Backbone and side-chain cleavages in Electron Detachment Dissociation (EDD)

Journal of Physical Chemistry A

Volumn 109, Issue 49, 2005, Pages 11332-11337

  Anusiewicz, Iwona ^a,b   Jasionowski, Marek ^b   Skurski, Piotr ^a,b   Simons, Jack ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF GDA SK   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DETACHMENT DISSOCIATION (EDD); FRAGMENTATION; GAS-PHASE RADICALS; MASS SPECTROSCOPY;

CARBOXYLIC ACIDS; CHEMICAL BONDS; DISSOCIATION; FREE RADICALS; NEGATIVE IONS; NITROGEN; SPECTROSCOPIC ANALYSIS;

ELECTRONIC STRUCTURE;

EID: 30544432599     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055018g     Document Type: Article

References (25)

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25. From the DFT-level data of Figure 3 it would appear that valine side-chain loss could also be competitive. However, as we noted earlier, substantial spin contamination was encountered in the valine case. The spin-projected PMP2 data also shown in Figure 3 would suggest (when compared with PMP2 data for the other side chains shown in Figures 4-6) that the energy profile for valine is likely more similar to those obtained for arginine and glutamic acid than for that for tyrosine. Thus, discounting the spincontaminated data, we believe the statement that only side-chain loss of tyrosine, with its radical delocalization ability, can compete with backbone cleavage.