{"title":"药用提取物中活性黄酮类化合物捕集甲基乙二醛的靶向筛选——以黄芩为例","authors":"Qingrui Zhang, Xiaoxiao Zhang, Qibao Jiang, Xiaoge Li, Miaomiao Jiang","doi":"10.1002/rcm.10129","DOIUrl":null,"url":null,"abstract":"<div>\n \n \n <section>\n \n <h3> Rationale</h3>\n \n <p>Methylglyoxal (MGO) is a highly reactive carbonyl species that modifies proteins, leading to the formation of advanced glycation end products (AGEs), which contribute to diseases such as diabetes and cardiovascular disorders. Certain flavonoids, including quercetin and luteolin, can trap MGO, thereby preventing AGE formation. However, traditional screening methods for identifying MGO-trapping flavonoids are inefficient and not suitable for high-throughput analysis.</p>\n </section>\n \n <section>\n \n <h3> Methods</h3>\n \n <p>In this study, a novel screening approach was developed utilizing electrospray ionization mass spectrometry with data-dependent acquisition and neutral loss scanning (ESI-DDA-NL). Data-dependent acquisition enhances the quality of tandem mass spectra. By analyzing MS/MS fragmentation patterns, flavonoids that had formed adducts with MGO were identified based on a characteristic 72.0206-Da mass increase and a neutral loss fragment (C3H4O2, 72.0206 Da).</p>\n </section>\n \n <section>\n \n <h3> Results</h3>\n \n <p>This approach enabled the rapid identification of 10 active flavonoids from Scutellaria barbata herba extract. Among these, luteolin, quercetin, naringenin, and apigenin were already known MGO-trapping agents, while scutellarein, hispidulin, nepetin, 6-methoxyerythrictyol, 6-methoxynaringenin, and 4'-hydroxywogonin were newly identified as MGO-trapping agents. Scutellarein and hispidulin were further validated through individual MGO reactions.</p>\n </section>\n \n <section>\n \n <h3> Conclusions</h3>\n \n <p>ESI-DDA-NL is an effective method for screening active flavonoids in traditional Chinese medicine that are capable of trapping MGO.</p>\n </section>\n </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 24","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Targeted Screening for Active Flavonoids From Medicinal Extracts to Trap Methylglyoxal: Scutellaria barbata Herba as a Case Study\",\"authors\":\"Qingrui Zhang, Xiaoxiao Zhang, Qibao Jiang, Xiaoge Li, Miaomiao Jiang\",\"doi\":\"10.1002/rcm.10129\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n \\n <section>\\n \\n <h3> Rationale</h3>\\n \\n <p>Methylglyoxal (MGO) is a highly reactive carbonyl species that modifies proteins, leading to the formation of advanced glycation end products (AGEs), which contribute to diseases such as diabetes and cardiovascular disorders. Certain flavonoids, including quercetin and luteolin, can trap MGO, thereby preventing AGE formation. However, traditional screening methods for identifying MGO-trapping flavonoids are inefficient and not suitable for high-throughput analysis.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Methods</h3>\\n \\n <p>In this study, a novel screening approach was developed utilizing electrospray ionization mass spectrometry with data-dependent acquisition and neutral loss scanning (ESI-DDA-NL). Data-dependent acquisition enhances the quality of tandem mass spectra. By analyzing MS/MS fragmentation patterns, flavonoids that had formed adducts with MGO were identified based on a characteristic 72.0206-Da mass increase and a neutral loss fragment (C3H4O2, 72.0206 Da).</p>\\n </section>\\n \\n <section>\\n \\n <h3> Results</h3>\\n \\n <p>This approach enabled the rapid identification of 10 active flavonoids from Scutellaria barbata herba extract. Among these, luteolin, quercetin, naringenin, and apigenin were already known MGO-trapping agents, while scutellarein, hispidulin, nepetin, 6-methoxyerythrictyol, 6-methoxynaringenin, and 4'-hydroxywogonin were newly identified as MGO-trapping agents. Scutellarein and hispidulin were further validated through individual MGO reactions.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Conclusions</h3>\\n \\n <p>ESI-DDA-NL is an effective method for screening active flavonoids in traditional Chinese medicine that are capable of trapping MGO.</p>\\n </section>\\n </div>\",\"PeriodicalId\":225,\"journal\":{\"name\":\"Rapid Communications in Mass Spectrometry\",\"volume\":\"39 24\",\"pages\":\"\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2025-09-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Rapid Communications in Mass Spectrometry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/rcm.10129\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rapid Communications in Mass Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/rcm.10129","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
Targeted Screening for Active Flavonoids From Medicinal Extracts to Trap Methylglyoxal: Scutellaria barbata Herba as a Case Study
Rationale
Methylglyoxal (MGO) is a highly reactive carbonyl species that modifies proteins, leading to the formation of advanced glycation end products (AGEs), which contribute to diseases such as diabetes and cardiovascular disorders. Certain flavonoids, including quercetin and luteolin, can trap MGO, thereby preventing AGE formation. However, traditional screening methods for identifying MGO-trapping flavonoids are inefficient and not suitable for high-throughput analysis.
Methods
In this study, a novel screening approach was developed utilizing electrospray ionization mass spectrometry with data-dependent acquisition and neutral loss scanning (ESI-DDA-NL). Data-dependent acquisition enhances the quality of tandem mass spectra. By analyzing MS/MS fragmentation patterns, flavonoids that had formed adducts with MGO were identified based on a characteristic 72.0206-Da mass increase and a neutral loss fragment (C3H4O2, 72.0206 Da).
Results
This approach enabled the rapid identification of 10 active flavonoids from Scutellaria barbata herba extract. Among these, luteolin, quercetin, naringenin, and apigenin were already known MGO-trapping agents, while scutellarein, hispidulin, nepetin, 6-methoxyerythrictyol, 6-methoxynaringenin, and 4'-hydroxywogonin were newly identified as MGO-trapping agents. Scutellarein and hispidulin were further validated through individual MGO reactions.
Conclusions
ESI-DDA-NL is an effective method for screening active flavonoids in traditional Chinese medicine that are capable of trapping MGO.
期刊介绍：
Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.
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