On the identity of the radiation-induced stable alanine radical.
Using periodic DFT calculations, it is concluded that the stable radiation-induced alanine radical most probably is the result of reductive deamination and protonation of the detached amino group, yielding an NH(4)(+) ammonium ion and a negatively charged radical.
Pauwels
Ewald
E
Center for Molecular Modeling, Ghent University, Technologiepark 903, B-9052 Zwijnaarde, Belgium. ewald.pauwels@UGent.be
De Cooman
Hendrik
H
Waroquier
Michel
M
Hole
Eli O
EO
Sagstuen
Einar
E
D000409:Alanine / Q000737:chemistry*; D004578:Electron Spin Resonance Spectroscopy; D005609:Free Radicals / Q000737:chemistry*; D011522:Protons; D000644:Quaternary Ammonium Compounds / Q000737:chemistry; D011839:Radiation, Ionizing
D005609:Free Radicals; D011522:Protons; D000644:Quaternary Ammonium Compounds; D000409:Alanine