Projects funded by the NCN
Studies on the steric structure and stability of the gas-phase complexes of macrocyclic receptors with anions using ion mobility - mass spectrometry, collision-induced dissociation and computational methods
2016/21/B/ST4/03876
Keywords:
ion mobility-mass spectrometry macrocyclic receptors complexation of anions computational methods
Descriptors:
- ST4_3: Molecular architecture and structure
- ST4_4: Theoretical and computational chemistry
- ST4_15: Colloid chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Instytut Chemii Organicznej Polskiej Akademii Nauk
woj. mazowieckie
Principal investigator (from the host institution):
Number of co-investigators in the project: 4
Call: OPUS 11 - announced on 2016-03-15
Amount awarded: 703 200 PLN
Project start date (Y-m-d): 2017-02-06
Project end date (Y-m-d): 2021-11-05
Project duration:: 57 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]
- Pakiet programów chemii kwantowej "Spartan" (Windows i Linux) (20 200 PLN)
- Program do obliczeń kwantowo-chemicznych Spartan v.20 (9 547 PLN)
- Komputer obliczeniowy (8 199 PLN)
- Zaawansowana wieloprocesorowa stacja robocza. (85 000 PLN)
- Aktualizacja programu Gaussian do wersji 16.
Information in the final report
- Publication in academic press/journals (2)
- Beyond Size Complementary Factors in Anion-Tetralactam Macrocycle Complexes: From Intrinsic Gas-Phase to Solvent-Predicted StabilitiesAuthors:Magdalena Zimnicka, Kinga Kozlowska, Witold Danikiewicz,Academic press:Journal of Organic Chemistry (rok: 2020, tom: 85, strony: 8990-9000), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/acs.joc.0c00917 - link to the publication
- Ion mobility mass spectrometry - an efficient tool for the analysis of conformational switch of macrocyclic receptors upon anion bindingAuthors:Magdalena M. Zimnicka, Elina Kalenius, Janusz Jurczak, Witold DanikiewiczAcademic press:Analyst (rok: 2021, tom: 146, strony: 5337-5346), Wydawca: The Royal Society of ChemistryStatus:PublishedDOI:10.1039/d1an00958c - link to the publication