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Pregled bibliografske jedinice broj: 875599

Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water


Merunka, Dalibor; Perić, Miroslav
Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 121 (2017), 20; 5259-5272 doi:10.1021/acs.jpcb.7b02550 (međunarodna recenzija, članak, znanstveni)


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Naslov
Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water

Autori
Merunka, Dalibor ; Perić, Miroslav

Izvornik
The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical (1520-6106) 121 (2017), 20; 5259-5272

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
nitroxide radicals ; Heisenberg spin exchange interaction ; dipole-dipole interaction ; continuous diffusion model ; diffusion coefficient ; supercooled liquids

Sažetak
Electron paramagnetic resonance (EPR) spectra of radicals in solution depend on their relative motion, which modulates the Heisenberg spin exchange and dipole-dipole interactions between them. To gain information on radical diffusion from EPR spectra demands both reliable spectral fitting to find the concentration coefficients of EPR parameters and valid expressions between the concentration and diffusion coefficients. Here, we measured EPR spectra of the 14N- and 15N-labeled perdeuterated TEMPONE radicals in normal and supercooled water at various concentrations. By fitting the EPR spectra to the functions based on the modified Bloch equations, we obtained the concentration coefficients for the spin dephasing, coherence transfer, and hyperfine splitting parameters. Assuming the continuous diffusion model for radical motion, the diffusion coefficients of radicals were calculated from the concentration coefficients using the standard relations and the relations derived from the kinetic equations for the spin evolution of a radical pair. The latter relations give better agreement between the diffusion coefficients calculated from different concentration coefficients. The diffusion coefficients are similar for both radicals, which supports the presented method. They decrease with lowering temperature slower than is predicted by the Stokes-Einstein relation and slower than the rotational diffusion coefficients, which is similar to the diffusion of water molecules in supercooled water.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekti:
NIH-SC3GM099635
HRZZ-IP-2013-11-1108 - Karakterizacija niskotemperaturne molekulske dinamike sustava s neuređenom rešetkom metodom ESR (DESiRe) (Ilakovac Kveder, Marina, HRZZ - 2013-11) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Miroslav Perić (autor)

Avatar Url Dalibor Merunka (autor)

Poveznice na cjeloviti tekst rada:

doi pubs.acs.org pubs.acs.org

Citiraj ovu publikaciju:

Merunka, Dalibor; Perić, Miroslav
Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 121 (2017), 20; 5259-5272 doi:10.1021/acs.jpcb.7b02550 (međunarodna recenzija, članak, znanstveni)
Merunka, D. & Perić, M. (2017) Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 121 (20), 5259-5272 doi:10.1021/acs.jpcb.7b02550.
@article{article, author = {Merunka, Dalibor and Peri\'{c}, Miroslav}, year = {2017}, pages = {5259-5272}, DOI = {10.1021/acs.jpcb.7b02550}, keywords = {nitroxide radicals, Heisenberg spin exchange interaction, dipole-dipole interaction, continuous diffusion model, diffusion coefficient, supercooled liquids}, journal = {The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces and biophysical}, doi = {10.1021/acs.jpcb.7b02550}, volume = {121}, number = {20}, issn = {1520-6106}, title = {Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water}, keyword = {nitroxide radicals, Heisenberg spin exchange interaction, dipole-dipole interaction, continuous diffusion model, diffusion coefficient, supercooled liquids} }
@article{article, author = {Merunka, Dalibor and Peri\'{c}, Miroslav}, year = {2017}, pages = {5259-5272}, DOI = {10.1021/acs.jpcb.7b02550}, keywords = {nitroxide radicals, Heisenberg spin exchange interaction, dipole-dipole interaction, continuous diffusion model, diffusion coefficient, supercooled liquids}, journal = {The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces and biophysical}, doi = {10.1021/acs.jpcb.7b02550}, volume = {121}, number = {20}, issn = {1520-6106}, title = {Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water}, keyword = {nitroxide radicals, Heisenberg spin exchange interaction, dipole-dipole interaction, continuous diffusion model, diffusion coefficient, supercooled liquids} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


Citati:





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