Search results
- 1.0586928 - ÚOCHB 2025 RIV NL eng J - Journal Article
Wu, Tao - Kessler, Jiří - Zhao, H. - Zhao, Y.
Phosphorylation site of L-alanyl-L-glutamine identified by Raman optical activity spectroscopy.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Roč. 320, November (2024), č. článku 124587. ISSN 0584-8539
R&D Projects: GA ČR(CZ) GA23-05378S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : biomolecular spectroscopy * raman optical activity * peptide phosphorylation * molecular dynamics * circularly polarized luminescence
Method of publishing: Limited access
https://doi.org/10.1016/j.saa.2024.124587
Permanent Link: https://hdl.handle.net/11104/0354296 - 2.0583160 - ÚOCHB 2025 RIV US eng J - Journal Article
Hachlica, N. - Stefanska, M. - Mach, M. - Kowalska, M. - Wydro, P. - Domagala, A. - Kessler, Jiří - Zajac, G. - Kaczor, A.
Organization of Carotenoid Aggregates in Membranes Studied Selectively using Resonance Raman Optical Activity.
Small. (2024). ISSN 1613-6810. E-ISSN 1613-6829
Institutional support: RVO:61388963
Keywords : aggregates * carotenoids * chirality * membranes * raman optical octivity * supramolecules
Impact factor: 13.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/smll.202306707
Permanent Link: https://hdl.handle.net/11104/0351152 - 3.0576643 - FZÚ 2024 RIV GB eng J - Journal Article
Bui, Duong Thuy - Kubíčková, Lenka - Kuličková, Jarmila - Bouř, Petr - Kessler, Jiří - Řezanka, P. - Kaman, Ondřej
Gold nanoshells with magnetic cores and a urea-based receptor for SERS sensing of fluoride anions: experimental and computational study.
Analyst. Roč. 148, č. 20 (2023), s. 5070-5083. ISSN 0003-2654. E-ISSN 1364-5528
R&D Projects: GA MŠMT(CZ) EF16_019/0000760; GA MŠMT(CZ) LM2018096; GA ČR GA19-02584S; GA ČR(CZ) GA22-04669S
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271 ; RVO:61388963
Keywords : gold nanoshells * molecular sensor * surface-enhanced Raman spectroscopy * DFT calculations * ureas * magnetic nanoparticles
OECD category: Nano-materials (production and properties); Physical chemistry (UOCHB-X)
Impact factor: 4.2, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0348058File Download Size Commentary Version Access 0576643.pdf 0 3.9 MB CC licence Publisher’s postprint open-access - 4.0576140 - ÚOCHB 2024 RIV DE eng J - Journal Article
Yang, Qin - Bloino, J. - Šestáková, Hana - Šebestík, Jaroslav - Kessler, Jiří - Hudecová, J. - Kapitán, J. - Bouř, Petr
Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III) Complex.
Angewandte Chemie - International Edition. Roč. 62, č. 45 (2023), č. článku e202312521. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA22-04669S
Institutional support: RVO:61388963
Keywords : density functional theory * metal complexes * Raman optical activity * resonance * vibronic theory
OECD category: Physical chemistry
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/anie.202312521
Permanent Link: https://hdl.handle.net/11104/0345732 - 5.0573772 - ÚOCHB 2024 RIV US eng J - Journal Article
Das, Moumita - Gangopadhyay, Debraj - Hudecová, J. - Kessler, Jiří - Kapitán, J. - Bouř, Petr
Monitoring Conformation and Protonation States of Glutathione by Raman Optical Activity and Molecular Dynamics.
ChemPlusChem. Roč. 88, č. 11 (2023), č. článku e202300219. ISSN 2192-6506. E-ISSN 2192-6506
R&D Projects: GA ČR(CZ) GA22-04669S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : density functional theory * glutathione * molecular dynamics * Raman optical activity * spectra modeling
OECD category: Physical chemistry
Impact factor: 3.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/cplu.202300219
Permanent Link: https://hdl.handle.net/11104/0344134 - 6.0570656 - ÚOCHB 2024 RIV GB eng J - Journal Article
Schrenková, Věra - Para Kkadan, Mohammed Siddhique - Kessler, Jiří - Kapitán, J. - Bouř, Petr
Molecular dynamics and Raman optical activity spectra reveal nucleotide conformation ratios in solution.
Physical Chemistry Chemical Physics. Roč. 25, č. 11 (2023), s. 8198-8208. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA22-04669S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * nucleic acids * free energies
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D2CP05756E
Permanent Link: https://hdl.handle.net/11104/0341979 - 7.0556415 - ÚOCHB 2023 RIV US eng J - Journal Article
Kessler, Jiří - Bouř, Petr
Classical Trajectory of Molecules in Electromagnetic Field: A Handy Method to Simulate Molecular Vibrational Spectra.
Journal of Chemical Theory and Computation. Roč. 18, č. 3 (2022), s. 1780-1787. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-10144S
Institutional support: RVO:61388963
Keywords : Raman optical activity * circular dichroism * corresponding eigenvectors
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jctc.1c01138
Permanent Link: http://hdl.handle.net/11104/0330634 - 8.0549139 - ÚOCHB 2022 RIV GB eng J - Journal Article
Yamamoto, S. - Ishiro, S. - Kessler, Jiří - Bouř, Petr
Intense chiral signal from α-helical poly-L-alanine observed in low-frequency Raman optical activity.
Physical Chemistry Chemical Physics. Roč. 23, č. 46 (2021), s. 26501-26509. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA20-10144S; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * molecular dynamics clusters * property tensors
OECD category: Physical chemistry
Impact factor: 3.945, year: 2021
Method of publishing: Limited access
https://doi.org/10.1039/D1CP04401J
Permanent Link: http://hdl.handle.net/11104/0325156 - 9.0544691 - ÚOCHB 2022 RIV GB eng J - Journal Article
Kurochka, Andrii - Průša, Jiří - Kessler, Jiří - Kapitán, J. - Bouř, Petr
α-Synuclein conformations followed by vibrational optical activity. Simulation and understanding of the spectra.
Physical Chemistry Chemical Physics. Roč. 23, č. 31 (2021), s. 16635-16645. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-10144S
Institutional support: RVO:61388963
Keywords : molecular property tensors * ab-initio calculation * xircular dichroism
OECD category: Physical chemistry
Impact factor: 3.945, year: 2021
Method of publishing: Limited access
https://doi.org/10.1039/D1CP02574K
Permanent Link: http://hdl.handle.net/11104/0321519 - 10.0539633 - ÚOCHB 2022 RIV DE eng J - Journal Article
Krupová, Monika - Kessler, Jiří - Bouř, Petr
Polymorphism of Amyloid Fibrils Induced by Catalytic Seeding: A Vibrational Circular Dichroism Study.
ChemPhysChem. Roč. 22, č. 1 (2021), s. 83-91. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA ČR(CZ) GA18-05770S; GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-10144S
Institutional support: RVO:61388963
Keywords : catalytic seeding * fibrous proteins * molecular modeling * protein folding * vibrational circular dichroism
OECD category: Physical chemistry
Impact factor: 3.520, year: 2021
Method of publishing: Limited access
https://doi.org/10.1002/cphc.202000797
Permanent Link: http://hdl.handle.net/11104/0317341