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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Understanding molecular recognition processes using thermodynamic profiling and structural data

2016/21/D/ST4/03745

Keywords:

Structure ITC binding constant water solvation electrostatic MD

Descriptors:

  • ST4_4: Theoretical and computational chemistry
  • ST4_1: Physical chemistry, chemical physics

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Maura Malińska 

Number of co-investigators in the project: 2

Call: SONATA 11 - announced on 2016-03-15

Amount awarded: 683 550 PLN

Project start date (Y-m-d): 2017-03-09

Project end date (Y-m-d): 2020-09-08

Project duration:: 42 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Licencja oprogramowania Pymol.
  2. Komputer, monitor (2 szt.) (20 000 PLN)
  3. licencja programu XLSTAT (3 lata) (2 500 PLN)
  4. Licencja oprogramowania Office.

Information in the final report

  • Publication in academic press/journals (5)
  1. Conformations of p-tert-butylcalix[8]arene in solvated crystal structures
    Authors:
    Aleksandra Kieliszek, Maura Malinska
    Academic press:
    Crystal Growth & Design , Wydawca: ACS Publication
    Status:
    Accepted for publication
    DOI:
    10.1021/acs.cgd.1c00773 - link to the publication
  2. Insights into Molecular Recognition from the Crystal Structures of p-tert-Butylcalix[6]arene Complexed with Different Solvents
    Authors:
    Maura Malinska
    Academic press:
    IUCrJ , Wydawca: International Union of Crystallography
    Status:
    Accepted for publication
    DOI:
    brak - link to the publication
  3. Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals
    Authors:
    Maura Malinska, Aleksandra Kieliszek, Anna E. Kozioł, Barbara Mirosław, Krzysztof Woźniak
    Academic press:
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (rok: 2020, tom: 76, strony: 157-165), Wydawca: WILEY-BLACKWELL
    Status:
    Published
    DOI:
    10.1107/S2052520620001304 - link to the publication
  4. Structure and Morphology of Indole Analogue Crystals
    Authors:
    Joanna Pisarek, Maura Malinska
    Academic press:
    ACS Omega (rok: 2020, tom: 5, strony: 17141-17151), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acsomega.0c01020 - link to the publication
  5. Temperature- and solvent-induced crystal-form transformations of the pyridine@p-tert-butylcalix[6]arene host–guest system
    Authors:
    Maura Malinska
    Academic press:
    Crystal Growth & Design (rok: 2021, tom: 21, strony: 1103-1112), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/acs.cgd.0c01422 - link to the publication

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