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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Application of density functional theory(DFT), spin trapping Electron Spin Resonance(ESR) and Nuclear Magnetic Resonance(NMR) to study the properties and degradation path of Xenoestrogens in wastewaters

2013/11/D/NZ7/02346

Keywords:

ESR NMR ANN DFT

Descriptors:

  • NZ7_2: Environment and health risks
  • ST4_3: Molecular architecture and structure
  • ST6_12: Scientific computing, simulation and modelling tools

Panel:

NZ7 - Diagnostic tools, therapies and public health: public health, epidemiology, environmental health risks and occupational medicine, medical ethics, drug discovery and therapies, pharmacology

Host institution :

Warszawski Uniwersytet Medyczny, Wydział Farmaceutyczny z Oddziałem Medycyny Laboratoryjnej

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Katerina Makarova 

Number of co-investigators in the project: 6

Call: SONATA 6 - announced on 2013-09-16

Amount awarded: 510 160 PLN

Project start date (Y-m-d): 2014-07-10

Project end date (Y-m-d): 2019-06-09

Project duration:: 59 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Komputer typu PC (6 000 PLN)
  2. Matlab R2013 (12 000 PLN)
  3. Modernizacja Spektrometru EPR.
  4. Origin 9 (2 szt.) (10 000 PLN)
  5. Pakiet programów Gaussian 09 i GaussView (5 000 PLN)
  6. Przystawka do analizy multiharmonicznej eSPECT+ (Novilet) (38 100 PLN)
  7. Przystawka temperaturowa do spektrometru EPR (minimalny zakres temperatur 250-450 K) (80 000 PLN)
  8. Sonda dwukanałowa (typ BL-4 Double) do eksperymentów w ciele stałym. (90 000 PLN)
  9. Sprężarka do spektrometru NMR.
  10. Zestaw Reactive Oxygen Species (ROS) do spektrometru EPR (10 000 PLN)
  11. Przystawka stopped flow" (wstrzymanego przepływu) (20 000 PLN)

Information in the final report

  • Publication in academic press/journals (3)
  • Articles in post-conference publications (11)
  1. Harvest time affects antioxidant capacity, total polyphenol and flavonoid content of Polish St John's wort's (Hypericum perforatum L.) flowers
    Authors:
    Katerina Makarova, Joanna J. Sajkowska-Kozielewicz, Katarzyna Zawada, Ewa Olchowik-Grabarek, Michał Aleksander Ciach, Krzysztof Gogolewski, Natalia Dobros, Paulina Ciechowicz, Hélène Freichels & Anna Gambin
    Academic press:
    Scientific Reports (rok: 2021, tom: 11, strony: 3989), Wydawca: Nature
    Status:
    Published
    DOI:
    10.1038/s41598-021-83409-4 - link to the publication
  2. Screening of toxic effects of bisphenol A (BPA) and products of its degradation: Zebrafish (Danio Rerio) embryo test and molecular docking
    Authors:
    Katerina Makarova*, Pawel Siudem, Katarzyna Zawada, Justyna Kurkowiak
    Academic press:
    Zebrafish Special Issue on Toxicology (rok: 2016, tom: 13(5), strony: 466-74), Wydawca: Mary Ann Liebert, Inc.
    Status:
    Published
    DOI:
    10.1089/zeb.2016.1261 - link to the publication
  3. Comparative analysis of BPA and HQ toxic impacts on human erythrocytes, protective effect mechanism of tannins (Rhus typhina)
    Authors:
    Ewa Olchowik-GrabarekKaterina MakarovaSaidmukhtar MavlyanovNodira AbdullajanovaMaria Zamaraeva
    Academic press:
    Environmental Science and Pollution Research (rok: 2018, tom: 25 (2), strony: 1200-1209), Wydawca: Springer Berlin Heidelberg
    Status:
    Published
    DOI:
    10.1007/s11356-017-0520-2 - link to the publication
  1. A neural network approach to the rapid analysis of the kinetics of FDMPO and POBN spin adducts formation from fast isotropic ESR spectra
    Authors:
    Makarova K1, Zawada K1
    Conference:
    X International worshop on EPR in Biology and Medicine (rok: 2016, ), Wydawca: Krakow
    Data:
    konferencja 2-6 October
    Status:
    Published
  2. Optimization of peracetic acid homolysis for the degradation of atrazine and bisphenol with spin trap EPR
    Authors:
    Katerina Makarova, Katarzyna Zawada
    Conference:
    V Forum EMR (rok: 2018, ), Wydawca: Wydział Chemii Uniwersytet Wrocławski
    Data:
    konferencja 05-08.06
    Status:
    Published
  3. Use of peracetic acid homolysis for the degradation of atrazine: spin trap ESR and DFT calculations
    Authors:
    Katarzyna Zawada, Katerina Makarova
    Conference:
    EUROMAR 2016 • Aarhus • Denmark (rok: 2016, ), Wydawca: Euromar
    Data:
    konferencja July 3-7
    Status:
    Published
    DOI:
    link to the publication
  4. Toxic effects of bisphenol (BPA) and products of its degradation on development of zebrafish (Danio Rerio) embryo
    Authors:
    Pawel Suidem, Katerina Makarova, Katarzyna Zawada
    Conference:
    Fishmed 2016 (rok: 2016, ), Wydawca: Fishmed
    Data:
    konferencja 18-19 Marca
    Status:
    Published
  5. Toxicity of atrazine and selected products of its degradation
    Authors:
    K. Zawada , K. Makarova , M. Gral , P. Siudem
    Conference:
    10th European Zebrafish Meeting (rok: 2017, ), Wydawca: European Zebrafish Meeting
    Data:
    konferencja 3-7 July
    Status:
    Published
    DOI:
    link to the publication
  6. Zastosowanie metod spektroskopowych w analizie atrazyny i powstałych na drodze rozpadu jej metabolitów
    Authors:
    Marta Adamowicz, Katerina Makarova, Katarzyna Zawada, Katarzyna Paradowska
    Conference:
    IV Zielarska Konferencja Kobiet, Koryciny (rok: 2015, ), Wydawca: WUM
    Data:
    konferencja 22-24 May
    Status:
    Published
  7. Products of bisphenol A degradation: DFT, EPR and cytotoxicity in human erythrocytes (in vitro) studies
    Authors:
    Katerina Makarova, Ewa Olchowik-Grabarek, Katarzyna Zawada, Justyna Kurkowiak, DominkaLaszczyca
    Conference:
    Euromar 2017 (rok: 2017, ), Wydawca: EUROMAR 2017 - WARSAW, POLAND
    Data:
    konferencja 2-6 July
    Status:
    Published
    DOI:
    link to the publication
  8. Molecular docking and Danio rerio embryo studies of the endosulfat and its products toxicity
    Authors:
    Katerina Makarova, Katarzyna Zawada, Pawel Siudem, Sylwia Klapiec
    Conference:
    Fishmed 2018 (rok: 2018, ), Wydawca: Fishmed 2018
    Data:
    konferencja 25-27 March
    Status:
    Accepted for publication
    DOI:
    link to the publication
  9. Badania strukturalne i właściwości Bisfenolu A oraz jego metabolitów zastosowaniem metod spektroskopowych i in silico
    Authors:
    Dominika Łaszczyca Katerina Makarova, Katarzyna Zawada, Katarzyna Paradowska
    Conference:
    IV Zielarska Konferencja Kobiet, Koryciny (rok: 2015, ), Wydawca: WUM
    Data:
    konferencja 22-24 May
    Status:
    Published
  10. Monitoring of bisphenol A degradation by MnO2/peracetic acid system with spin trap ESR
    Authors:
    Katerina Makarova, Katarzyna Zawada
    Conference:
    EUROMAR 2016 • Aarhus • Denmark (rok: 2016, ), Wydawca: Euromar
    Data:
    konferencja July 3-7
    Status:
    Published
    DOI:
    link to the publication
  11. In vivo and in silico toxicity of atrazine and selected products of its degradation
    Authors:
    M. Gral, K. Makarova, K.Zawada, P. Siudem
    Conference:
    Fishmed 2018 (rok: 2018, ), Wydawca: Fishmed
    Data:
    konferencja 25-27 March
    Status:
    Accepted for publication
    DOI:
    link to the publication

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