Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap Platforms
Nitrated phospholipids have recently been detected <i>in vitro</i> and <i>in vivo</i> and associated with beneficial health effects. They were identified and quantified in biological samples by lipidomics methodologies using liquid chromatography-collision-induced dissociatio...
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MDPI AG
2020-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/9/2120 |
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| author | Bruna Neves Sofia Duarte Pedro Domingues Dolores Pérez-Sala Maria Manuel Oliveira Maria do Rosário Domingues Tânia Melo |
| author_facet | Bruna Neves Sofia Duarte Pedro Domingues Dolores Pérez-Sala Maria Manuel Oliveira Maria do Rosário Domingues Tânia Melo |
| author_sort | Bruna Neves |
| collection | DOAJ |
| description | Nitrated phospholipids have recently been detected <i>in vitro</i> and <i>in vivo</i> and associated with beneficial health effects. They were identified and quantified in biological samples by lipidomics methodologies using liquid chromatography-collision-induced dissociation (CID) tandem mass spectrometry (MS/MS) acquired with the linear ion trap mass spectrometer. Only a few studies have used higher-energy collision dissociation (HCD)-MS/MS in high-resolution Orbitraps to characterize nitrated phosphatidylserines and nitrated cardiolipins, highlighting the marked differences in the fragmentation patterns when using CID or HCD fragmentation methods. In this study, we aimed to evaluate the fragmentation of nitrated phosphatidylcholine and nitrated phosphatidylethanolamine species under HCD-MS/MS. We studied the effect of normalized collision energy (NCE) in the fragmentation pattern to identify the best acquisition conditions and reporter ions to detect nitrated phospholipids. The results showed that the intensity of the typical neutral loss of nitrous acid (HNO<sub>2</sub>) diminishes with increasing NCE, becoming non-detectable for a higher NCE. Thus, the loss of HNO<sub>2</sub> could not be the most suitable ion/fragment for the characterization of nitrated phospholipids under HCD. In HCD-MS/MS new fragment ions were identified, corresponding to the nitrated fatty acyl chains, NO<sub>2</sub>-RCOO<sup>−</sup>, (NO<sub>2</sub>-RCOOH-H<sub>2</sub>O + H)<sup>+</sup>, and (NO<sub>2</sub>-RCOOH + H)<sup>+</sup>, suggested as potential reporter ions to detect nitrated phospholipids when using the HCD-MS/MS lipidomics analysis. |
| first_indexed | 2024-03-10T20:07:02Z |
| format | Article |
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| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T20:07:02Z |
| publishDate | 2020-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-f7fb8f8a8a2841b09f0fcea31eded97a2023-11-19T23:15:15ZengMDPI AGMolecules1420-30492020-05-01259212010.3390/molecules25092120Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap PlatformsBruna Neves0Sofia Duarte1Pedro Domingues2Dolores Pérez-Sala3Maria Manuel Oliveira4Maria do Rosário Domingues5Tânia Melo6Mass Spectrometry Centre, LAQV-REQUIMTE, Department of Chemistry, University of Aveiro, Santiago University Campus, 3810-193 Aveiro, PortugalDepartment of Structural and Chemical Biology, Centro de Investigaciones Biológicas Margarita Salas, CSIC, 28040 Madrid, SpainMass Spectrometry Centre, LAQV-REQUIMTE, Department of Chemistry, University of Aveiro, Santiago University Campus, 3810-193 Aveiro, PortugalDepartment of Structural and Chemical Biology, Centro de Investigaciones Biológicas Margarita Salas, CSIC, 28040 Madrid, SpainDepartment of Chemistry, University of Trás-os-Montes e Alto Douro, 5000-801 Vila Real, PortugalMass Spectrometry Centre, LAQV-REQUIMTE, Department of Chemistry, University of Aveiro, Santiago University Campus, 3810-193 Aveiro, PortugalMass Spectrometry Centre, LAQV-REQUIMTE, Department of Chemistry, University of Aveiro, Santiago University Campus, 3810-193 Aveiro, PortugalNitrated phospholipids have recently been detected <i>in vitro</i> and <i>in vivo</i> and associated with beneficial health effects. They were identified and quantified in biological samples by lipidomics methodologies using liquid chromatography-collision-induced dissociation (CID) tandem mass spectrometry (MS/MS) acquired with the linear ion trap mass spectrometer. Only a few studies have used higher-energy collision dissociation (HCD)-MS/MS in high-resolution Orbitraps to characterize nitrated phosphatidylserines and nitrated cardiolipins, highlighting the marked differences in the fragmentation patterns when using CID or HCD fragmentation methods. In this study, we aimed to evaluate the fragmentation of nitrated phosphatidylcholine and nitrated phosphatidylethanolamine species under HCD-MS/MS. We studied the effect of normalized collision energy (NCE) in the fragmentation pattern to identify the best acquisition conditions and reporter ions to detect nitrated phospholipids. The results showed that the intensity of the typical neutral loss of nitrous acid (HNO<sub>2</sub>) diminishes with increasing NCE, becoming non-detectable for a higher NCE. Thus, the loss of HNO<sub>2</sub> could not be the most suitable ion/fragment for the characterization of nitrated phospholipids under HCD. In HCD-MS/MS new fragment ions were identified, corresponding to the nitrated fatty acyl chains, NO<sub>2</sub>-RCOO<sup>−</sup>, (NO<sub>2</sub>-RCOOH-H<sub>2</sub>O + H)<sup>+</sup>, and (NO<sub>2</sub>-RCOOH + H)<sup>+</sup>, suggested as potential reporter ions to detect nitrated phospholipids when using the HCD-MS/MS lipidomics analysis.https://www.mdpi.com/1420-3049/25/9/2120lipidomicsphospholipidsnitrationtandem mass spectrometryhigher collision-induced dissociation (HCD) |
| spellingShingle | Bruna Neves Sofia Duarte Pedro Domingues Dolores Pérez-Sala Maria Manuel Oliveira Maria do Rosário Domingues Tânia Melo Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap Platforms Molecules lipidomics phospholipids nitration tandem mass spectrometry higher collision-induced dissociation (HCD) |
| title | Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap Platforms |
| title_full | Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap Platforms |
| title_fullStr | Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap Platforms |
| title_full_unstemmed | Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap Platforms |
| title_short | Advancing Target Identification of Nitrated Phospholipids in Biological Systems by HCD Specific Fragmentation Fingerprinting in Orbitrap Platforms |
| title_sort | advancing target identification of nitrated phospholipids in biological systems by hcd specific fragmentation fingerprinting in orbitrap platforms |
| topic | lipidomics phospholipids nitration tandem mass spectrometry higher collision-induced dissociation (HCD) |
| url | https://www.mdpi.com/1420-3049/25/9/2120 |
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