Search results
- 1.0584490 - ÚOCHB 2025 RIV DE eng J - Journal Article
Manna, Debashree - Lo, Rabindranath - Vacek, Jaroslav - Miriyala, Vijay Madhav - Bouř, Petr - Wu, Tao - Osifová, Zuzana - Nachtigallová, Dana - Dračínský, Martin - Hobza, Pavel
The Stability of Hydrogen-Bonded Ion-Pair Complex Unexpectedly Increases with Increasing Solvent Polarity.
Angewandte Chemie - International Edition. (2024), e202403218. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : hydrogen bonding * solvent effect * NMR * micro-solvation * slow-growth dynamics
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/anie.202403218
Permanent Link: https://hdl.handle.net/11104/0352407 - 2.0584468 - ÚOCHB 2025 RIV GB eng J - Journal Article
Chaloupecká, Ema - Tyrpekl, V. - Bártová, Kateřina - Nishiyama, Y. - Dračínský, Martin
NMR crystallography of amino acids.
Solid State Nuclear Magnetic Resonance. Roč. 130, April (2024), s. 101921. ISSN 0926-2040. E-ISSN 1527-3326
R&D Projects: GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : solid-state NMR spectroscopy * DFT calculations * amino acids * polymorphism * disorder
Impact factor: 3.2, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.ssnmr.2024.101921
Permanent Link: https://hdl.handle.net/11104/0352378 - 3.0573771 - ÚOCHB 2024 RIV US eng J - Journal Article
Osifová, Zuzana - Šála, Michal - Dračínský, Martin
Hydrogen-Bonding Interactions of 8-Substituted Purine Derivatives.
ACS Omega. Roč. 8, č. 28 (2023), s. 25538-25548. ISSN 2470-1343. E-ISSN 2470-1343
R&D Projects: GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : oxidative DNA damage * computational analysis * electronic properties
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 4.1, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acsomega.3c03244
Permanent Link: https://hdl.handle.net/11104/0344133 - 4.0567565 - ÚOCHB 2024 RIV US eng J - Journal Article
Socha, Ondřej - Osifová, Zuzana - Dračínský, Martin
NMR-Challenge.com: An Interactive Website with Exercises in Solving Structures from NMR Spectra.
Journal of Chemical Education. Roč. 100, č. 2 (2023), s. 962-968. ISSN 0021-9584. E-ISSN 1938-1328
R&D Projects: GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : second-year undergraduate * organic chemistry * computer-based learning * distance learning/self instruction * NMR spectroscopy
OECD category: Organic chemistry
Impact factor: 3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jchemed.2c01067
Permanent Link: https://hdl.handle.net/11104/0338811 - 5.0565066 - ÚOCHB 2023 RIV US eng J - Journal Article
Blahut, Jan - Štoček, Jakub Radek - Šála, Michal - Dračínský, Martin
The hydrogen bond continuum in solid isonicotinic acid.
Journal of Magnetic Resonance. Roč. 345, December (2022), č. článku 107334. ISSN 1090-7807. E-ISSN 1096-0856
R&D Projects: GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : solid-state NMR spectroscopy * DFT calculations * hydrogen bonding * nuclear quantum effects * isotope labeling
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 2.2, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.jmr.2022.107334
Permanent Link: https://hdl.handle.net/11104/0336613 - 6.0561273 - ÚOCHB 2023 RIV US eng J - Journal Article
Ganguly, P. - Bubák, D. - Polák, J. - Fagan, P. - Dračínský, Martin - Van Der Vegt, N. F. A. - Heyda, J. - Shea, J. E.
Cosolvent Exclusion Drives Protein Stability in Trimethylamine N-Oxide and Betaine Solutions.
Journal of Physical Chemistry Letters. Roč. 13, č. 34 (2022), s. 7980-7986. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : force-field * preferential interactions * glycine betaine
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 5.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpclett.2c01692
Permanent Link: https://hdl.handle.net/11104/0333964 - 7.0560611 - ÚOCHB 2023 RIV DE eng J - Journal Article
Hudecová, Jana - Kapitán, J. - Dračínský, Martin - Michal, P. - Profant, V. - Bouř, Petr
Structure of Zinc and Nickel Histidine Complexes in Solution Revealed by Molecular Dynamics and Raman Optical Activity.
Chemistry - A European Journal. Roč. 28, č. 59 (2022), č. článku e202202045. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GA22-04669S; GA ČR(CZ) GA22-15374S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : density functional calculations * histidine * metal complexes * molecular dynamics * Raman optical activity * Raman spectroscopy
OECD category: Physical chemistry
Impact factor: 4.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/chem.202202045
Permanent Link: https://hdl.handle.net/11104/0333475 - 8.0559677 - ÚOCHB 2023 RIV US eng J - Journal Article
Osifová, Zuzana - Reiberger, Róbert - Císařová, I. - Machara, Aleš - Dračínský, Martin
Diketo–ketoenol tautomers in curcuminoids: synthesis, separation of tautomers, and kinetic and structural studies.
Journal of Organic Chemistry. Roč. 87, č. 15 (2022), s. 10309-10318. ISSN 0022-3263. E-ISSN 1520-6904
R&D Projects: GA ČR(CZ) GA22-15374S; GA ČR(CZ) GA22-16389S
Institutional support: RVO:61388963
Keywords : NF-κB * enol tautomerism * NMR spectroscopy
OECD category: Organic chemistry
Impact factor: 3.6, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.joc.2c01357
Permanent Link: https://hdl.handle.net/11104/0332881 - 9.0557196 - ÚOCHB 2023 RIV US eng J - Journal Article
Štoček, Jakub Radek - Socha, Ondřej - Císařová, I. - Slanina, Tomáš - Dračínský, Martin
Importance of Nuclear Quantum Effects for Molecular Cocrystals with Short Hydrogen Bonds.
Journal of the American Chemical Society. Roč. 144, č. 16 (2022), s. 7111-7116. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : solid state NMR * temperature-dependence * pharmaceutical cocrystals
OECD category: Physical chemistry
Impact factor: 15, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/jacs.1c10885
Permanent Link: http://hdl.handle.net/11104/0331264 - 10.0556979 - ÚOCHB 2023 RIV GB eng J - Journal Article
Lo, Rabindranath - Manna, Debashree - Lamanec, Maximilián - Dračínský, Martin - Bouř, Petr - Wu, Tao - Bastien, Guillaume - Kaleta, Jiří - Miriyala, Vijay Madhav - Špirko, Vladimír - Mašínová, Anna - Nachtigallová, Dana - Hobza, Pavel
The stability of covalent dative bond significantly increases with increasing solvent polarity.
Nature Communications. Roč. 13, č. 1 (2022), č. článku 2107. E-ISSN 2041-1723
R&D Projects: GA ČR(CZ) GX19-27454X; GA ČR(CZ) GA20-10144S; GA ČR(CZ) GA20-13745S; GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : analyzing vibrational-spectra * charge-transfer * complexes
OECD category: Physical chemistry
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1038/s41467-022-29806-3
Permanent Link: http://hdl.handle.net/11104/0331103