PMID: 15222797Jun 30, 2004Paper

ENDOR-assisted study of the stable EPR spectrum of X-irradiated alpha-L-sorbose single crystals: MLCFA and simulation decomposition analyses

Radiation Research
G VanhaelewynE Sagstuen

Abstract

After X irradiation of single crystals of alpha-L-sorbose at 295 K, previous electron paramagnetic resonance (EPR), electron nuclear double resonance (ENDOR), and ENDOR-induced EPR (EI-EPR) results have indicated the formation of at least 10 different free radicals, and also that conceivably each carbon in the pyranose ring is a possible radical center. The radicals appear to be formed mostly by net H-abstraction reactions followed by standard elimination (e.g. beta-OH elimination) reactions or proton shifts, in turn leading to ring opening and fragmentation. In the present work, EPR spectra were recorded at room temperature with the external magnetic field along each of the three crystallographic axes subsequent to careful annealing at different temperatures using a high-temperature cavity. Each of the three sets of spectra was subjected to a maximum likelihood common factor analysis (MLCFA) that contributed to a better understanding of the spectral decays. Furthermore, the most stable spectra were simulated by optimization of previous ENDOR and EI-EPR results. The optimized EPR parameters resulted in excellent simulations of the experimental stable sorbose spectra and hence provided an improved insight of their spectral compo...Continue Reading

References

May 10, 1967·Acta Crystallographica·S H Kim, R D Rosenstein
Mar 22, 2000·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·G C VanhaelewynF J Callens
Jun 3, 2000·Applied Radiation and Isotopes : Including Data, Instrumentation and Methods for Use in Agriculture, Industry and Medicine·G VanhaelewynP Matthys
Jun 3, 2000·Applied Radiation and Isotopes : Including Data, Instrumentation and Methods for Use in Agriculture, Industry and Medicine·G VanhaelewynR Grün

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Citations

Sep 3, 2005·Radiation Research·Kouichi Nakagawa, Yukio Sato
Apr 22, 2014·Radiation Protection Dosimetry·Gauthier VanhaelewynFreddy Callens
Feb 10, 2006·The Journal of Physical Chemistry. a·Gauthier C A M VanhaelewynPaul F A E Matthys

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