Search results
- 1.0576844 - ÚACH 2024 RIV CH eng J - Journal Article
Pazderová, Lucia - Tüzün, Ece Zeynep - Bavol, Dmytro - Litecká, Miroslava - Fojt, Lukáš - Grüner, Bohumír
Chemistry of Carbon-Substituted Derivatives of Cobalt Bis(dicarbollide)(1-) Ion and Recent Progress in Boron Substitution †.
Molecules. Roč. 28, č. 19 (2023), č. článku 6971. E-ISSN 1420-3049
R&D Projects: GA ČR(CZ) GA21-14409S
Institutional support: RVO:61388980 ; RVO:68081707
Keywords : borane * carborane * cobalt bis(dicarbollide) * dicarbollide * lithiation * metalation
OECD category: Inorganic and nuclear chemistry; Biochemistry and molecular biology (BFU-R)
Impact factor: 4.6, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0346240File Download Size Commentary Version Access Chemistry.pdf 1 35 MB CC-BY licence Publisher’s postprint open-access - 2.0568179 - ÚOCHB 2023 GB eng A - Abstract
Brynda, Jiří - Kugler, Michael - Nekvinda, Jan - Holub, Josef - El Anwar, Suzan - Das, V. - Šícha, Václav - Pospíšilová, Klára - Fábry, Milan - Král, Vlastimil - Pachl, Petr - Hajdúch, M. - Grüner, Bohumír - Řezáčová, Pavlína
Structure-assisted design of inhibitors of CA IX enzyme based on polyhedral boron compounds.
Acta Crystallographica Section A-Foundation and Advances. Oxford Blackwell. Roč. 77 (2021), C864-C864. ISSN 2053-2733. E-ISSN 2053-2733
Institutional support: RVO:61388963 ; RVO:61388980 ; RVO:68378050
Keywords : carborane * cobal bis(dicarbollide) * carbonic anhydrase * enzyme inhibition * SAR study
https://journals.iucr.org/a/issues/2021/a2/00/a60441/a60441.pdf
Permanent Link: https://hdl.handle.net/11104/0339514 - 3.0557879 - ÚACH 2024 RIV US eng J - Journal Article
Perumalla, D. - Ghorai, S. - Pal, T. - Hnyk, Drahomír - Holub, Josef - Jemmis, E. D.
Rearrangement of dicarboranyl methyl cation to icosahedral C3B9H12+: An ab initio dynamics view.
Journal of Computational Chemistry. Roč. 44, č. 3 (2023), s. 256-260. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR(CZ) GA22-03945S
Institutional support: RVO:61388980
Keywords : molecular-dynamics * carboranes * carborane cation * metadynamics * tropylium rearrangement
OECD category: Inorganic and nuclear chemistry
Impact factor: 3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/jcc.26880
Permanent Link: https://hdl.handle.net/11104/0337479 - 4.0557551 - ÚOCHB 2023 RIV CH eng J - Journal Article
Vaňková, E. - Lokočová, K. - Kašparová, P. - Hadravová, Romana - Křížová, I. - Mat’átková, O. - Masák, J. - Šícha, V.
Cobalt Bis-Dicarbollide Enhances Antibiotics Action towards Staphylococcus epidermidis Planktonic Growth Due to Cell Envelopes Disruption.
Pharmaceuticals. Roč. 15, č. 5 (2022), č. článku 534. E-ISSN 1424-8247
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : additive effect * antibiotics * antimicrobial activity * carborane * erythromycin * gram-positive bacterium * metallacarboranes * synergistic effect * tetracycline * vancomycin
OECD category: Microbiology
Impact factor: 4.6, year: 2022
Method of publishing: Open access
https://doi.org/10.3390/ph15050534
Permanent Link: http://hdl.handle.net/11104/0331517 - 5.0549123 - FZÚ 2022 RIV GB eng J - Journal Article
Hladík, Martin - Fejfar, Antonín - Vázquez, Héctor
Doping of the hydrogen-passivated Si(100) electronic structure through carborane adsorption studied using density functional theory.
Physical Chemistry Chemical Physics. Roč. 23, č. 36 (2021), s. 20379-20387. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT EF16_026/0008382; GA MŠMT LM2018110
Grant - others:Ministerstvo školství, mládeže a tělovýchovy - GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_026/0008382
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:68378271
Keywords : doping * silicon * carborane * electronic structure * injection barrier * density functional theory
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.945, year: 2021
Method of publishing: Limited access
https://doi.org/10.1039/D1CP01654G
Permanent Link: http://hdl.handle.net/11104/0325148 - 6.0548554 - ÚMG 2022 RIV DE eng J - Journal Article
Kugler, Michael - Nekvinda, J. - Holub, J. - El Anwar, S. - Das, V. - Šícha, V. - Pospíšilová, K. - Fábry, Milan - Král, Vlastimil - Brynda, Jiří - Kašička, V. - Hajduch, M. - Řezáčová, Pavlína - Grüner, B.
Inhibitors of CA IX Enzyme Based on Polyhedral Boron Compounds.
Chembiochem. Roč. 22, č. 18 (2021), s. 2741-2761. ISSN 1439-4227. E-ISSN 1439-7633
Institutional support: RVO:68378050
Keywords : carbonic anhydrase * carborane * cobalt bis(dicarbollide) * crystallography * enzyme inhibition * SAR studies
OECD category: Biochemistry and molecular biology
Impact factor: 3.468, year: 2021
Method of publishing: Limited access
https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cbic.202100121
Permanent Link: http://hdl.handle.net/11104/0324600 - 7.0543164 - ÚOCHB 2022 RIV DE eng J - Journal Article
Kugler, Michael - Nekvinda, Jan - Holub, Josef - El Anwar, Suzan - Das, V. - Šícha, Václav - Pospíšilová, Klára - Fábry, M. - Král, V. - Brynda, Jiří - Kašička, Václav - Hajdúch, M. - Řezáčová, Pavlína - Grüner, Bohumír
Inhibitors of CA IX Enzyme Based on Polyhedral Boron Compounds.
Chembiochem. Roč. 22, č. 18 (2021), s. 2741-2761. ISSN 1439-4227. E-ISSN 1439-7633
R&D Projects: GA ČR(CZ) GA18-27648S; GA TA ČR(CZ) TE01020028; GA MŠMT(CZ) LM2015064
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : carbonic anhydrase * carborane * cobalt bis(dicarbollide) * crystallography * enzyme inhibition * SAR studies
OECD category: Organic chemistry; Inorganic and nuclear chemistry (UACH-T)
Impact factor: 3.468, year: 2021
Method of publishing: Limited access
https://doi.org/10.1002/cbic.202100121
Permanent Link: http://hdl.handle.net/11104/0320438 - 8.0539170 - ÚMG 2021 RIV GB eng J - Journal Article
Kugler, Michael - Holub, J. - Brynda, Jiří - Pospíšilová, K. - El Anwar, S. - Bavol, D. - Havránek, M. - Král, Vlastimil - Fábry, Milan - Gruner, B. - Řezáčová, Pavlína
The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
Journal of Enzyme Inhibition and Medicinal Chemistry. Roč. 35, č. 1 (2020), s. 1800-1810. ISSN 1475-6366. E-ISSN 1475-6374
Institutional support: RVO:68378050
Keywords : tumor hypoxia * medicinal chemistry * drug discovery * binding-sites * inhibition * boron * pharmacophores * opportunities * conjugation * metastasis * Carbonic anhydrase IX * carborane * enzyme inhibitors * structure-activity relationship
OECD category: Biochemistry and molecular biology
Impact factor: 5.051, year: 2020
Method of publishing: Open access
https://www.tandfonline.com/doi/full/10.1080/14756366.2020.1816996
Permanent Link: http://hdl.handle.net/11104/0316870 - 9.0539086 - ÚACH 2022 DE eng D - Thesis
Groner, L.
Targeting dipole-dipole and other interactions in self-assembled molecular systems by Virtual Reality and Augmented Reality. Bachelor thesis.
Hochschule Albstadt-Sigmaringen - Ústav anorganické chemie AV ČR, v.v.i. Defended: Albstatdt. 2.2.2021. - Albstatdt: Hochschule Albstadt-Sigmaringen, 2021. 122 s.
Institutional support: RVO:61388980
Keywords : Augmented Reality * Immersive Technologies * Unity 3D * Dipole-Dipole Interactions * Isomers * Carborane-thiol
OECD category: Inorganic and nuclear chemistry
Permanent Link: http://hdl.handle.net/11104/0316836 - 10.0523804 - ÚACH 2021 RIV CH eng J - Journal Article
Bakardjiev, Mario - El Anwar, Suzan - Bavol, Dmytro - Růžičková, Z. - Grüner, Bohumír
Focus on Chemistry of the 10-Dioxane-nido-7,8-dicarba-undecahydrido Undecaborate Zwitterion, Exceptionally Easy Abstraction of Hydrogen Bridge and Double-Action Pathways Observed in Ring Cleavage Reactions with OH- as Nucleophile.
Molecules. Roč. 25, č. 4 (2020), č. článku 814. E-ISSN 1420-3049
R&D Projects: GA ČR(CZ) GA18-27648S
Grant - others:AV ČR(CZ) L200321851
Program: Program podpory perspektivníchlidských zdrojů - postdoktorandů
Institutional support: RVO:61388980
Keywords : borane * carborane * dicarbollide ion * oxonium atom * nucleophilic substitution
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.412, year: 2020
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0308097File Download Size Commentary Version Access 0523804 SI.pdf 0 2.6 MB Other open-access Focus.pdf 1 1.6 MB CC-BY 4.0 licence Publisher’s postprint open-access
Research data: CCDC