Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids
In this contribution the dissociative electron attachment to metabolites found in aerobic organisms, namely oxaloacetic and citric acids, was studied both experimentally by means of a crossed-beam setup and theoretically through density functional theory calculations. Prominent negative ion resonanc...
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MDPI AG
2021-07-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/22/14/7676 |
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| author | Janina Kopyra Paulina Wierzbicka Adrian Tulwin Guillaume Thiam Ilko Bald Franck Rabilloud Hassan Abdoul-Carime |
| author_facet | Janina Kopyra Paulina Wierzbicka Adrian Tulwin Guillaume Thiam Ilko Bald Franck Rabilloud Hassan Abdoul-Carime |
| author_sort | Janina Kopyra |
| collection | DOAJ |
| description | In this contribution the dissociative electron attachment to metabolites found in aerobic organisms, namely oxaloacetic and citric acids, was studied both experimentally by means of a crossed-beam setup and theoretically through density functional theory calculations. Prominent negative ion resonances from both compounds are observed peaking below 0.5 eV resulting in intense formation of fragment anions associated with a decomposition of the carboxyl groups. In addition, resonances at higher energies (3–9 eV) are observed exclusively from the decomposition of the oxaloacetic acid. These fragments are generated with considerably smaller intensities. The striking findings of our calculations indicate the different mechanism by which the near 0 eV electron is trapped by the precursor molecule to form the transitory negative ion prior to dissociation. For the oxaloacetic acid, the transitory anion arises from the capture of the electron directly into some valence states, while, for the citric acid, dipole- or multipole-bound states mediate the transition into the valence states. What is also of high importance is that both compounds while undergoing DEA reactions generate highly reactive neutral species that can lead to severe cell damage in a biological environment. |
| first_indexed | 2024-03-10T09:36:09Z |
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| id | doaj.art-4212e2a63fc34f459d1e3c2be51ec98f |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-10T09:36:09Z |
| publishDate | 2021-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-4212e2a63fc34f459d1e3c2be51ec98f2023-11-22T04:02:26ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672021-07-012214767610.3390/ijms22147676Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric AcidsJanina Kopyra0Paulina Wierzbicka1Adrian Tulwin2Guillaume Thiam3Ilko Bald4Franck Rabilloud5Hassan Abdoul-Carime6Faculty of Exact and Natural Sciences, Siedlce University of Natural Sciences and Humanities, 3 Maja 54, 08-110 Siedlce, PolandFaculty of Exact and Natural Sciences, Siedlce University of Natural Sciences and Humanities, 3 Maja 54, 08-110 Siedlce, PolandFaculty of Exact and Natural Sciences, Siedlce University of Natural Sciences and Humanities, 3 Maja 54, 08-110 Siedlce, PolandUniversité de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, UMR5306, F-69622 Villeurbanne, FranceInstitute of Chemistry, University of Potsdam, Karl-Liebknecht-Str. 24-25, 14476 Potsdam, GermanyUniversité de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, UMR5306, F-69622 Villeurbanne, FranceInstitut de Physique des 2 Infinis, Université Lyon 1, Université de Lyon, CNRS/IN2P3, UMR5822, F-69003 Lyon, FranceIn this contribution the dissociative electron attachment to metabolites found in aerobic organisms, namely oxaloacetic and citric acids, was studied both experimentally by means of a crossed-beam setup and theoretically through density functional theory calculations. Prominent negative ion resonances from both compounds are observed peaking below 0.5 eV resulting in intense formation of fragment anions associated with a decomposition of the carboxyl groups. In addition, resonances at higher energies (3–9 eV) are observed exclusively from the decomposition of the oxaloacetic acid. These fragments are generated with considerably smaller intensities. The striking findings of our calculations indicate the different mechanism by which the near 0 eV electron is trapped by the precursor molecule to form the transitory negative ion prior to dissociation. For the oxaloacetic acid, the transitory anion arises from the capture of the electron directly into some valence states, while, for the citric acid, dipole- or multipole-bound states mediate the transition into the valence states. What is also of high importance is that both compounds while undergoing DEA reactions generate highly reactive neutral species that can lead to severe cell damage in a biological environment.https://www.mdpi.com/1422-0067/22/14/7676dissociative electron attachmentnegative ionsoxaloacetic acidcitric acidmass spectrometry |
| spellingShingle | Janina Kopyra Paulina Wierzbicka Adrian Tulwin Guillaume Thiam Ilko Bald Franck Rabilloud Hassan Abdoul-Carime Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids International Journal of Molecular Sciences dissociative electron attachment negative ions oxaloacetic acid citric acid mass spectrometry |
| title | Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids |
| title_full | Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids |
| title_fullStr | Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids |
| title_full_unstemmed | Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids |
| title_short | Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids |
| title_sort | experimental and theoretical studies of dissociative electron attachment to metabolites oxaloacetic and citric acids |
| topic | dissociative electron attachment negative ions oxaloacetic acid citric acid mass spectrometry |
| url | https://www.mdpi.com/1422-0067/22/14/7676 |
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