Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

Chiral cores/monomers of drugs and conducting polymers: From calculations to experimental characteristics

2013/09/B/ST5/03664

Keywords:

chirality drugs-in-drugs chiral conductive polymers quantitative structure-activity relationships quantitative structure-property relationships,

Descriptors:

  • ST4_3: Molecular architecture and structure
  • ST5_21:
  • NZ7_14: Pharmacy, pharmacotherapy, pharmacology

Panel:

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

Host institution :

Instytut Chemii i Techniki Jądrowej

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Jan Dobrowolski 

Number of co-investigators in the project: 16

Call: OPUS 5 - announced on 2013-03-15

Amount awarded: 1 118 800 PLN

Project start date (Y-m-d): 2014-03-03

Project end date (Y-m-d): 2017-12-02

Project duration:: 45 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. ..
  2. Spektrometr VCD do pomiaru dichroizmu kołowego w zakresie podczerwieni (480 000 PLN)

Information in the final report

  • Publication in academic press/journals (14)
  1. On splitting of the NICS(1) magnetic aromaticity index
    Authors:
    Jan Cz. Dobrowolski, Piotr F. J. Lipiński
    Academic press:
    RSC Adv., (rok: 2016, tom: 6, strony: 23900-23904), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6ra03246j - link to the publication
  2. On the Incorporation Effect of the Ring-Junction Heteroatom. The sEDA(III) and pEDA(III) Descriptors,
    Authors:
    Andrzej Mazurek, Jan Cz. Dobrowolski
    Academic press:
    J. Phys. Org. Chem. (rok: 2015, tom: 28, strony: 290-297), Wydawca: John Wiley & Sons, Ltd.
    Status:
    Published
    DOI:
    10.1002/poc.3409 - link to the publication
  3. On variation of the belt and chiral screw and spring conformations of substituted regioregular HT undecathiophenes
    Authors:
    Jan Cz. Dobrowolsk, Małgorzata E. Jamróz
    Academic press:
    RSC Advances (rok: 2018, tom: 8, strony: 2116-2122), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c7ra12777d - link to the publication
  4. The Chiral Graph Theory
    Authors:
    Jan Cz. Dobrowolski
    Academic press:
    MATCH Commun. Math. Comput. Chem. (rok: 2015, tom: 73, strony: 347-374), Wydawca: Faculty of Science, Kragujevac, Serbia
    Status:
    Published
    DOI:
    brak - link to the publication
  5. The VCD pattern of the ν(C=O) bands in isoindolinones
    Authors:
    Joanna E. Rode, Krzysztof Łyczko, Magdalena Jawiczuk, Robert Kawęcki, Wojciech Stańczyk, Agnieszka Jaglińska, Jan Cz. Dobrowolski
    Academic press:
    ChemPhysChem (rok: 2018, ), Wydawca: Wiley
    Status:
    Accepted for publication
    DOI:
    10.1002/cphc.201800244 - link to the publication
  6. Chiral Thiophene Sulfonamide-A Challenge for VOA Calculations
    Authors:
    Joanna E. Rode, Jan Cz. Dobrowolski, Krzysztof Lyczko, Aleksandra Wasiewicz, Dorota Kaczorek, Robert Kawęcki, Grzegorz Zając, Malgorzata Baranska
    Academic press:
    J. Phys. Chem. A (rok: 2017, tom: 121, strony: 6713−6726), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpca.6b11015 - link to the publication
  7. Facilitation of the PED analysis of large molecules by using global coordinates
    Authors:
    Michał H. Jamróz, Sławomir Ostrowski, Jan Cz. Dobrowolski
    Academic press:
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (rok: 2015, tom: 149, strony: 463-467), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.saa.2015.04.038 - link to the publication
  8. What does the HOMA index really measure?
    Authors:
    Sławomir Ostrowski, Jan Cz. Dobrowolski
    Academic press:
    RSC Adv. (rok: 2014, tom: 4, strony: 44158 – 44161), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c4ra06652a - link to the publication
  9. On Chiral Graph Topological Indices of α-Amino Acids
    Authors:
    Jan Cz. Dobrowolski, Michał H. Jamróz, Piotr F.J. Lipiński
    Academic press:
    MATCH Commun. Math. Comput. Chem. (rok: 2016, tom: 76, strony: 401-418), Wydawca: Faculty of Science, Kragujevac, Serbia
    Status:
    Published
    DOI:
    brak - link to the publication
  10. Stereoselective synthesis of isoindolinones and tert-butyl sulfoxides
    Authors:
    Robert Kawęcki, Wojciech Stańczyk, Agnieszka Jaglińska
    Academic press:
    Tetrahedron (rok: 2018, tom: 74, strony: 578-584), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.tet.2017.12.035 - link to the publication
  11. The influence of the position of a chiral substituent on undecathiophene chain. A DFT study
    Authors:
    Jan Cz. Dobrowolski, Piotr F. J. Lipiński, Sławomir Ostrowski, Michał H. Jamróz, Joanna E. Rode
    Academic press:
    Synthetic Metals (rok: 2018, tom: 242, strony: 73-82), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.synthmet.2018.05.007 - link to the publication
  12. On the HOMA index of some acyclic and conducting systems
    Authors:
    Jan Cz. Dobrowolski, Sławomir Ostrowski
    Academic press:
    RSC Adv. (rok: 2015, tom: 5, strony: 9467 – 9471), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c4ra15311a - link to the publication
  13. Simple characteristics of chirality, pi-electron delocalization, and vibrational activity of building blocks for conducting polymers
    Authors:
    Jan Cz. Dobrowolski, Michał H. Jamróz, Piotr F.J. Lipiński, Sławomir Ostrowski, Joanna E. Rode
    Academic press:
    ICRI Annual Report 2014 (rok: 2015, tom: brak, strony: 53-56), Wydawca: Institute of Nuclear Chemistry and Technology,
    Status:
    Published
    DOI:
    brak - link to the publication
  14. Substituent effect in theoretical ROA spectra
    Authors:
    Piotr F. J. Lipiński, Jan Cz. Dobrowolski
    Academic press:
    RSC Adv., (rok: 2016, tom: 6, strony: 40760-40764), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6ra01396a - link to the publication

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Deklaracja dostępności
Przetwarzanie danych osobowych
Polityka cookies

Partnerzy