Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storage
Natural storage promotes raw Pu-erh tea (RaPT) aging along with chemical conversion and flavor evolution. In this study, quantitative descriptive analysis (QDA) and UHPLC-Orbitrap-MS/MS-based non-targeted metabolomics were performed to illustrate dynamic changes of taste compounds across 18 RaPT sam...
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Elsevier
2025-01-01
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| Series: | Food Chemistry: X |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590157525000811 |
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| author | Bingsong Ma Cunqiang Ma Binxing Zhou Xuan Chen Yuhua Wang Yifan Li Junfeng Yin Xinghui Li |
| author_facet | Bingsong Ma Cunqiang Ma Binxing Zhou Xuan Chen Yuhua Wang Yifan Li Junfeng Yin Xinghui Li |
| author_sort | Bingsong Ma |
| collection | DOAJ |
| description | Natural storage promotes raw Pu-erh tea (RaPT) aging along with chemical conversion and flavor evolution. In this study, quantitative descriptive analysis (QDA) and UHPLC-Orbitrap-MS/MS-based non-targeted metabolomics were performed to illustrate dynamic changes of taste compounds across 18 RaPT samples during the storage. Multivariate statistical analyses effectively classified stored RaPT into three groups based on storage stages, confirming that storage duration, rather than environmental conditions, primarily influences the taste profile and the changes in non-volatile compounds. A total of 509 characteristic metabolites (VIP > 1.0, P < 0.05, and FC > 1.50 or < 0.67) including multifarious flavor compounds related to tastes evolution were identified. Notable changes included the reduction, transformation, and condensation of flavonoids (such as catechins, flavonol glycosides, and anthocyanins) and amino acids, alongside an accumulation of organic acids, catechin/amino acid derivatives, flavoalkaloids, and gallic acid. These transformations generated significantly (P < 0.05) decreased umami, bitterness, and astringency, while significantly (P < 0.05) increasing sourness and kokumi. Molecular docking analyses further revealed that certain compounds, notably puerins and N-ethyl-2-pyrrolidone-substituted flavan-3-ols (EPSFs), exhibit high binding affinities with CaSR and OTOP1, contributing to the kokumi and sourness taste profiles. |
| format | Article |
| id | doaj-art-b2a3ebe774f44e719a59941d67127257 |
| institution | Kabale University |
| issn | 2590-1575 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Elsevier |
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| series | Food Chemistry: X |
| spelling | doaj-art-b2a3ebe774f44e719a59941d671272572025-02-12T05:32:40ZengElsevierFood Chemistry: X2590-15752025-01-0125102234Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storageBingsong Ma0Cunqiang Ma1Binxing Zhou2Xuan Chen3Yuhua Wang4Yifan Li5Junfeng Yin6Xinghui Li7College of Horticulture, Nanjing Agricultural University, Nanjing, 210095, Jiangsu, China; Tea Research Institute Chinese Academy of Agricultural Sciences, Key Laboratory of Tea Biology and Resources Utilization, Ministry of Agriculture, 9 South Meiling Road, Hangzhou 310008, ChinaCollege of Horticulture, Nanjing Agricultural University, Nanjing, 210095, Jiangsu, ChinaCollege of Tea Science, Yunnan Agricultural University, Kunming 650201, Yunnan, ChinaCollege of Horticulture, Nanjing Agricultural University, Nanjing, 210095, Jiangsu, ChinaCollege of Horticulture, Nanjing Agricultural University, Nanjing, 210095, Jiangsu, ChinaTea Research Institute Chinese Academy of Agricultural Sciences, Key Laboratory of Tea Biology and Resources Utilization, Ministry of Agriculture, 9 South Meiling Road, Hangzhou 310008, ChinaTea Research Institute Chinese Academy of Agricultural Sciences, Key Laboratory of Tea Biology and Resources Utilization, Ministry of Agriculture, 9 South Meiling Road, Hangzhou 310008, ChinaCollege of Horticulture, Nanjing Agricultural University, Nanjing, 210095, Jiangsu, China; Corresponding author at: College of Horticulture, Nanjing Agricultural University, Weigang No. 1, Xuanwu District, Nanjing 210095, Jiangsu Province, China.Natural storage promotes raw Pu-erh tea (RaPT) aging along with chemical conversion and flavor evolution. In this study, quantitative descriptive analysis (QDA) and UHPLC-Orbitrap-MS/MS-based non-targeted metabolomics were performed to illustrate dynamic changes of taste compounds across 18 RaPT samples during the storage. Multivariate statistical analyses effectively classified stored RaPT into three groups based on storage stages, confirming that storage duration, rather than environmental conditions, primarily influences the taste profile and the changes in non-volatile compounds. A total of 509 characteristic metabolites (VIP > 1.0, P < 0.05, and FC > 1.50 or < 0.67) including multifarious flavor compounds related to tastes evolution were identified. Notable changes included the reduction, transformation, and condensation of flavonoids (such as catechins, flavonol glycosides, and anthocyanins) and amino acids, alongside an accumulation of organic acids, catechin/amino acid derivatives, flavoalkaloids, and gallic acid. These transformations generated significantly (P < 0.05) decreased umami, bitterness, and astringency, while significantly (P < 0.05) increasing sourness and kokumi. Molecular docking analyses further revealed that certain compounds, notably puerins and N-ethyl-2-pyrrolidone-substituted flavan-3-ols (EPSFs), exhibit high binding affinities with CaSR and OTOP1, contributing to the kokumi and sourness taste profiles.http://www.sciencedirect.com/science/article/pii/S2590157525000811Stored teaTaste compoundsAging mechanismMolecular dockingKokumi |
| spellingShingle | Bingsong Ma Cunqiang Ma Binxing Zhou Xuan Chen Yuhua Wang Yifan Li Junfeng Yin Xinghui Li Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storage Food Chemistry: X Stored tea Taste compounds Aging mechanism Molecular docking Kokumi |
| title | Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storage |
| title_full | Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storage |
| title_fullStr | Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storage |
| title_full_unstemmed | Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storage |
| title_short | Quantitative descriptive analysis, non-targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw Pu-erh tea during the storage |
| title_sort | quantitative descriptive analysis non targeted metabolomics and molecular docking reveal the dynamic aging and taste formation mechanism in raw pu erh tea during the storage |
| topic | Stored tea Taste compounds Aging mechanism Molecular docking Kokumi |
| url | http://www.sciencedirect.com/science/article/pii/S2590157525000811 |
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