Search results

  1. 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/11104/0354180
    FileDownloadSizeCommentaryVersionAccess
    10.1021acscatal.4c02036.pdf02.8 MBPublisher’s postprintopen-access
     
     
  2. 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/11104/0351874
    FileDownloadSizeCommentaryVersionAccess
    10.1021acs.inorgchem.3c03822.pdf07.8 MBPublisher’s postprintrequire
     
     
  3. 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. 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. 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. 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. 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. 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. 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. 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
     
     

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