritional profile of Zhongzi purple rice is well-established, the spatial distribution and structural specificity of its lipid components, especially germ-specific triacylglycerols (TAGs), remain poorly characterized. This study employs a multimodal mass spectrometric strategy to investigate the lipidomic uniqueness of the Zhongzi purple rice. The strategy combines matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) for spatial analysis, high-resolution mass spectrometry (HRMS) for primary analysis, and high-resolution tandem mass spectrometry with atmospheric pressure chemical ionization (APCI-HRMS/MS) for secondary analysis. MALDI-MSI identified seven metabolites in Zhongzi purple rice that exhibited germ-specific accumulation. In contrast, these metabolites showed markedly reduced signal intensities and lacked structured spatial distribution in conventional purple, black, and brown rice. Using a combination of lipidomic database interrogation, HRMS molecular formula validation, and APCI-HRMS/MS structural elucidation, we identified these metabolites as unsaturated fatty acid-enriched TAGs. Specifically, they were TAG(16:0/16:0/18:2), TAG(16:0/16:0/18:1), TAG(16:0/18:1/18:3), TAG(16:0/18:1/18:2), TAG(16:0/18:1/18:1), TAG(18:1/18:2/18:2), and TAG(18:1/18:1/18:2). The high unsaturation of these TAGs contributes to improved lipid hydrolysis efficiency, metabolic health benefits, and oxidative stability. These properties highlight Zhongzi purple rice as a potential functional food source. Due to their germ-specific accumulation, these compounds can act as potential biomarkers for authenticating Zhongzi purple rice and detecting adulterants. This provides a practical solution to commercial challenges in the industry. This study pushes the boundaries of cereal lipidomics through the integration of spatially resolved imaging and structural validation. 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Germ-Specific Triacylglycerols as Potential Biomarkers for Authenticating Zhongzi Purple Rice, a Cultivar Recognized for Its Nutritional Value
Zhongzi purple rice is recognized as a nutritionally superior whole-grain variety, containing higher levels of protein, iron, dietary fiber, and vitamin B6 compared to conventional rice. While the nutritional profile of Zhongzi purple rice is well-established, the spatial distribution and structural specificity of its lipid components, especially germ-specific triacylglycerols (TAGs), remain poorly characterized. This study employs a multimodal mass spectrometric strategy to investigate the lipidomic uniqueness of the Zhongzi purple rice. The strategy combines matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) for spatial analysis, high-resolution mass spectrometry (HRMS) for primary analysis, and high-resolution tandem mass spectrometry with atmospheric pressure chemical ionization (APCI-HRMS/MS) for secondary analysis. MALDI-MSI identified seven metabolites in Zhongzi purple rice that exhibited germ-specific accumulation. In contrast, these metabolites showed markedly reduced signal intensities and lacked structured spatial distribution in conventional purple, black, and brown rice. Using a combination of lipidomic database interrogation, HRMS molecular formula validation, and APCI-HRMS/MS structural elucidation, we identified these metabolites as unsaturated fatty acid-enriched TAGs. Specifically, they were TAG(16:0/16:0/18:2), TAG(16:0/16:0/18:1), TAG(16:0/18:1/18:3), TAG(16:0/18:1/18:2), TAG(16:0/18:1/18:1), TAG(18:1/18:2/18:2), and TAG(18:1/18:1/18:2). The high unsaturation of these TAGs contributes to improved lipid hydrolysis efficiency, metabolic health benefits, and oxidative stability. These properties highlight Zhongzi purple rice as a potential functional food source. Due to their germ-specific accumulation, these compounds can act as potential biomarkers for authenticating Zhongzi purple rice and detecting adulterants. This provides a practical solution to commercial challenges in the industry. This study pushes the boundaries of cereal lipidomics through the integration of spatially resolved imaging and structural validation. The results shed light on the role of lipids in driving the nutritional and metabolic benefits of whole grains.
期刊介绍:
The Journal of the American Society for Mass Spectrometry presents research papers covering all aspects of mass spectrometry, incorporating coverage of fields of scientific inquiry in which mass spectrometry can play a role.
Comprehensive in scope, the journal publishes papers on both fundamentals and applications of mass spectrometry. Fundamental subjects include instrumentation principles, design, and demonstration, structures and chemical properties of gas-phase ions, studies of thermodynamic properties, ion spectroscopy, chemical kinetics, mechanisms of ionization, theories of ion fragmentation, cluster ions, and potential energy surfaces. In addition to full papers, the journal offers Communications, Application Notes, and Accounts and Perspectives