Search results
- 1.0576720 - ÚOCHB 2024 RIV US eng J - Journal Article
Kipouros, I. - Stanczak, Agnieszka - Dunietz, E. M. - Ginsbach, J. W. - Srnec, Martin - Rulíšek, Lubomír - Solomon, E. I.
Experimental Evidence and Mechanistic Description of the Phenolic H-Transfer to the Cu2O2 Active Site of oxy-Tyrosinase.
Journal of the American Chemical Society. Roč. 145, č. 42 (2023), s. 22866-22870. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GA23-05940S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : copper * hydroxylation * monooxygenase
OECD category: Physical chemistry; Physical chemistry (UFCH-W)
Impact factor: 15, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/jacs.3c07450
Permanent Link: https://hdl.handle.net/11104/0346146File Download Size Commentary Version Access 0576720.pdf 0 2.1 MB Publisher’s postprint require - 2.0560284 - ÚOCHB 2023 RIV US eng J - Journal Article
Kipouros, I. - Stanczak, Agnieszka - Ginsbach, J. W. - Andrikopoulos, Prokopis C. - Rulíšek, Lubomír - Solomon, E. I.
Elucidation of the tyrosinase/O2/monophenol ternary intermediate that dictates the monooxygenation mechanism in melanin biosynthesis.
Proceedings of the National Academy of Sciences of the United States of America. Roč. 119, č. 33 (2022), č. článku e2205619119. ISSN 0027-8424. E-ISSN 1091-6490
R&D Projects: GA MŠMT(CZ) LTAUSA19148
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : tyrosinase * binuclear copper * monooxygenase * oxygen activation * melanin biosynthesis
OECD category: Physical chemistry
Impact factor: 11.1, year: 2022
Method of publishing: Open access
https://doi.org/10.1073/pnas.2205619119
Permanent Link: https://hdl.handle.net/11104/0333270 - 3.0556188 - ÚOCHB 2023 RIV GB eng J - Journal Article
Kipouros, I. - Stanczak, Agnieszka - Culka, Martin - Andris, Erik - Machonkin, T. R. - Rulíšek, Lubomír - Solomon, E. I.
Evidence for H-bonding interactions to the μ-η2:η2-peroxide of oxy-tyrosinase that activate its coupled binuclear copper site.
Chemical Communications. Roč. 58, č. 24 (2022), s. 3913-3916. ISSN 1359-7345. E-ISSN 1364-548X
R&D Projects: GA MŠMT(CZ) LTAUSA19148
Research Infrastructure: IT4Innovations - 90070
Institutional support: RVO:61388963
Keywords : absorption fine structure * hemocyanins * spectroscopy * binding
OECD category: Physical chemistry
Impact factor: 4.9, year: 2022
Method of publishing: Limited access
https://doi.org/10.1039/D2CC00750A
Permanent Link: http://hdl.handle.net/11104/0331028 - 4.0533835 - ÚFCH JH 2021 RIV US eng J - Journal Article
Srnec, Martin - Iyer, S. R. - Dassama, L. M. K. - Park, K. - Wong, S. D. - Sutherlin, K. D. - Yoda, Y. - Kobayashi, Y. - Kurokuzu, M. - Saito, M. - Seto, M. - Krebs, C. - Bollinger, J. M. - Solomon, E. I.
Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIV═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction.
Journal of the American Chemical Society. Roč. 142, č. 44 (2020), s. 18886-18896. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA MŠMT(CZ) LTAUSA19148
Institutional support: RVO:61388955
Keywords : nuclear Resonance Vibrational Spectroscopic Definition * density functional theory * FeIV═O complex
OECD category: Physical chemistry
Impact factor: 15.419, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0312090File Download Size Commentary Version Access 0533835.pdf 0 4.5 MB Publisher’s postprint require 0533835preprint.pdf 1 4.3 MB Author’s postprint open-access - 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 - 6.0524689 - ÚFCH JH 2021 RIV US eng J - Journal Article
Bím, Daniel - Chalupský, J. - Culka, M. - Solomon, E. I. - Rulíšek, L. - Srnec, Martin
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 ČR(CZ) GA18-13093S; GA MŠMT(CZ) LTAUSA19148
Institutional support: RVO:61388955
Keywords : Peptides and proteins * Reaction mechanisms * QM/MM
OECD category: Physical chemistry
Impact factor: 15.419, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0312693File Download Size Commentary Version Access 0524689.pdf 1 3 MB Publisher’s postprint require 0524689preprint.pdf 1 2.8 MB Author’s postprint open-access - 7.0489343 - ÚFCH JH 2019 RIV US eng J - Journal Article
Sutherlin, K. D. - Rivard, B. S. - Böttger, L. H. - Liu, L. V. - Rogers, M. S. - Srnec, Martin - Park, K. - Yoda, Y. - Kitao, S. - Kobayashi, Y. - Saito, M. - Seto, M. - Hu, M. - Zhao, J. - Lipscomb, J. D. - Solomon, E. I.
NRVS Studies of the Peroxide Shunt Intermediate in a Rieske Dioxygenase and Its Relation to the Native FesupII/supOinf2/infReaction.
Journal of the American Chemical Society. Roč. 140, č. 16 (2018), s. 5544-5559. ISSN 0002-7863. E-ISSN 1520-5126
Institutional support: RVO:61388955
Keywords : NRVS studies * Rieske dioxygenase * mononuclear nonheme iron enzymes
OECD category: Physical chemistry
Impact factor: 14.695, year: 2018
Permanent Link: http://hdl.handle.net/11104/0283781File Download Size Commentary Version Access 0489343 preprint.pdf 0 1.7 MB Author´s preprint open-access 0489343.pdf 0 805.6 KB Publisher’s postprint require - 8.0471846 - ÚFCH JH 2018 RIV US eng J - Journal Article
Srnec, Martin - Solomon, E. I.
Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2.
Journal of the American Chemical Society. Roč. 139, č. 6 (2017), s. 2396-2407. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GJ15-10279Y
Institutional support: RVO:61388955
Keywords : Chlorination * Chlorine compounds * Free radical reactions
OECD category: Physical chemistry
Impact factor: 14.357, year: 2017
Permanent Link: http://hdl.handle.net/11104/0269177File Download Size Commentary Version Access 0471846 preprint.pdf 0 1.9 MB Author´s preprint open-access 0471846.pdf 10 686.6 KB Publisher’s postprint require - 9.0458875 - ÚFCH JH 2017 RIV US eng J - Journal Article
Srnec, Martin - Wong, S. D. - Matthews, M. L. - Krebs, C. - Bollinger, J. M. - Solomon, E. I.
Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity.
Journal of the American Chemical Society. Roč. 138, č. 15 (2016), s. 5110-5122. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GJ15-10279Y
Institutional support: RVO:61388955
Keywords : Ferryl intermediate * syringomycin halogenase * electronic structure
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 13.858, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259095File Download Size Commentary Version Access 0458875 preprint.pdf 0 2.4 MB Author´s preprint open-access 0458875.pdf 9 799.8 KB Publisher’s postprint require - 10.0436895 - ÚOCHB 2015 RIV US eng J - Journal Article
Chalupský, Jakub - Rokob, Tibor András - Kurashige, Y. - Yanai, T. - Solomon, E. I. - Rulíšek, Lubomír - Srnec, Martin
Reactivity of the binuclear non-heme iron active site of delta(9) desaturase studied by large-scale multireference ab initio calculations.
Journal of the American Chemical Society. Roč. 136, č. 45 (2014), s. 15977-15991. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GA14-31419S
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : DMRG-CASPT2 * ab initio calculations * reaction mechanisms
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 12.113, year: 2014
Permanent Link: http://hdl.handle.net/11104/0240859