TY  - GEN
A1  - Kopyra, Janina
A1  - Wierzbicka, Paulina
A1  - Tulwin, Adrian
A1  - Thiam, Guillaume
A1  - Bald, Ilko
A1  - Rabilloud, Franck
A1  - Abdoul-Carime, Hassan
T1  - Experimental and theoretical studies of dissociative electron attachment to metabolites oxaloacetic and citric acids
T2  - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe
N2  - 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.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1156 
KW  - dissociative electron attachment
KW  - negative ions
KW  - oxaloacetic acid
KW  - citric acid
KW  - mass spectrometry
Y1  - 2021
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-521829
SN  - 1866-8372
IS  - 1156
ER  - 
TY  - JOUR
A1  - Kopyra, Janina
A1  - Wierzbicka, Paulina
A1  - Tulwin, Adrian
A1  - Thiam, Guillaume
A1  - Bald, Ilko
A1  - Rabilloud, Franck
A1  - Abdoul-Carime, Hassan
T1  - Experimental and theoretical studies of dissociative electron attachment to metabolites oxaloacetic and citric acids
JF  - International Journal of Molecular Sciences (IJMS)
N2  - 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.
KW  - dissociative electron attachment
KW  - negative ions
KW  - oxaloacetic acid
KW  - citric acid
KW  - mass spectrometry
Y1  - 2021
U6  - https://doi.org/10.3390/ijms22147676
SN  - 1422-0067
VL  - 22
IS  - 14
PB  - MDPI
CY  - Basel
ER  -