Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/4415
Title: Lineshape analysis of heme-protein-derived radicals based on simulation of EPR spectra
Authors: Pogni, Rebecca 
DELLA LUNGA, G
Busi, Elena 
Basosi, Riccardo 
Keywords: EPR; computer simulation; heme proteins; H2O2; spin trap
Issue Date: 1999
Project: None 
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Abstract: 
The reaction of heme proteins and H2O2 is thought to proceed viatwo-electron oxidation, resulting in the formation of ferryl heme FeIVsO., and aprotein radical. The ferryl-radical form of heme proteins would then catalyze theoxidation of molecules. Incubation of heme proteins with H2O2 in the presence ofmethyl-nitrosopropane MNP. resulted in the detection of electron paramagneticresonance EPR. spectra characteristic of a highly immobilized nitroxide. Lineshapes ofthe EPR spectra were consistent with a slow tumbling molecule as it is evident from thebroadening of the high field lines. This is consistent with the high molecular mass of theradical adduct. The goal of this work is, using a computer program based on thestochastic Liouville equation, to simulate directly these slow-motional EPR spectra andobtain information on magnetic and dynamic parameters of the complexes.
Description: 
36868
URI: http://hdl.handle.net/20.500.12779/4415
ISSN: 0020-7608
DOI: 10.1002/(SICI)1097-461X(1999)73:2<249
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