Search results
- 1.0586787 - ÚOCHB 2025 RIV US eng J - Journal Article
Cagan, D. A. - Bím, Daniel - Kazmierczak, N. P. - Hadt, R. G.
Mechanisms of Photoredox Catalysis Featuring Nickel-Bipyridine Complexes.
ACS Catalysis. Roč. 14, č. 11 (2024), s. 9055-9076. ISSN 2155-5435. E-ISSN 2155-5435
EU Projects: European Commission(XE) 883987 - PhotoRedOx
Institutional support: RVO:61388963
Keywords : cross-coupling reactions * electronic structure * mechanism * metallaphotoredox catalysis * organic transformations * photoredox catalysis
Impact factor: 12.9, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acscatal.4c02036
Permanent Link: https://hdl.handle.net/11104/0354180File Download Size Commentary Version Access 10.1021acscatal.4c02036.pdf 0 2.8 MB Publisher’s postprint open-access - 2.0583883 - ÚOCHB 2025 RIV US eng J - Journal Article
Bím, Daniel - Luedecke, K. M. - Cagan, D. A. - Hadt, R. G.
Light Activation and Photophysics of a Structurally Constrained Nickel(II)-Bipyridine Aryl Halide Complex.
Inorganic Chemistry. Roč. 63, č. 9 (2024), s. 4120-4131. ISSN 0020-1669. E-ISSN 1520-510X
EU Projects: European Commission(XE) 883987 - PhotoRedOx
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : excited-state * photoredox catalysis * oxidative addition
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.6, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.inorgchem.3c03822
Permanent Link: https://hdl.handle.net/11104/0351874File Download Size Commentary Version Access 10.1021acs.inorgchem.3c03822.pdf 0 7.8 MB Publisher’s postprint require - 3.0556929 - ÚOCHB 2023 RIV SE eng J - Journal Article
Tupec, Michal - Culka, Martin - Machara, Aleš - Macháček, Stanislav - Bím, Daniel - Svatoš, Aleš - Rulíšek, Lubomír - Pichová, Iva
Understanding desaturation/hydroxylation activity of castor stearoyl Δ9-Desaturase through rational mutagenesis.
Computational and Structural Biotechnology Journal. Roč. 20, March (2022), s. 1378-1388. ISSN 2001-0370. E-ISSN 2001-0370
R&D Projects: GA MŠMT(CZ) LTAUSA19148; GA MŠMT(CZ) LM2015064; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : Δ9 desaturase * methane monooxygenase * reaction mechanism * proton transfer * desaturation * hydroxylation
OECD category: Biochemistry and molecular biology
Impact factor: 6, year: 2022
Method of publishing: Open access
https://doi.org/10.1016/j.csbj.2022.03.010
Permanent Link: http://hdl.handle.net/11104/0331046 - 4.0552067 - ÚOCHB 2023 RIV US eng J - Journal Article
Bím, Daniel - Navrátil, Michal - Gutten, Ondrej - Konvalinka, Jan - Kutil, Zsofia - Culka, Martin - Navrátil, Václav - Alexandrova, A. N. - Bařinka, Cyril - Rulíšek, Lubomír
Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II.
Journal of Physical Chemistry B. Roč. 126, č. 1 (2022), s. 132-143. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LTAUSA19148; GA ČR(CZ) GA18-14167S; GA ČR(CZ) GJ19-22269Y
Institutional support: RVO:61388963 ; RVO:86652036
Keywords : monoamine-oxidase B * reaction mechanism * membrane antigen
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcb.1c09240
Permanent Link: http://hdl.handle.net/11104/0327224 - 5.0525592 - ÚOCHB 2021 RIV US eng J - Journal Article
Bím, Daniel - Chalupský, Jakub - Culka, Martin - Solomon, E. I. - Rulíšek, Lubomír - Srnec, M.
Proton–Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase.
Journal of the American Chemical Society. Roč. 142, č. 23 (2020), s. 10412-10423. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GJ20-06451Y; GA MŠMT(CZ) LTAUSA19148
Institutional support: RVO:61388963
Keywords : 2nd order perturbation theory * density functional theory * carrier protein desaturase
OECD category: Physical chemistry
Impact factor: 15.419, year: 2020
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/jacs.0c01786
Permanent Link: http://hdl.handle.net/11104/0309704 - 6.0517835 - ÚOCHB 2020 RIV GB eng J - Journal Article
Maldonado-Domínguez, M. - Bím, Daniel - Fučík, R. - Čurík, R. - Srnec, M.
Reactive mode composition factor analysis of transition states: The case of coupled electron-proton transfers.
Physical Chemistry Chemical Physics. Roč. 21, č. 45 (2019), s. 24912-24918. ISSN 1463-9076. E-ISSN 1463-9084
Institutional support: RVO:61388963
Keywords : electron-proton transfers * transition states * chemical reactivity
OECD category: Physical chemistry
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
https://pubs.rsc.org/en/content/articlelanding/2019/CP/C9CP05131G#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0303099 - 7.0509120 - ÚOCHB 2020 RIV US eng J - Journal Article
Bím, Daniel - Maldonado-Domínguez, M. - Fučík, R. - Srnec, M.
Dissecting the Temperature Dependence of Electron-Proton Transfer Reactivity.
Journal of Physical Chemistry C. Roč. 123, č. 35 (2019), s. 21422-21428. ISSN 1932-7447. E-ISSN 1932-7455
Institutional support: RVO:61388963
Keywords : hydrogen-atom transfer * C-H bonds * hydroxylation
OECD category: Physical chemistry
Impact factor: 4.189, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpcc.9b07375
Permanent Link: http://hdl.handle.net/11104/0299902 - 8.0508768 - ÚOCHB 2020 RIV GB eng J - Journal Article
Kaleta, Jiří - Šimková, L. - Liška, A. - Bím, Daniel - Madridejos, J. M. L. - Pohl, Radek - Rulíšek, Lubomír - Michl, Josef - Ludvík, J.
Preparation and redox properties of fluorinated 1,3-diphenylisobenzofurans.
Electrochimica acta. Roč. 321, Oct 20 (2019), č. článku 134659. ISSN 0013-4686. E-ISSN 1873-3859
R&D Projects: GA ČR(CZ) GA19-22806S
Institutional support: RVO:61388963
Keywords : fluorinated 1,3-diphenylisobenzofurans * singlet fission * synthesis * oxidation/reduction * DFT calculations
OECD category: Physical chemistry
Impact factor: 6.215, year: 2019
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S0013468619315270?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0299589 - 9.0507252 - ÚOCHB 2020 RIV DE eng J - Journal Article
Ajenjo, Javier - Klepetářová, Blanka - Greenhall, M. - Bím, Daniel - Culka, Martin - Rulíšek, Lubomír - Beier, Petr
Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects.
Chemistry - A European Journal. Roč. 25, č. 48 (2019), s. 11375-11382. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GC18-00215J
EU Projects: European Commission(XE) 607787 - FLUOR21
Institutional support: RVO:61388963
Keywords : fluorine * pentafluorosulfanyl * radical reactions * reaction mechanisms * synthetic methods
OECD category: Organic chemistry
Impact factor: 4.857, year: 2019
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201902651
Permanent Link: http://hdl.handle.net/11104/0298277 - 10.0501629 - BTÚ 2019 RIV GB eng J - Journal Article
Bařinka, Cyril - Nováková, Zora - Hin, N. - Bím, Daniel - Ferraris, D. V. - Duvall, B. - Kabarriti, G. - Tsukamoto, R. - Buděšínský, Miloš - Motlová, Lucia - Rojas, C. - Slusher, B. S. - Rokob, T. A. - Rulíšek, Lubomír - Tsukamoto, T.
Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorganic & Medicinal Chemistry. Roč. 27, č. 2 (2019), s. 255-264. ISSN 0968-0896. E-ISSN 1464-3391
R&D Projects: GA MŠMT(CZ) LM2015043; GA MŠMT(CZ) EF16_013/0001776; GA MŠMT(CZ) ED1.1.00/02.0109; GA ČR(CZ) GA17-24155S
Grant - others:Ga MŠk(CZ) LM2015070
Institutional support: RVO:86652036 ; RVO:61388963
Keywords : Glutamate carboxypeptidase II * Prostate-specific membrane antigen * Crystal structure
OECD category: Biochemistry and molecular biology; Physical chemistry (UOCHB-X)
Impact factor: 3.073, year: 2019
Permanent Link: http://hdl.handle.net/11104/0293626