Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Free radicals and their interacion with metal ions: biological systems and potential magnetic materials

2011/03/B/ST5/01742

Keywords:

EPR ESR DFT ab inition radicalsi metal complexes magnetic materials biologicals

Descriptors:

  • ST4_3: Molecular architecture and structure
  • ST4_15: Colloid chemistry
  • ST5_1: Structural properties of materials

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Uniwersytet Wrocławski, Wydział Chemii

woj. dolnośląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Julia Jezierska 

Number of co-investigators in the project: 4

Call: OPUS 2 - announced on 2011-09-15

Amount awarded: 528 000 PLN

Project start date (Y-m-d): 2012-08-29

Project end date (Y-m-d): 2015-12-28

Project duration:: 40 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. ogniwo elektrolityczne do wnęki EPR (17 000 PLN)
  2. mieszadło (3 837 PLN)
  3. przystawka temperaturowa do EPR Elexsys (110 000 PLN)
  4. komputer + ultrabook (11 159 PLN)
  5. Wydajne notebooki i oprogramowanie naukowe (program MATLAb) (3 szt.) (30 000 PLN)
  6. wydajny serwer obliczeniowy (20 000 PLN)

Information in the final report

  • Publication in academic press/journals (6)
  1. Theoretical characterisation of phosphinyl radicals and their magnetic properties:g matrix.
    Authors:
    Maciej Witwicki
    Academic press:
    ChemPhysChem (rok: 2015, tom: 16, strony: 1912-1925), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/cphc.201500121 - link to the publication
  2. Toward an understanding of the ambiguous electron paramagnetic resonance spectra of the iminoxy radical from ofluorobenzaldehyde oxime: density functional theory and ab initio studies.
    Authors:
    Maciej Witwicki, Julia Jezierska
    Academic press:
    J. Phys. Chem. A. (rok: 2015, tom: 119, strony: 9109-9120), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.5b06143 - link to the publication
  3. Understanding natural semiquinone radicals–multifrequency EPR and relativistic DFT studies of the structure of Hg(II) complexes
    Authors:
    Witwicki Maciej, Jerzykiewicz Maria, Ozarowski Andrzej
    Academic press:
    Chemosphere (rok: 2015, tom: 119, strony: 479-484), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemosphere.2014.07.047 - link to the publication
  4. pH-dependent formation of Hg(II)-semiquinone complexes from natural phenols
    Authors:
    Jerzykiewicz Maria, Witwicki Maciej, Jezierska Julia
    Academic press:
    Chemosphere (rok: 2015, tom: 138, strony: 233-238), Wydawca: Elseviere
    Status:
    Published
    DOI:
    10.1016/j.chemosphere.2015.06.006 - link to the publication
  5. DFT insight into o-semiquinone radicals and Ca2+ ion interaction: structure, g tensor, and stability.
    Authors:
    Maciej Witwicki, Julia Jezierska
    Academic press:
    Theor. Chem. Acc (rok: 2013, tom: 132, strony: 45304), Wydawca: springer
    Status:
    Published
    DOI:
    10.1007/s00214-013-1383-3 - link to the publication
  6. The effect of Hg(II) ions on the free radicals of humic substances and their model compounds.
    Authors:
    Maria Jerzykiewicz
    Academic press:
    Chemosphere (rok: 2013, tom: 92, strony: 445-450), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemosphere.2013.01.048 - link to the publication

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