On the identity of the radiation-induced stable alanine radical

E. Pauwels, H. De Cooman, M. Waroquier, E.O. Hole, E. Sagstuen
Physical Chemistry Chemical Physics (PCCP)
12, 8733-8736


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 NH4+ ammonium ion and a negatively charged radical.