Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids

International Journal of Molecular Sciences

卷:22

Paulina Wierzbicka¹  Janina Kopyra¹  Adrian Tulwin¹  Hassan Abdoul-Carime²  Ilko Bald³  Guillaume Thiam⁴  Franck Rabilloud⁴ 

[1] Faculty of Exact and Natural Sciences, Siedlce University of Natural Sciences and Humanities, 3 Maja 54, 08-110 Siedlce, Poland;

[2] Institut de Physique des 2 Infinis, Université Lyon 1, Université de Lyon, CNRS/IN2P3, UMR5822, F-69003 Lyon, France;

[3] Institute of Chemistry, University of Potsdam, Karl-Liebknecht-Str. 24-25, 14476 Potsdam, Germany;

[4] Université de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, UMR5306, F-69622 Villeurbanne, France;

关键词: dissociative electron attachment;    negative ions;    oxaloacetic acid;    citric acid;    mass spectrometry;   

DOI  :  10.3390/ijms22147676

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown