Výpis publikací

PARVEEN, Kumar, Rautiainen MIKKO, Jan NOVOTNÝ, Ward JAS S., Radek MAREK, Rissanen KARI a 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, roč. 30, č. 13, s. 1-10. ISSN 0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.202303643.

KOZELKA, Jiří, Yevgen YURENKO, Jan NOVOTNÝ a 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 a Radek MAREK. Flipping hosts in hyperfine fields of paramagnetic guests. Cell Reports Physical Science. Cell Press, 2023, roč. 4, č. 7, s. 101461-101475. ISSN 2666-3864. Dostupné z: https://dx.doi.org/10.1016/j.xcrp.2023.101461.

CHYBA, Jan, Anna HRUZÍKOVÁ, Michal KNOR, Petra PIKULOVÁ, Kateřina MARKOVÁ, Jan NOVOTNÝ a Radek MAREK. Nature of NMR Shifts in Paramagnetic Octahedral Ru(III) Complexes with Axial Pyridine-Based Ligands. Inorganic Chemistry. American Chemical Society, 2023, roč. 62, č. 8, s. 3381-3394. ISSN 0020-1669. Dostupné z: https://dx.doi.org/10.1021/acs.inorgchem.2c03282.

PIKULOVÁ, Petra, Debora MISENKOVA, Radek MAREK, Stanislav KOMOROVSKY a Jan NOVOTNÝ. Quadratic Spin–Orbit Mechanism of the Electronic g-Tensor. Journal of Chemical Theory and Computation. American Chemical Society, 2023, roč. 19, č. 6, s. 1765-1776. ISSN 1549-9618. Dostupné z: https://dx.doi.org/10.1021/acs.jctc.2c01213.

PIKULOVÁ, Petra, Pia Yasmine JURČEK, Jan CHYBA, Michal KNOR, Anna HRUZÍKOVÁ, Jan NOVOTNÝ a 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 a 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 a 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, roč. 28, č. 24, s. "e202200277", 7 s. ISSN 0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.202200277.

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

NOVOTNÝ, Jan, Lukáš JEREMIAS, Patrick René NIMAX, Stanislav KOMOROVSKY, Ivo HEINMAA a Radek MAREK. Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes. Inorganic Chemistry. American Chemical Society, 2021, roč. 60, č. 13, s. 9368-9377. ISSN 0020-1669. Dostupné z: 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 a 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, roč. 86, č. 6, s. 4483-4496. ISSN 0022-3263. Dostupné z: https://dx.doi.org/10.1021/acs.joc.0c02917.

NOVOTNÝ, Aleš, Jan NOVOTNÝ, Iva KEJNOVSKÁ, Michaela VORLÍČKOVÁ, Radovan FIALA a Radek MAREK. Revealing structural peculiarities of homopurine GA repetition stuck by i-motif clip. Nucleic Acids Research. Oxford: Oxford University Press, 2021, roč. 49, č. 20, s. 11425-11437. ISSN 0305-1048. Dostupné z: 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 a Radek MAREK. Supramolecular Coronation of Platinum(II) Complexes by Macrocycles: Structure, Relativistic DFT Calculations, and Biological Effects. Inorganic Chemistry. Washington: American Chemical Society, 2021, roč. 60, č. 23, s. 17911-17925. ISSN 0020-1669. Dostupné z: https://dx.doi.org/10.1021/acs.inorgchem.1c02467.

VÍCHA, Jan, Jan NOVOTNÝ, Stanislav KOMOROVSKY, Michal STRAKA, Martin KAUPP a Radek MAREK. Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table. Chemical Reviews. American Chemical Society, 2020, roč. 120, č. 15, s. 7065-7103. ISSN 0009-2665. Dostupné z: https://dx.doi.org/10.1021/acs.chemrev.9b00785.

MALALI, Sanaz, Jan CHYBA, Michal KNOR, Michal HORNÍ, Marek NEČAS, Jan NOVOTNÝ a 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, roč. 59, č. 14, s. 10185-10196. ISSN 0020-1669. Dostupné z: https://dx.doi.org/10.1021/acs.inorgchem.0c01328.

BORA, Pankaj Lochan, Jan NOVOTNÝ, Kenneth RUUD, Stanislav KOMOROVSKY a 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, roč. 15, č. 1, s. 201-214. ISSN 1549-9618. Dostupné z: https://dx.doi.org/10.1021/acs.jctc.8b00914.

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

NOVOTNÝ, Jan, Martin SOJKA, Stanislav KOMOROVSKY, Marek NEČAS a Radek MAREK. Cena Petra Sedmery za rok 2018. Spektroskopická společnost Jana Marka Marci, 2018.

NOVOTNÝ, Jan, David PŘICHYSTAL, Martin SOJKA, Stanislav KOMOROVSKY, Marek NEČAS a Radek MAREK. Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3-Substituted Pyridines. Inorganic Chemistry. Washington: American Chemical Society, 2018, roč. 57, č. 2, s. 641-652. ISSN 0020-1669. Dostupné z: https://dx.doi.org/10.1021/acs.inorgchem.7b02440.

JEREMIAS, Lukáš, Jan NOVOTNÝ, Michal REPISKY, Stanislav KOMOROVSKY a 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 a 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, roč. 57, č. 15, s. 8748-8759. ISSN 0020-1669. Dostupné z: https://dx.doi.org/10.1021/acs.inorgchem.8b00073.

CHYBA, Jan, Martin NOVÁK, Petra MUNZAROVÁ, Jan NOVOTNÝ a Radek MAREK. Through-Space Paramagnetic NMR Effects in Host-Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers. Inorganic Chemistry. American Chemical Society, 2018, roč. 57, č. 15, s. 8735-8747. ISSN 0020-1669. Dostupné z: https://dx.doi.org/10.1021/acs.inorgchem.7b03233.

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

JEREMIAS, Lukáš, Jan NOVOTNÝ, Michal REPISKY, Stanislav KOMOROVSKY a 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 a 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 a 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, roč. 13, č. 8, s. 3586-3601. ISSN 1549-9618. Dostupné z: https://dx.doi.org/10.1021/acs.jctc.7b00444.

PETERKOVÁ, Kateřina, Jan NOVOTNÝ a 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 a 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 a Radek MAREK. Supramolecular Covalence in Bifurcated Chalcogen Bonding. Chemistry - A European Journal. Weinheim: Wiley, 2017, roč. 23, č. 30, s. 7315-7323. ISSN 0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.201700179.

YURENKO, Yevgen, Jan NOVOTNÝ a 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, roč. 23, č. 23, s. 5573-5584. ISSN 0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.201700236.

NOVOTNÝ, Jan, Martin SOJKA, Stanislav KOMOROVSKY, Marek NEČAS a 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, roč. 138, č. 27, s. 8432-8445. ISSN 0002-7863. Dostupné z: https://dx.doi.org/10.1021/jacs.6b02749.

NOVOTNÝ, Jan, Sophia BAZZI, Radek MAREK a Jiří KOZELKA. Lone-pair–pi interactions: analysis of the physical origin and biolological implications. Physical Chemistry Chemical Physics. Royal Society of Chemistry, 2016, roč. 18, č. 28, s. 19472-19481. ISSN 1463-9076. Dostupné z: https://dx.doi.org/10.1039/C6CP01524G.

YURENKO, Yevgen, Jan NOVOTNÝ, Tymofii NIKOLAIENKO a Radek MAREK. Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2016, roč. 18, č. 3, s. 1615-1628. ISSN 1463-9076. Dostupné z: https://dx.doi.org/10.1039/C5CP05478H.

SOJKA, Martin, Jan NOVOTNÝ, Radek MAREK a 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 a Radek MAREK. Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands. Chemistry - A European Journal. Weinheim: Wiley-VCH, 2015, roč. 21, č. 26, s. 9414-9425. ISSN 0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.201500743.

NOVOTNÝ, Jan, Yevgen YURENKO a 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 a 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, roč. 153, january, s. 280-286. ISSN 0013-4686. Dostupné z: https://dx.doi.org/10.1016/j.electacta.2014.12.009.

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

NOVOTNÝ, Jan, Martin SOJKA, Marek NEČAS a 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 a 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, roč. 17, č. 38, s. 24944-24955. ISSN 1463-9076. Dostupné z: https://dx.doi.org/10.1039/C5CP04214C.

YURENKO, Yevgen, Jan NOVOTNÝ, Vladimír SKLENÁŘ a 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, roč. 21, č. 49, s. 17933-17943. ISSN 0947-6539. Dostupné z: https://dx.doi.org/10.1002/chem.201502977.

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

LACINA, Karel, Martin KONHEFR, Jan NOVOTNÝ, David POTĚŠIL, Zbyněk ZDRÁHAL a 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, roč. 55, č. 21, s. 3235-3238. ISSN 0040-4039. Dostupné z: https://dx.doi.org/10.1016/j.tetlet.2014.04.036.

YURENKO, Yevgen, Jan NOVOTNÝ, Vladimír SKLENÁŘ a 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, roč. 16, č. 5, s. 2072-2084. ISSN 1463-9076. Dostupné z: https://dx.doi.org/10.1039/C3CP53875C.

YURENKO, Yevgen, Jan NOVOTNÝ, Mariusz P. MITORAJ, Vladimír SKLENÁŘ, Artur MICHALAK a 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, roč. 10, č. 12, s. 5353-5365. ISSN 1549-9618. Dostupné z: https://dx.doi.org/10.1021/ct5007554.

NOVOTNÝ, Jan, Yevgen YURENKO, Petr KULHÁNEK a Radek MAREK. Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2014, roč. 16, č. 29, s. 15241-15248. ISSN 1463-9076. Dostupné z: https://dx.doi.org/10.1039/C4CP00541D.

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

PŘECECHTĚLOVÁ, Jana, Markéta MUNZAROVÁ, Juha VAARA, Jan NOVOTNÝ, Martin DRAČÍNSKÝ a 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, roč. 9, č. 3, s. 1641-1656. ISSN 1549-9618. Dostupné z: https://dx.doi.org/10.1021/ct300488y.

NOVOTNÝ, Jan, Petr KULHÁNEK a Radek MAREK. Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels. The Journal of Physical Chemistry Letters. Washington: American Chemical Society, 2012, roč. 3, č. 13, s. 1788-1792. ISSN 1948-7185. Dostupné z: 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 a Vojtěch THON. Vnitřní lékařství. 1.vyd. Praha, Brno: Grada, 2011, 1788 s. Vnitřní lékařství. ISBN 978-80-247-2110-1.