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At first glance, it looks like it could be
modeled by a partially reduced carboxylate (to aldehyde or
carbonyl radical). Is there any precedent for such a
radiation-induced photoelectron reduction? Like you, I only
remember seeing decarboxylations of Asp and Glu. To get an
aldehyde or carbonyl radical, it would seem you need an oxygen
acceptor in the crystal matrix: thiols, which can make thiyl
radicals could possibly act as oxygen or OH radical acceptors. J.
Phys. Chem. Lett. 2010, 19, 2898 suggests a mechanism by which
thiols can be oxidized to S-hydroxythiols under ionizing radiation
conditions. This is of course all speculation. :) _______________________________________ Roger S. Rowlett Gordon & Dorothy Kline Professor Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: [email protected] On 10/4/2011 3:16 PM, Mischa Machius wrote: Y'all, I have several instances of this feature afflicting some glutamates. The red blob is negative difference density. I assume it's a form of radiation damage, but it doesn't seem to be the typical decarboxylation type. I'd appreciate any suggestions as to what the damaged product could be and/or how to best model this feature.Thanks so much in advance. Cheers! MM |
