Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk
Branched fatty acid esters of hydroxy fatty acids (FAHFAs) represent trace lipids with significant natural biological functions. While exogenous FAHFAs have been extensively studied, research on FAHFAs in milk remains limited, constraining our grasp of their nutritional roles. This study introduces...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer Science and Business Media Deutschland GmbH
2024
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| Online Access: | http://psasir.upm.edu.my/id/eprint/117567/ http://psasir.upm.edu.my/id/eprint/117567/1/117567.pdf |
| _version_ | 1848867284396802048 |
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| author | Zhu, Shuang He, Yuan Lei, Jing-Nan Gong, Jia-Jia Tan, Chin Ping Liu, Yuan-Fa Xu, Yong-Jiang |
| author_facet | Zhu, Shuang He, Yuan Lei, Jing-Nan Gong, Jia-Jia Tan, Chin Ping Liu, Yuan-Fa Xu, Yong-Jiang |
| author_sort | Zhu, Shuang |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | Branched fatty acid esters of hydroxy fatty acids (FAHFAs) represent trace lipids with significant natural biological functions. While exogenous FAHFAs have been extensively studied, research on FAHFAs in milk remains limited, constraining our grasp of their nutritional roles. This study introduces a non-targeted mass spectrometry approach combined with chemical networking of spectral fragmentation patterns to uncover FAHFAs. Through meticulous sample handling and comparisons of various data acquisition and processing modes, we validate the method’s superiority, identifying twice as many FAHFAs compared to alternative techniques. This validated method was then applied to different milk samples, revealing 45 chemical signals associated with known and potential FAHFAs, alongside findings of 66 ceramide/hexosylceramide (Cer/HexCer), 48 phosphatidyl ethanolamine/lyso phosphatidyl ethanolamine (PE/LPE), 21 phosphatidylcholine/lysophosphatidylcholine (PC/LPC), 16 phosphatidylinositol (PI), 7 phosphatidylserine (PS), and 11 sphingomyelin (SM) compounds. This study expands our understanding of the FAHFA family in milk and provides a fast and convenient method for identifying FAHFAs. |
| first_indexed | 2025-11-15T14:34:03Z |
| format | Article |
| id | upm-117567 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T14:34:03Z |
| publishDate | 2024 |
| publisher | Springer Science and Business Media Deutschland GmbH |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-1175672025-07-09T08:42:11Z http://psasir.upm.edu.my/id/eprint/117567/ Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk Zhu, Shuang He, Yuan Lei, Jing-Nan Gong, Jia-Jia Tan, Chin Ping Liu, Yuan-Fa Xu, Yong-Jiang Branched fatty acid esters of hydroxy fatty acids (FAHFAs) represent trace lipids with significant natural biological functions. While exogenous FAHFAs have been extensively studied, research on FAHFAs in milk remains limited, constraining our grasp of their nutritional roles. This study introduces a non-targeted mass spectrometry approach combined with chemical networking of spectral fragmentation patterns to uncover FAHFAs. Through meticulous sample handling and comparisons of various data acquisition and processing modes, we validate the method’s superiority, identifying twice as many FAHFAs compared to alternative techniques. This validated method was then applied to different milk samples, revealing 45 chemical signals associated with known and potential FAHFAs, alongside findings of 66 ceramide/hexosylceramide (Cer/HexCer), 48 phosphatidyl ethanolamine/lyso phosphatidyl ethanolamine (PE/LPE), 21 phosphatidylcholine/lysophosphatidylcholine (PC/LPC), 16 phosphatidylinositol (PI), 7 phosphatidylserine (PS), and 11 sphingomyelin (SM) compounds. This study expands our understanding of the FAHFA family in milk and provides a fast and convenient method for identifying FAHFAs. Springer Science and Business Media Deutschland GmbH 2024 Article PeerReviewed text en http://psasir.upm.edu.my/id/eprint/117567/1/117567.pdf Zhu, Shuang and He, Yuan and Lei, Jing-Nan and Gong, Jia-Jia and Tan, Chin Ping and Liu, Yuan-Fa and Xu, Yong-Jiang (2024) Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk. Analytical and Bioanalytical Chemistry, 416 (18). pp. 4111-4122. ISSN 1618-2642; eISSN: 1618-2650 https://link.springer.com/article/10.1007/s00216-024-05335-4?error=cookies_not_supported&code=c6961621-58f7-4e0d-9a9e-ec4078561055 10.1007/s00216-024-05335-4 |
| spellingShingle | Zhu, Shuang He, Yuan Lei, Jing-Nan Gong, Jia-Jia Tan, Chin Ping Liu, Yuan-Fa Xu, Yong-Jiang Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk |
| title | Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk |
| title_full | Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk |
| title_fullStr | Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk |
| title_full_unstemmed | Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk |
| title_short | Non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk |
| title_sort | non-targeted mass spectrometry and feature-based molecular networking for determination of branched fatty acid esters of hydroxy fatty acids in milk |
| url | http://psasir.upm.edu.my/id/eprint/117567/ http://psasir.upm.edu.my/id/eprint/117567/ http://psasir.upm.edu.my/id/eprint/117567/ http://psasir.upm.edu.my/id/eprint/117567/1/117567.pdf |