SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk
Polyunsaturated fatty acids (PUFAs), such as arachidonic acid (ARA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA), play an important role in the nutritional value of milk lipids. However, a comprehensive analysis of PUFAs and their esters in milk is still scarce. In this study, we dev...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Published: |
Royal Society of Chemistry
2024
|
| Online Access: | http://psasir.upm.edu.my/id/eprint/105695/ |
| _version_ | 1848864582792118272 |
|---|---|
| author | Lei, Jingnan He, Yuan Zhu, Shuang Shi, Jiachen Tan, Chin-Ping Liu, Yuanfa Xu, Yong-Jiang |
| author_facet | Lei, Jingnan He, Yuan Zhu, Shuang Shi, Jiachen Tan, Chin-Ping Liu, Yuanfa Xu, Yong-Jiang |
| author_sort | Lei, Jingnan |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | Polyunsaturated fatty acids (PUFAs), such as arachidonic acid (ARA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA), play an important role in the nutritional value of milk lipids. However, a comprehensive analysis of PUFAs and their esters in milk is still scarce. In this study, we developed a novel pseudotargeted lipidomics approach, named SpecLipIDA, for determining PUFA lipids in milk. Triglycerides (TGs) and phospholipids (PLs) were separated using NH2 cartridges, and mass spectrometry data in the information-dependent acquisition (IDA) mode were preprocessed by MS-DIAL, leading to improved identification in subsequent targeted analysis. The target matching algorithm, based on specific lipid cleavage patterns, demonstrated enhanced identification of PUFA lipids compared to the lipid annotations provided by MS-DIAL and GNPS. The approach was applied to identify PUFA lipids in various milk samples, resulting in the detection of a total of 115 PUFA lipids. The results revealed distinct differences in PUFA lipids among different samples, with 44 PUFA lipids significantly contributing to these differences. Our study indicated that SpecLipIDA is an efficient method for rapidly and specifically screening PUFA lipids. © 2024 The Royal Society of Chemistry. |
| first_indexed | 2025-11-15T13:51:07Z |
| format | Article |
| id | upm-105695 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-15T13:51:07Z |
| publishDate | 2024 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-1056952024-02-15T03:24:30Z http://psasir.upm.edu.my/id/eprint/105695/ SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk Lei, Jingnan He, Yuan Zhu, Shuang Shi, Jiachen Tan, Chin-Ping Liu, Yuanfa Xu, Yong-Jiang Polyunsaturated fatty acids (PUFAs), such as arachidonic acid (ARA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA), play an important role in the nutritional value of milk lipids. However, a comprehensive analysis of PUFAs and their esters in milk is still scarce. In this study, we developed a novel pseudotargeted lipidomics approach, named SpecLipIDA, for determining PUFA lipids in milk. Triglycerides (TGs) and phospholipids (PLs) were separated using NH2 cartridges, and mass spectrometry data in the information-dependent acquisition (IDA) mode were preprocessed by MS-DIAL, leading to improved identification in subsequent targeted analysis. The target matching algorithm, based on specific lipid cleavage patterns, demonstrated enhanced identification of PUFA lipids compared to the lipid annotations provided by MS-DIAL and GNPS. The approach was applied to identify PUFA lipids in various milk samples, resulting in the detection of a total of 115 PUFA lipids. The results revealed distinct differences in PUFA lipids among different samples, with 44 PUFA lipids significantly contributing to these differences. Our study indicated that SpecLipIDA is an efficient method for rapidly and specifically screening PUFA lipids. © 2024 The Royal Society of Chemistry. Royal Society of Chemistry 2024 Article PeerReviewed Lei, Jingnan and He, Yuan and Zhu, Shuang and Shi, Jiachen and Tan, Chin-Ping and Liu, Yuanfa and Xu, Yong-Jiang (2024) SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk. Analyst, 149 (3). pp. 751-760. ISSN 0003-2654; ESSN: 1364-5528 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85182355870&doi=10.1039%2fd3an01536j&partnerID=40&md5=22109f0ed7bd75bdb23cc47d6845d2e5 10.1039/d3an01536j |
| spellingShingle | Lei, Jingnan He, Yuan Zhu, Shuang Shi, Jiachen Tan, Chin-Ping Liu, Yuanfa Xu, Yong-Jiang SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk |
| title | SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk |
| title_full | SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk |
| title_fullStr | SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk |
| title_full_unstemmed | SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk |
| title_short | SpecLipIDA: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk |
| title_sort | speclipida: a pseudotargeted lipidomics approach for polyunsaturated fatty acids in milk |
| url | http://psasir.upm.edu.my/id/eprint/105695/ http://psasir.upm.edu.my/id/eprint/105695/ http://psasir.upm.edu.my/id/eprint/105695/ |