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Fourth stable radical species in X-irradiated solid-state sucrose

Jevgenij Kusakovskij UGent, Ignacio Caretti, Sabine Van Doorslaer, Freddy Callens UGent and Henk Vrielinck UGent (2016) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 18(16). p.10983-10991
abstract
High-energy radiation produces radicals in crystalline sucrose. As such, sucrose is considered as a relevant model system for studying radiation damage to the sugar units of DNA. Many of these radicals are stable, detectable at room temperature with electron paramagnetic resonance (EPR) and their concentration is proportional to the absorbed dose in a considerable range. This makes sucrose also an interesting system for dosimetry. Dose assessment protocols rely on measurements of the total intensity of the EPR powder spectrum, so it is likely that they could be further improved if the composite nature of the spectrum was understood completely. Recently, it was shown that the three known stable radicals can only account for the central part of the spectrum and that features in the wings remain unidentified. In this work, we show, based on the analysis of the powder EPR patterns recorded at three microwave frequencies, that the contribution of one more species is sufficient to explain the entire spectrum. The determination of the spin Hamiltonian parameters is corroborated by a Q-band (34 GHz) single crystal electron-nuclear double resonance (ENDOR) analysis. The chemical structure of the fourth species is explored by analysis of the determined g and four 1H hyperfine (HF) tensors, and verified using density functional theory (DFT) calculations. The ENDOR spectrum of the largest HF interaction of the fourth species was exploited to isolate the radical's absorption-like EPR spectrum from a multicomponent powder pattern.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
ELECTRON MAGNETIC-RESONANCE, DENSITY-FUNCTIONAL THEORY, RADIATION-INDUCED DEFECTS, FRUCTOSE SINGLE-CRYSTALS, SPIN-RESONANCE, PARAMAGNETIC-RESONANCE, EPR, ENDOR, IDENTIFICATION, ABSORPTION
journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Phys. Chem. Chem. Phys.
volume
18
issue
16
pages
10983 - 10991
Web of Science type
Article
Web of Science id
000374786300038
JCR category
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
JCR impact factor
4.123 (2016)
JCR rank
6/35 (2016)
JCR quartile
1 (2016)
ISSN
1463-9076
DOI
10.1039/C6CP01118G
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
7177691
handle
http://hdl.handle.net/1854/LU-7177691
date created
2016-04-07 11:44:38
date last changed
2017-04-26 11:11:00
@article{7177691,
  abstract     = {High-energy radiation produces radicals in crystalline sucrose. As such, sucrose is considered as a relevant model system for studying radiation damage to the sugar units of DNA. Many of these radicals are stable, detectable at room temperature with electron paramagnetic resonance (EPR) and their concentration is proportional to the absorbed dose in a considerable range. This makes sucrose also an interesting system for dosimetry. Dose assessment protocols rely on measurements of the total intensity of the EPR powder spectrum, so it is likely that they could be further improved if the composite nature of the spectrum was understood completely. Recently, it was shown that the three known stable radicals can only account for the central part of the spectrum and that features in the wings remain unidentified. In this work, we show, based on the analysis of the powder EPR patterns recorded at three microwave frequencies, that the contribution of one more species is sufficient to explain the entire spectrum. The determination of the spin Hamiltonian parameters is corroborated by a Q-band (34 GHz) single crystal electron-nuclear double resonance (ENDOR) analysis. The chemical structure of the fourth species is explored by analysis of the determined g and four 1H hyperfine (HF) tensors, and verified using density functional theory (DFT) calculations. The ENDOR spectrum of the largest HF interaction of the fourth species was exploited to isolate the radical's absorption-like EPR spectrum from a multicomponent powder pattern.},
  author       = {Kusakovskij, Jevgenij and Caretti, Ignacio and Van Doorslaer, Sabine and Callens, Freddy and Vrielinck, Henk},
  issn         = {1463-9076},
  journal      = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
  keyword      = {ELECTRON MAGNETIC-RESONANCE,DENSITY-FUNCTIONAL THEORY,RADIATION-INDUCED DEFECTS,FRUCTOSE SINGLE-CRYSTALS,SPIN-RESONANCE,PARAMAGNETIC-RESONANCE,EPR,ENDOR,IDENTIFICATION,ABSORPTION},
  language     = {eng},
  number       = {16},
  pages        = {10983--10991},
  title        = {Fourth stable radical species in X-irradiated solid-state sucrose},
  url          = {http://dx.doi.org/10.1039/C6CP01118G},
  volume       = {18},
  year         = {2016},
}

Chicago
Kusakovskij, Jevgenij, Ignacio Caretti, Sabine Van Doorslaer, Freddy Callens, and Henk Vrielinck. 2016. “Fourth Stable Radical Species in X-irradiated Solid-state Sucrose.” Physical Chemistry Chemical Physics 18 (16): 10983–10991.
APA
Kusakovskij, J., Caretti, I., Van Doorslaer, S., Callens, F., & Vrielinck, H. (2016). Fourth stable radical species in X-irradiated solid-state sucrose. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(16), 10983–10991.
Vancouver
1.
Kusakovskij J, Caretti I, Van Doorslaer S, Callens F, Vrielinck H. Fourth stable radical species in X-irradiated solid-state sucrose. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2016;18(16):10983–91.
MLA
Kusakovskij, Jevgenij, Ignacio Caretti, Sabine Van Doorslaer, et al. “Fourth Stable Radical Species in X-irradiated Solid-state Sucrose.” PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.16 (2016): 10983–10991. Print.