Publication Records

NOVOTNÝ, Jan, Markéta MUNZAROVÁ and Radek MAREK. Mechanisms of Ligand Hyperfine Coupling in Transition-Metal Complexes: σ and π Transmission Pathways. Inorganic Chemistry. American Chemical Society, 2024, vol. 63, No 19, p. 8580-8592. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.3c04425.

NOVOTNÝ, Jan, Stanislav KOMOROVSKY and Radek MAREK. Paramagnetic Effects in NMR Spectroscopy of Transition-Metal Complexes: Principles and Chemical Concepts. Accounts of Chemical Research. American Chemical Society, 2024, vol. 57, No 10, p. 1467-1477. ISSN 0001-4842. Available from: https://dx.doi.org/10.1021/acs.accounts.3c00786.

PARVEEN, Kumar, Rautiainen MIKKO, Jan NOVOTNÝ, Ward JAS S., Radek MAREK, Rissanen KARI and Puttreddy RAKESH. The impact of ortho-substituents on Bonding in Silver(I) and Halogen(I) complexes of 2-Mono- and 2,6-Disubstituted Pyridines: An In-depth Experimental and Theoretical Study. Chemistry - A European Journal. Wiley, 2024, vol. 30, No 13, p. 1-10. ISSN 0947-6539. Available from: https://dx.doi.org/10.1002/chem.202303643.

NOVOTNÝ, Jan and Radek MAREK. 37th Central European NMR Meeting, NMR Valtice 2024. 2024.

KOZELKA, Jiří, Yevgen YURENKO, Jan NOVOTNÝ and Radek MAREK. Catalytic Mechanism of Formate Dehydrogenase: Computational Studies. In 14th EBSA Congress. 2023. ISSN 0175-7571.

NOVOTNÝ, Jan, Jan CHYBA, Anna HRUZÍKOVÁ, Petra PIKULOVÁ, Aliaksandra KURSIT, Michal KNOR, Kateřina MARKOVÁ, Jaromír MAREK, Pia Yasmine JURČEK, Ondřej JURČEK and Radek MAREK. Flipping hosts in hyperfine fields of paramagnetic guests. Cell Reports Physical Science. Cell Press, 2023, vol. 4, No 7, p. 101461-101475. ISSN 2666-3864. Available from: https://dx.doi.org/10.1016/j.xcrp.2023.101461.

CHYBA, Jan, Anna HRUZÍKOVÁ, Michal KNOR, Petra PIKULOVÁ, Kateřina MARKOVÁ, Jan NOVOTNÝ and Radek MAREK. Nature of NMR Shifts in Paramagnetic Octahedral Ru(III) Complexes with Axial Pyridine-Based Ligands. Inorganic Chemistry. American Chemical Society, 2023, vol. 62, No 8, p. 3381-3394. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.2c03282.

PIKULOVÁ, Petra, Debora MISENKOVA, Radek MAREK, Stanislav KOMOROVSKY and Jan NOVOTNÝ. Quadratic Spin–Orbit Mechanism of the Electronic g-Tensor. Journal of Chemical Theory and Computation. American Chemical Society, 2023, vol. 19, No 6, p. 1765-1776. ISSN 1549-9618. Available from: https://dx.doi.org/10.1021/acs.jctc.2c01213.

NOVOTNÝ, Jan and Radek MAREK. 36th NMR Valtice. 2023.

PIKULOVÁ, Petra, Pia Yasmine JURČEK, Jan CHYBA, Michal KNOR, Anna HRUZÍKOVÁ, Jan NOVOTNÝ and Radek MAREK. Calculations of paramagnetic NMR chemical shifts in supramolecular host-guest systems of Ru(III) complexes. In 35th Central European NMR Meeting, VALTICE, 2022. 2022. ISBN 978-80-263-1717-3.

PIKULOVÁ, Petra, Pia Yasmine JURČEK, Jan CHYBA, Michal KNOR, Anna HRUZÍKOVÁ, Jan NOVOTNÝ and Radek MAREK. Hyperfine chemical shift in host-guest systems of Ru(III) with macrocycles. In EUROMAR 2022. 2022.

CUYACOT, Ben Joseph Rubiato, Jan NOVOTNÝ, Raphael J. F. BERGER, Stanislav KOMOROVSKY and Radek MAREK. Relativistic Spin–Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom. Chemistry - A European Journal. Wiley-VCH, 2022, vol. 28, No 24, p. "e202200277", 7 pp. ISSN 0947-6539. Available from: https://dx.doi.org/10.1002/chem.202200277.

NOVOTNÝ, Jan and Radek MAREK. 35th NMR Valtice. 2022.

NOVOTNÝ, Jan, Lukáš JEREMIAS, Patrick René NIMAX, Stanislav KOMOROVSKY, Ivo HEINMAA and Radek MAREK. Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes. Inorganic Chemistry. American Chemical Society, 2021, vol. 60, No 13, p. 9368-9377. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.1c00204.

TOMEČEK, Josef, Andrea ČABLOVÁ, Aneta HROMÁDKOVÁ, Jan NOVOTNÝ, Radek MAREK, Ivo DURNÍK, Petr KULHÁNEK, Zdeňka PRUCKOVÁ, Michal ROUCHAL, Lenka DASTYCHOVÁ and Robert VÍCHA. Modes of Micromolar Host-Guest Binding of beta-Cyclodextrin Complexes Revealed by NMR Spectroscopy in Salt Water. The Journal of Organic Chemistry. American Chemical Society, 2021, vol. 86, No 6, p. 4483-4496. ISSN 0022-3263. Available from: https://dx.doi.org/10.1021/acs.joc.0c02917.

NOVOTNÝ, Aleš, Jan NOVOTNÝ, Iva KEJNOVSKÁ, Michaela VORLÍČKOVÁ, Radovan FIALA and Radek MAREK. Revealing structural peculiarities of homopurine GA repetition stuck by i-motif clip. Nucleic Acids Research. Oxford: Oxford University Press, 2021, vol. 49, No 20, p. 11425-11437. ISSN 0305-1048. Available from: https://dx.doi.org/10.1093/nar/gkab915.

SOJKA, Martin, Jan CHYBA, Shib Shankar PAUL, Karolina WAWROCKA, Kateřina HÖNIGOVÁ, Ben Joseph Rubiato CUYACOT, Abril Carolina Castro AGUILERA, Tomáš VACULOVIČ, Jaromír MAREK, Michal REPISKY, Michal MASAŘÍK, Jan NOVOTNÝ and Radek MAREK. Supramolecular Coronation of Platinum(II) Complexes by Macrocycles: Structure, Relativistic DFT Calculations, and Biological Effects. Inorganic Chemistry. Washington: American Chemical Society, 2021, vol. 60, No 23, p. 17911-17925. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.1c02467.

VÍCHA, Jan, Jan NOVOTNÝ, Stanislav KOMOROVSKY, Michal STRAKA, Martin KAUPP and Radek MAREK. Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table. Chemical Reviews. American Chemical Society, 2020, vol. 120, No 15, p. 7065-7103. ISSN 0009-2665. Available from: https://dx.doi.org/10.1021/acs.chemrev.9b00785.

MALALI, Sanaz, Jan CHYBA, Michal KNOR, Michal HORNÍ, Marek NEČAS, Jan NOVOTNÝ and Radek MAREK. Zwitterionic Ru(III) Complexes: Stability of Metal-Ligand Bond and Host-Guest Binding with Cucurbit[7]uril. Inorganic Chemistry. American Chemical Society, 2020, vol. 59, No 14, p. 10185-10196. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.0c01328.

BORA, Pankaj Lochan, Jan NOVOTNÝ, Kenneth RUUD, Stanislav KOMOROVSKY and Radek MAREK. Electron-Spin Structure and Metal-Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts. Journal of Chemical Theory and Computation. American Chemical Society, 2019, vol. 15, No 1, p. 201-214. ISSN 1549-9618. Available from: https://dx.doi.org/10.1021/acs.jctc.8b00914.

MAREK, Radek and Jan NOVOTNÝ. 34th NMR Valtice. 2019.

NOVOTNÝ, Jan, Martin SOJKA, Stanislav KOMOROVSKY, Marek NEČAS and Radek MAREK. Cena Petra Sedmery za rok 2018 (Petr Sedmera Award 2018). Spektroskopická společnost Jana Marka Marci, 2018.

NOVOTNÝ, Jan, David PŘICHYSTAL, Martin SOJKA, Stanislav KOMOROVSKY, Marek NEČAS and Radek MAREK. Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3-Substituted Pyridines. Inorganic Chemistry. Washington: American Chemical Society, 2018, vol. 57, No 2, p. 641-652. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.7b02440.

JEREMIAS, Lukáš, Jan NOVOTNÝ, Michal REPISKY, Stanislav KOMOROVSKY and Radek MAREK. Hyperfine effects on the 13C NMR chemical shifts in Ru(III) compounds. In XIth Workshop on Modern Methods in Quantum Chemistry. 2018.

JEREMIAS, Lukáš, Jan NOVOTNÝ, Michal REPISKY, Stanislav KOMOROVSKY and Radek MAREK. Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes. Inorganic Chemistry. American Chemical Society, 2018, vol. 57, No 15, p. 8748-8759. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.8b00073.

CHYBA, Jan, Martin NOVÁK, Petra MUNZAROVÁ, Jan NOVOTNÝ and Radek MAREK. Through-Space Paramagnetic NMR Effects in Host-Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers. Inorganic Chemistry. American Chemical Society, 2018, vol. 57, No 15, p. 8735-8747. ISSN 0020-1669. Available from: https://dx.doi.org/10.1021/acs.inorgchem.7b03233.

MAREK, Radek and Jan NOVOTNÝ. 33rd NMR Valtice. 2018.

JEREMIAS, Lukáš, Jan NOVOTNÝ, Michal REPISKY, Stanislav KOMOROVSKY and Radek MAREK. Determination of the orbital and paramagnetic contributions to the 1H and 13C NMR chemical shifts of ruthenium(III) complexes. In 32nd NMR Valtice - Central European NMR Meeting. 2017.

PŘICHYSTAL, David, Jan NOVOTNÝ, Martin SOJKA, Marek NEČAS and Radek MAREK. INTERPRETING THE NMR SPECTRA OF PARAMAGNETIC Ru(III) METALLODRUGS. In 32nd NMR VALTICE. 2017. ISBN 978-80-86441-49-8.

NOVOTNÝ, Jan, Jan VÍCHA, Pankaj Lochan BORA, Michal REPISKY, Michal STRAKA, Stanislav KOMOROVSKY and Radek MAREK. Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling. Journal of Chemical Theory and Computation. Washington: American Chemical Society, 2017, vol. 13, No 8, p. 3586-3601. ISSN 1549-9618. Available from: https://dx.doi.org/10.1021/acs.jctc.7b00444.

PETERKOVÁ, Kateřina, Jan NOVOTNÝ and Radek MAREK. NMR STUDY OF BASE-MODIFIED G-QUADRUPLEXES. In 32nd NMR VALTICE. 2017. ISBN 978-80-86441-49-8.

NOVOTNÝ, Aleš, Jan NOVOTNÝ, Radovan FIALA and Radek MAREK. NMR STUDY OF d(CCCGAGA) i-MOTIF STRUCTURE. In 32nd NMR VALTICE. 2017. ISBN 978-80-86441-49-8.

BORA, Pankaj Lochan, Martin NOVÁK, Jan NOVOTNÝ, Cina FOROUTANNEJAD and Radek MAREK. Supramolecular Covalence in Bifurcated Chalcogen Bonding. Chemistry - A European Journal. Weinheim: Wiley, 2017, vol. 23, No 30, p. 7315-7323. ISSN 0947-6539. Available from: https://dx.doi.org/10.1002/chem.201700179.

YURENKO, Yevgen, Jan NOVOTNÝ and Radek MAREK. Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large-Scale Quantum Mechanics Analysis of Experimentally Derived Models. Chemistry - A European Journal. Weinheim: Wiley, 2017, vol. 23, No 23, p. 5573-5584. ISSN 0947-6539. Available from: https://dx.doi.org/10.1002/chem.201700236.

NOVOTNÝ, Jan, Martin SOJKA, Stanislav KOMOROVSKY, Marek NEČAS and Radek MAREK. Interpreting the paramagnetic NMR spectra of potential Ru(III) metallodrugs: Synergy between experiment and relativistic DFT calculations. Journal of the American Chemical Society. Washington: American Chemical Society, 2016, vol. 138, No 27, p. 8432-8445. ISSN 0002-7863. Available from: https://dx.doi.org/10.1021/jacs.6b02749.

NOVOTNÝ, Jan, Sophia BAZZI, Radek MAREK and Jiří KOZELKA. Lone-pair–pi interactions: analysis of the physical origin and biolological implications. Physical Chemistry Chemical Physics. Royal Society of Chemistry, 2016, vol. 18, No 28, p. 19472-19481. ISSN 1463-9076. Available from: https://dx.doi.org/10.1039/C6CP01524G.

YURENKO, Yevgen, Jan NOVOTNÝ, Tymofii NIKOLAIENKO and Radek MAREK. Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2016, vol. 18, No 3, p. 1615-1628. ISSN 1463-9076. Available from: https://dx.doi.org/10.1039/C5CP05478H.

SOJKA, Martin, Jan NOVOTNÝ, Radek MAREK and Marek NEČAS. Synthesis and NMR study of paramagnetic pyridine-based NAMI-A-type ruthenium complexes. In 42nd International Conference on Coordination Chemistry, 2016, Brest, France. 2016.

BAZZI, Sophia, Jan NOVOTNÝ, Yevgen YURENKO and Radek MAREK. Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands. Chemistry - A European Journal. Weinheim: Wiley-VCH, 2015, vol. 21, No 26, p. 9414-9425. ISSN 0947-6539. Available from: https://dx.doi.org/10.1002/chem.201500743.

NOVOTNÝ, Jan, Yevgen YURENKO and Radek MAREK. Designing Nucleic Acid Bases for Quadruplexes. In Modeling Interactions in Biomolecules VII. 2015. ISBN 978-80-7378-303-7.

LACINA, Karel, Jan NOVOTNÝ, Zdeněk MORAVEC and Petr SKLÁDAL. Interaction of ferroceneboronic acid with diols at aqueous and non-aqueous conditions - signalling and binding abilities of an electrochemical probe for saccharides. Electrochimica Acta. Oxford: PERGAMON-ELSEVIER SCIENCE LTD, 2015, vol. 153, january, p. 280-286. ISSN 0013-4686. Available from: https://dx.doi.org/10.1016/j.electacta.2014.12.009.

NOVOTNÝ, Jan, Martin SOJKA, Marek NEČAS and Radek MAREK. Paramagnetic NMR of Ru(III) Metallodrugs. In SMASH 2015. 2015.

NOVOTNÝ, Jan, Martin SOJKA, Marek NEČAS and Radek MAREK. Paramagnetic NMR of ruthenium drugs. 2015. ISBN 978-80-86441-46-7.

VÍCHA, Jan, Jan NOVOTNÝ, Michal STRAKA, Michal REPISKY, Kenneth RUUD, Stanislav KOMOROVSKY and Radek MAREK. Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2015, vol. 17, No 38, p. 24944-24955. ISSN 1463-9076. Available from: https://dx.doi.org/10.1039/C5CP04214C.

YURENKO, Yevgen, Jan NOVOTNÝ, Vladimír SKLENÁŘ and Radek MAREK. Substituting CF2 for O4' in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions. Chemistry - A European Journal. WEINHEIM: Wiley, 2015, vol. 21, No 49, p. 17933-17943. ISSN 0947-6539. Available from: https://dx.doi.org/10.1002/chem.201502977.

NOVOTNÝ, Jan, Aleš CÍRKVA, Milena TUREČKOVÁ and Radek MAREK. 30th NMR Valtice - Central European NMR Meeting. 2015.

LACINA, Karel, Martin KONHEFR, Jan NOVOTNÝ, David POTĚŠIL, Zbyněk ZDRÁHAL and Petr SKLÁDAL. Combining ferrocene, thiophene and a boronic acid: a hybrid ligand for reagentless electrochemical sensing of cis-diols. Tetrahedron Letters. Oxford: Pergamon Press, 2014, vol. 55, No 21, p. 3235-3238. ISSN 0040-4039. Available from: https://dx.doi.org/10.1016/j.tetlet.2014.04.036.

YURENKO, Yevgen, Jan NOVOTNÝ, Vladimír SKLENÁŘ and Radek MAREK. Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: A comprehensive quantum chemical approach. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2014, vol. 16, No 5, p. 2072-2084. ISSN 1463-9076. Available from: https://dx.doi.org/10.1039/C3CP53875C.

YURENKO, Yevgen, Jan NOVOTNÝ, Mariusz P. MITORAJ, Vladimír SKLENÁŘ, Artur MICHALAK and Radek MAREK. Nucleic acid quadruplexes based on 8-halo-9-deazaxanthines: Energetics and non-covalent interactions in quadruplex stems. Journal of Chemical Theory and Computation. Washington D.C.: American Chemical Society, 2014, vol. 10, No 12, p. 5353-5365. ISSN 1549-9618. Available from: https://dx.doi.org/10.1021/ct5007554.

NOVOTNÝ, Jan, Yevgen YURENKO, Petr KULHÁNEK and Radek MAREK. Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2014, vol. 16, No 29, p. 15241-15248. ISSN 1463-9076. Available from: https://dx.doi.org/10.1039/C4CP00541D.

MAREK, Radek, Jan NOVOTNÝ, Cina FOROUTANNEJAD, Aleš CÍRKVA and Milena TUREČKOVÁ. 29th NMR Valtice - Central European NMR Meeting. 2014.

PŘECECHTĚLOVÁ, Jana, Markéta MUNZAROVÁ, Juha VAARA, Jan NOVOTNÝ, Martin DRAČÍNSKÝ and Vladimír SKLENÁŘ. Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations. Journal of Chemical Theory and Computation. WASHINGTON: AMER CHEMICAL SOC, 2013, vol. 9, No 3, p. 1641-1656. ISSN 1549-9618. Available from: https://dx.doi.org/10.1021/ct300488y.

NOVOTNÝ, Jan, Petr KULHÁNEK and Radek MAREK. Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels. The Journal of Physical Chemistry Letters. Washington: American Chemical Society, 2012, vol. 3, No 13, p. 1788-1792. ISSN 1948-7185. Available from: https://dx.doi.org/10.1021/jz300559w.

SOUČEK, Miroslav, Jindřich ŠPINAR, Jiří VORLÍČEK, Zdeněk ADAM, Dagmar ADÁMKOVÁ KRÁKOROVÁ, Lenka BABIČKOVÁ, Karola BALŠÍKOVÁ, Drahomíra BARTOŠOVÁ, Otakar BEDNAŘÍK, Richard BERGER, Šárka BOHATÁ, Petr BRHEL, Tomáš BRYCHTA, Yvona BRYCHTOVÁ, Alena BULIKOVÁ, Petr BURKOŇ, Ivan ČAPOV, Aleš ČERMÁK, Eva ČEŠKOVÁ, Milan DASTYCH, Regina DEMLOVÁ, Petr DÍTĚ, Jiří DOLINA, Michael DOUBEK, Martina DOUBKOVÁ, Lenka DUBSKÁ, Ladislav DUŠEK, Pavel FABIAN, Vuk FAIT, Zdeněk FOJTÍK, Lenka FORETOVÁ, Tomáš FREIBERGER, Renata GAILLYOVÁ, Roman GÁL, Ladislav GROCH, Marek HAKL, Jana HALÁMKOVÁ, Aleš HEP, Jitka HILLOVÁ MANNOVÁ, Ota HLINOMAZ, Ivo HOFÍREK, Jan HOLČÍK, Alena HOLČÍKOVÁ, Alena HONDLOVÁ, Anna HRAZDIROVÁ, Jan HRUDA, Petr HUSA, Libuše HUSOVÁ, Richard CHALOUPKA, Václav CHALOUPKA, Josef CHOVANEC, Stanislav JANOUŠEK, Jana JURÁNKOVÁ, Ladislav KABELKA, Zdeněk KADAŇKA, Bohdan KADLEC, Zdeněk KALA, Bohuslav KIANIČKA, Dagmar KINDLOVÁ, Igor KISS, Jarmila KISSOVÁ, Martin KLABUSAY, Ivo KOCÁK, Jiří KÖNIG, Jana KOPTÍKOVÁ, Zdeněk KOŘÍSTEK, Zdeněk KRÁL, Milan KRATOCHVÍL, Lenka KRBKOVÁ, Marta KREJČÍ, Petr KRIFTA, Petr KROUPA, Darja KRUSOVÁ, Lucie KŘIKAVOVÁ, Růžena LÁBROVÁ, Radek LAKOMÝ, Jan LATA, Jolana LIPOLDOVÁ, Jiří LITZMAN, Ondřej LUDKA, Jan MALÁSKA, Hana MATĚJOVSKÁ KUBEŠOVÁ, Jiří MATOUŠEK, Pavel MATUŠKA, Miloslava MATÝŠKOVÁ, Jaroslav MELUZÍN, Hana MELUZÍNOVÁ, Zdeněk MERTA, Blanka MIČÁNKOVÁ ADAMOVÁ, Miroslav MORÁŇ, Vojtěch MORNSTEIN, Jan MUŽÍK, Tomáš NEBESKÝ, Anna NEČASOVÁ, Marta NEDBÁLKOVÁ, Miroslava NEKULOVÁ, Petr NĚMEC, Jiří NEUBAUER, Pavel NOHEL, Jana BĚLOBRÁDKOVÁ, Miroslav NOVÁK, Bronislava NOVOTNÁ, Petr ŠTOURAČ and Vojtěch THON. Vnitřní lékařství (Internal Medicine). 1.vyd. Praha, Brno: Grada, 2011, 1788 pp. Vnitřní lékařství. ISBN 978-80-247-2110-1.