Issue 31, 2010
From the journal:

Physical Chemistry Chemical Physics

On the identity of the radiation-induced stable alanine radical†

Ewald Pauwels,*a   Hendrik De Cooman,a   Michel Waroquier,a   Eli O. Holeb  and  Einar Sagstuenb  

* Corresponding authors

a Center for Molecular Modeling, Ghent University, Technologiepark 903, B-9052 Zwijnaarde, Belgium, QCMM-alliance Ghent-Brussels, Belgium
E-mail: ewald.pauwels@UGent.be

b Department of Physics, University of Oslo, P.O. Box 1048 Blindern, N-0316 Oslo, Norway

Abstract

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.

Graphical abstract: On the identity of the radiation-induced stable alanine radical

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Article information

DOI
https://doi.org/10.1039/C004380J
Article type
Communication
Submitted
17 Mar 2010
Accepted
27 May 2010
First published
18 Jun 2010

Phys. Chem. Chem. Phys., 2010,12, 8733-8736

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On the identity of the radiation-induced stable alanine radical

E. Pauwels, H. De Cooman, M. Waroquier, E. O. Hole and E. Sagstuen, Phys. Chem. Chem. Phys., 2010, 12, 8733 DOI: 10.1039/C004380J

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