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ENDOR-induced EPR of disordered systems : application to X-irradiated alanine

Jevgenij Kusakovskij (UGent) , Kwinten Maes (UGent) , Freddy Callens (UGent) and Henk Vrielinck (UGent)
(2018) JOURNAL OF PHYSICAL CHEMISTRY A. 122(6). p.1756-1763
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Abstract
The electron paramagnetic resonance (EPR) spectra of radiation-induced radicals in organic solids are generally composed of multiple components that largely overlap due to their similar weak g anisotropy and a large number of hyperfine (HF) interactions. Such properties make these systems difficult to study using standard cw EPR spectroscopy even in single crystals. Electron nuclear double-resonance (ENDOR) spectroscopy is a powerful and widely used complementary technique. In particular, ENDOR-induced EPR (EIE) experiments are useful for separating the overlapping contributions. In the present work, these techniques were employed to study the EPR spectrum of stable radicals in X-irradiated alanine, which is widely used in dosimetric applications. The principal values of all major proton HF interactions of the dominant radicals were determined by analyzing the magnetic field dependence of the ENDOR spectrum at 50 K, where the rotation of methyl groups is frozen. Accurate simulations of the EPR spectrum were performed after the major components were separated using an EIE analysis. As a result, new evidence in favor of the model of the second dominant radical was obtained.
Keywords
ELECTRON-SPIN-RESONANCE, L-ALPHA-ALANINE, DENSITY-FUNCTIONAL CALCULATIONS, HYPERFINE COUPLING-CONSTANTS, SINGLE-CRYSTALS, SOLID-STATE, 2D-HYSCORE SPECTROSCOPY, RADIATION-CHEMISTRY, PERIODIC DFT, L-ASPARAGINE

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MLA
Kusakovskij, Jevgenij et al. “ENDOR-induced EPR of Disordered Systems : Application to X-irradiated Alanine.” JOURNAL OF PHYSICAL CHEMISTRY A 122.6 (2018): 1756–1763. Print.
APA
Kusakovskij, J., Maes, K., Callens, F., & Vrielinck, H. (2018). ENDOR-induced EPR of disordered systems : application to X-irradiated alanine. JOURNAL OF PHYSICAL CHEMISTRY A, 122(6), 1756–1763.
Chicago author-date
Kusakovskij, Jevgenij, Kwinten Maes, Freddy Callens, and Henk Vrielinck. 2018. “ENDOR-induced EPR of Disordered Systems : Application to X-irradiated Alanine.” Journal of Physical Chemistry A 122 (6): 1756–1763.
Chicago author-date (all authors)
Kusakovskij, Jevgenij, Kwinten Maes, Freddy Callens, and Henk Vrielinck. 2018. “ENDOR-induced EPR of Disordered Systems : Application to X-irradiated Alanine.” Journal of Physical Chemistry A 122 (6): 1756–1763.
Vancouver
1.
Kusakovskij J, Maes K, Callens F, Vrielinck H. ENDOR-induced EPR of disordered systems : application to X-irradiated alanine. JOURNAL OF PHYSICAL CHEMISTRY A. 2018;122(6):1756–63.
IEEE
[1]
J. Kusakovskij, K. Maes, F. Callens, and H. Vrielinck, “ENDOR-induced EPR of disordered systems : application to X-irradiated alanine,” JOURNAL OF PHYSICAL CHEMISTRY A, vol. 122, no. 6, pp. 1756–1763, 2018.
@article{8548366,
  abstract     = {The electron paramagnetic resonance (EPR) spectra of radiation-induced radicals in organic solids are generally composed of multiple components that largely overlap due to their similar weak g anisotropy and a large number of hyperfine (HF) interactions. Such properties make these systems difficult to study using standard cw EPR spectroscopy even in single crystals. Electron nuclear double-resonance (ENDOR) spectroscopy is a powerful and widely used complementary technique. In particular, ENDOR-induced EPR (EIE) experiments are useful for separating the overlapping contributions. In the present work, these techniques were employed to study the EPR spectrum of stable radicals in X-irradiated alanine, which is widely used in dosimetric applications. The principal values of all major proton HF interactions of the dominant radicals were determined by analyzing the magnetic field dependence of the ENDOR spectrum at 50 K, where the rotation of methyl groups is frozen. Accurate simulations of the EPR spectrum were performed after the major components were separated using an EIE analysis. As a result, new evidence in favor of the model of the second dominant radical was obtained.},
  author       = {Kusakovskij, Jevgenij and Maes, Kwinten and Callens, Freddy and Vrielinck, Henk},
  issn         = {1089-5639},
  journal      = {JOURNAL OF PHYSICAL CHEMISTRY A},
  keywords     = {ELECTRON-SPIN-RESONANCE,L-ALPHA-ALANINE,DENSITY-FUNCTIONAL CALCULATIONS,HYPERFINE COUPLING-CONSTANTS,SINGLE-CRYSTALS,SOLID-STATE,2D-HYSCORE SPECTROSCOPY,RADIATION-CHEMISTRY,PERIODIC DFT,L-ASPARAGINE},
  language     = {eng},
  number       = {6},
  pages        = {1756--1763},
  title        = {ENDOR-induced EPR of disordered systems : application to X-irradiated alanine},
  url          = {http://dx.doi.org/10.1021/acs.jpca.7b11804},
  volume       = {122},
  year         = {2018},
}

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