Masaryk University

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    2024

    1. 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.
      DOI: 10.1021/acs.inorgchem.3c04425
      RIV: Article in a journal. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Munzarová, Markéta (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: EPR;pNMR;hyperfine interaction;Fermi contact;pi-conjugation;sigma-hyperconjugation
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 27/5/2024 15:33.
    2. 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.
      DOI: 10.1021/acs.accounts.3c00786
      RIV: Article in a journal. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR spectroscopy;DFT calculations;hyperfine interaction;Fermi contact;paramagnetic spin-orbit;spin0-dipolar
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 27/5/2024 15:34.
    3. 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.
      DOI: 10.1002/chem.202303643
      RIV: Article in a journal. English. Germany.
      Parveen, Kumar (356 India) -- Mikko, Rautiainen (246 Finland) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Jas S., Ward (826 United Kingdom of Great Britain and Northern Ireland) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution) -- Kari, Rissanen (246 Finland) -- Rakesh, Puttreddy (246 Finland)
      Keywords in English: silver(I); halogen(I); pyridine; NMR shift; 15N NMR; DFT; relativistic effects; XRD; diffraction
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 19/3/2024 08:20.
    4. NOVOTNÝ, Jan and Radek MAREK. 37th Central European NMR Meeting, NMR Valtice 2024. 2024.
      NMR Valtice
      RIV: Organization of a conference. English. Czech Republic.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR spectroscopy

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 27/8/2024 12:37.

    2023

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

      Changed by: Mgr. Marie Šípková, DiS., učo 437722. Changed: 18/3/2024 09:22.
    2. 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.
      DOI: 10.1016/j.xcrp.2023.101461
      RIV/00216224:14740/23:00131273 Article in a journal. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Chyba, Jan (203 Czech Republic, belonging to the institution) -- Hruzíková, Anna (203 Czech Republic, belonging to the institution) -- Pikulová, Petra (203 Czech Republic, belonging to the institution) -- Kursit, Aliaksandra (112 Belarus, belonging to the institution) -- Knor, Michal (203 Czech Republic, belonging to the institution) -- Marková, Kateřina (203 Czech Republic, belonging to the institution) -- Marek, Jaromír (203 Czech Republic, belonging to the institution) -- Jurček, Pia Yasmine (246 Finland, belonging to the institution) -- Jurček, Ondřej (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR spectroscopy; magnetic properties; inclusion compound; host-guest system; cyclodextrinhyperfine interaction; molecular recognition; mode of binding
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Eva Dubská, učo 77638. Changed: 6/4/2024 13:30.
    3. 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.
      DOI: 10.1021/acs.inorgchem.2c03282
      RIV/00216224:14740/23:00130308 Article in a journal. English. United States of America.
      Chyba, Jan (203 Czech Republic, belonging to the institution) -- Hruzíková, Anna (203 Czech Republic, belonging to the institution) -- Knor, Michal (203 Czech Republic, belonging to the institution) -- Pikulová, Petra (203 Czech Republic, belonging to the institution) -- Marková, Kateřina (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR spectroscopy;hyperfine interaction;ruthenium(III);relativistic DFT;stability
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Eva Dubská, učo 77638. Changed: 14/4/2024 12:43.
    4. 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.
      DOI: 10.1021/acs.jctc.2c01213
      RIV/00216224:14740/23:00130431 Article in a journal. English. United States of America.
      Pikulová, Petra (203 Czech Republic, belonging to the institution) -- Misenkova, Debora (703 Slovakia) -- Marek, Radek (203 Czech Republic, belonging to the institution) -- Komorovsky, Stanislav (703 Slovakia) -- Novotný, Jan (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: Electron paramagnetic resonance; g tensor; spin-orbit coupling; MO theory
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Eva Dubská, učo 77638. Changed: 7/3/2024 10:12.
    5. NOVOTNÝ, Jan and Radek MAREK. 36th Central European NMR Meeting, NMR Valtice 2023. 2023.
      NMR Valtice
      RIV: Organization of a conference. English. Czech Republic.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR spectroscopy

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 27/8/2024 12:46.

    2022

    1. 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.
      English. Czech Republic.
      Keywords in English: paramagnetic NMR, hyperfine shift, Ru(III) complexes, host-guest systems, cucurbit[7]uril, cyclodextrin
      Type of participation: active participation (giving a lecture, organization, etc.)

      Changed by: Mgr. Petra Pikulová, učo 484677. Changed: 28/5/2022 10:56.
    2. 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.

      Keywords in English: pNMR, hyperfine shift, relativistic DFT, supramolecules, Ru(III), host-guest, cucurbit[7]uril, cyclodextrin
      Type of participation: active participation (giving a lecture, organization, etc.)
      International impact: yes

      Changed by: Mgr. Petra Pikulová, učo 484677. Changed: 10/7/2022 22:59.
    3. 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.
      DOI: 10.1002/chem.202200277
      RIV/00216224:14740/22:00119735 Article in a journal. English. Germany.
      Cuyacot, Ben Joseph Rubiato (608 Philippines, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Berger, Raphael J. F. (40 Austria) -- Komorovsky, Stanislav (703 Slovakia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: spin-orbit coupling;electron charge density;bond distance;bond theory;quantum chemistry
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 13/2/2023 17:22.
    4. NOVOTNÝ, Jan and Radek MAREK. 35th NMR Valtice. 2022.
      URL
      RIV/00216224:14740/22:00129966 Organization of a conference. English. Czech Republic.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR; magnetic resonance; spectroscopy; imaging; solid-state NMR

      Changed by: Mgr. Eva Dubská, učo 77638. Changed: 4/4/2024 20:47.

    2021

    1. 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.
      DOI: 10.1021/acs.inorgchem.1c00204
      RIV/00216224:14740/21:00119015 Article in a journal. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Jeremias, Lukáš (203 Czech Republic, belonging to the institution) -- Nimax, Patrick René (276 Germany, belonging to the institution) -- Komorovsky, Stanislav (703 Slovakia) -- Heinmaa, Ivo (233 Estonia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR spectroscopy;paramagnetic NMR;solid-state;transition-metal comples;hyperfine interaction
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 26/2/2022 13:53.
    2. 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.
      URL
      RIV/00216224:14740/21:00118870 Article in a journal. English. United States of America.
      Tomeček, Josef (203 Czech Republic) -- Čablová, Andrea (203 Czech Republic) -- Hromádková, Aneta (203 Czech Republic) -- Novotný, Jan (203 Czech Republic, guarantor, belonging to the institution) -- Marek, Radek (203 Czech Republic, belonging to the institution) -- Durník, Ivo (203 Czech Republic, belonging to the institution) -- Kulhánek, Petr (203 Czech Republic, belonging to the institution) -- Prucková, Zdeňka (203 Czech Republic) -- Rouchal, Michal (203 Czech Republic) -- Dastychová, Lenka (203 Czech Republic) -- Vícha, Robert (203 Czech Republic)
      Keywords in English: host-guest complex;cyclodextrin;NMR spectroscopy;molecular modeling;binding;salt water
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 22/3/2022 18:53.
    3. 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.
      DOI: 10.1093/nar/gkab915
      RIV/00216224:14740/21:00122684 Article in a journal. English. United Kingdom of Great Britain and Northern Ireland.
      Novotný, Aleš (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Kejnovská, Iva (203 Czech Republic) -- Vorlíčková, Michaela (203 Czech Republic) -- Fiala, Radovan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: DNA; i-motif; duplex; NMR spectroscopy; CD; molecular dynamics
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 9/3/2022 10:51.
    4. 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.
      URL
      RIV/00216224:14740/21:00119323 Article in a journal. English. United States of America.
      Sojka, Martin (203 Czech Republic, belonging to the institution) -- Chyba, Jan (203 Czech Republic, belonging to the institution) -- Paul, Shib Shankar (356 India, belonging to the institution) -- Wawrocka, Karolina (616 Poland, belonging to the institution) -- Hönigová, Kateřina (203 Czech Republic, belonging to the institution) -- Cuyacot, Ben Joseph Rubiato (608 Philippines, belonging to the institution) -- Aguilera, Abril Carolina Castro (578 Norway, belonging to the institution) -- Vaculovič, Tomáš (203 Czech Republic, belonging to the institution) -- Marek, Jaromír (203 Czech Republic, belonging to the institution) -- Repisky, Michal (703 Slovakia) -- Masařík, Michal (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: metallodrug; supramolecule; host-guest complex; platinum; NMR; chemical shift; relativistic DFT; cytotoxicity; drug uptake
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 4/4/2022 10:52.

    2020

    1. 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.
      DOI: 10.1021/acs.chemrev.9b00785
      RIV/00216224:14740/20:00114188 Article in a journal. English. United States of America.
      Vícha, Jan (203 Czech Republic) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Komorovsky, Stanislav (703 Slovakia) -- Straka, Michal (203 Czech Republic) -- Kaupp, Martin (276 Germany) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR;magnetic resonance;spectroscopy;DFT;theoretical calculation;chemical shift;relativistic effects; spin-orbit coupling
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 8/3/2021 20:22.
    2. 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.
      DOI: 10.1021/acs.inorgchem.0c01328
      RIV/00216224:14740/20:00114221 Article in a journal. English. United States of America.
      Malali, Sanaz (364 Islamic Republic of Iran, belonging to the institution) -- Chyba, Jan (203 Czech Republic, belonging to the institution) -- Knor, Michal (203 Czech Republic, belonging to the institution) -- Horní, Michal (203 Czech Republic, belonging to the institution) -- Nečas, Marek (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: ruthenium(III) compound;cucurbit[7]uril;host-guest complex;NMR spectroscopy;paramagnetic;hyperfine shift;spin-dipole contribution
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 13/2/2023 17:20.

    2019

    1. 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.
      DOI: 10.1021/acs.jctc.8b00914
      RIV/00216224:14740/19:00107199 Article in a journal. English. United States of America.
      Bora, Pankaj Lochan (356 India, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Ruud, Kenneth (578 Norway) -- Komorovsky, Stanislav (703 Slovakia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: EPR; NMR; relativistic DFT; g-tensor; A-tensor; metal-ligand bond
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 26/2/2020 16:35.
    2. MAREK, Radek and Jan NOVOTNÝ. 34th NMR Valtice. 2019.
      NMR Valtice
      RIV/00216224:14740/19:00112981 Organization of a conference. English. Czech Republic.
      Marek, Radek (203 Czech Republic, guarantor, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution)
      Keywords in English: NMR; magnetic resonance; spectroscopy; imaging
      International impact: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 11/3/2020 18:21.

    2018

    1. 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.
      Cena Petra Sedmery
      Name (in English): Petr Sedmera Award 2018
      RIV/00216224:14740/18:00101212 Scientific or artistic work award. English. Czech Republic.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Sojka, Martin (203 Czech Republic, belonging to the institution) -- Komorovsky, Stanislav (703 Slovakia) -- Nečas, Marek (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR;paramagnetic;DFT
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 1/10/2018 10:58.
    2. 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.
      DOI: 10.1021/acs.inorgchem.7b02440
      RIV/00216224:14740/18:00100759 Article in a journal. Inorganic chemistry. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Přichystal, David (203 Czech Republic, belonging to the institution) -- Sojka, Martin (203 Czech Republic, belonging to the institution) -- Komorovsky, Stanislav (703 Slovakia) -- Nečas, Marek (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR spectroscopy; paramagnetic NMR; hyperfine coupling; spin density; Fermi-contact; spin-dipole; paramagnetic spin-orbit
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 5/3/2019 09:32.
    3. 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.
      RIV/00216224:14740/18:00101565 Presentations at conferences. English. Austria.
      Jeremias, Lukáš (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Repisky, Michal (703 Slovakia) -- Komorovsky, Stanislav (703 Slovakia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: pNMR; rutenium(III); DFT

      Changed by: RNDr. Lukáš Jeremias, Ph.D., učo 175537. Changed: 14/1/2019 16:01.
    4. 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.
      DOI: 10.1021/acs.inorgchem.8b00073
      RIV/00216224:14740/18:00101065 Article in a journal. English. United States of America.
      Jeremias, Lukáš (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Repisky, Michal (703 Slovakia) -- Komorovsky, Stanislav (703 Slovakia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR chemical shift; paramagnetic NMR; hyperfine interaction; Fermi-contact; relativistic DFT; ruthenium
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 13/3/2019 13:38.
    5. 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.
      DOI: 10.1021/acs.inorgchem.7b03233
      RIV/00216224:14740/18:00100884 Article in a journal. English. United States of America.
      Chyba, Jan (203 Czech Republic, belonging to the institution) -- Novák, Martin (203 Czech Republic, belonging to the institution) -- Munzarová, Petra (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: host-guest complex; paramagnetic NMR; x-ray diffraction; relativistic DFT; ruthenium(III); metallodrug; macrocyclic carrier; cyclodextrin; cucurbut[n]uril
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 8/3/2019 16:20.
    6. MAREK, Radek and Jan NOVOTNÝ. 33rd NMR Valtice. 2018.
      NMR Valtice
      RIV/00216224:14740/18:00103839 Organization of a conference. English. Czech Republic.
      Marek, Radek (203 Czech Republic, guarantor, belonging to the institution) -- Novotný, Jan (203 Czech Republic)
      Keywords in English: NMR; magnetic resonance; spectroscopy; imaging
      International impact: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 1/10/2018 11:11.

    2017

    1. 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.
      RIV/00216224:14740/17:00095291 Presentations at conferences. Inorganic chemistry. English. Czech Republic.
      Jeremias, Lukáš (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Repisky, Michal (703 Slovakia) -- Komorovsky, Stanislav (703 Slovakia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: pNMR; rutenium(III); DFT

      Changed by: RNDr. Lukáš Jeremias, Ph.D., učo 175537. Changed: 31/12/2017 10:07.
    2. 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.
      RIV/00216224:14740/17:00113583 Conference abstract. English. Czech Republic.
      Přichystal, David (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Sojka, Martin (203 Czech Republic, belonging to the institution) -- Nečas, Marek (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR; paramagnetic RU(III) metallodrugs

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 7/4/2020 11:00.
    3. 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.
      DOI: 10.1021/acs.jctc.7b00444
      RIV/00216224:14740/17:00094827 Article in a journal. Physical chemistry and theoretical chemistry. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Vícha, Jan (203 Czech Republic) -- Bora, Pankaj Lochan (356 India, belonging to the institution) -- Repisky, Michal (703 Slovakia) -- Straka, Michal (203 Czech Republic, belonging to the institution) -- Komorovsky, Stanislav (703 Slovakia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR chemical shift; spin-orbit coupling; relativistic DFT; gold; platinum; mercury;
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 15/3/2018 10:23.
    4. 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.
      RIV/00216224:14740/17:00113580 Conference abstract. English. Czech Republic.
      Peterková, Kateřina (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR; G-QUADRUPLEXES

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 7/4/2020 09:51.
    5. 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.
      RIV/00216224:14740/17:00113582 Conference abstract. English. Czech Republic.
      Novotný, Aleš (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Fiala, Radovan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR; i-MOTIF

      Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 7/4/2020 10:51.
    6. 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.
      DOI: 10.1002/chem.201700179
      RIV/00216224:14740/17:00096314 Article in a journal. Physical chemistry and theoretical chemistry. English. Germany.
      Bora, Pankaj Lochan (356 India, belonging to the institution) -- Novák, Martin (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Foroutannejad, Cina (364 Islamic Republic of Iran, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: chalcogen bond;supramolecule;covalence;NBO;molecular orbitals;interacting quantum atoms;QTAIM
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 19/2/2018 08:35.
    7. 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.
      DOI: 10.1002/chem.201700236
      RIV/00216224:14740/17:00096192 Article in a journal. Physical chemistry and theoretical chemistry. English. Germany.
      Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: G-quadruplex; supramolecular; hydrogen bonding; stacking
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 19/2/2018 08:37.

    2016

    1. 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.
      DOI: 10.1021/jacs.6b02749
      RIV/00216224:14740/16:00087989 Article in a journal. Physical chemistry and theoretical chemistry. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Sojka, Martin (203 Czech Republic, belonging to the institution) -- Komorovsky, Stanislav (703 Slovakia) -- Nečas, Marek (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: paramagnetic NMR; ruthenium; chemical shift; contact shift; hyperfine coupling; DFT; spin density;
      International impact: yes
      Reviewed: yes

      Changed by: doc. Mgr. Marek Nečas, Ph.D., učo 18809. Changed: 13/3/2018 10:18.
    2. 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.
      DOI: 10.1039/C6CP01524G
      RIV/00216224:14310/16:00087988 Article in a journal. Physical chemistry and theoretical chemistry. English. United Kingdom of Great Britain and Northern Ireland.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Bazzi, Sophia (364 Islamic Republic of Iran, belonging to the institution) -- Marek, Radek (203 Czech Republic, belonging to the institution) -- Kozelka, Jiří (250 France, guarantor, belonging to the institution)
      Keywords in English: lone-pair-pi interaction; anion-pi; DFT; energy decomposition analysis
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 18/9/2019 14:45.
    3. 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.
      DOI: 10.1039/C5CP05478H
      RIV/00216224:14740/16:00089180 Article in a journal. Physical chemistry and theoretical chemistry. English. United Kingdom of Great Britain and Northern Ireland.
      Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Nikolaienko, Tymofii (804 Ukraine) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: nucleotides; conformational flexibility; relaxed force constants; torsion angle; fluorine
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Eva Špillingová, učo 110713. Changed: 17/3/2017 13:44.
    4. 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.
      URL
      Name in Czech: Syntéza a NMR studie paramagnetických ruthenitých komplexů typu NAMI-A s deriváty pyridinu
      Name (in English): Synthesis and NMR study of paramagnetic pyridine-based NAMI-A-type ruthenium complexes
      RIV/00216224:14740/16:00088735 Conference abstract. Inorganic chemistry. English. France.
      Sojka, Martin (203 Czech Republic, guarantor, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, belonging to the institution) -- Nečas, Marek (203 Czech Republic, belonging to the institution)
      Keywords in English: paramagnetic NMR; ruthenium; chemical shift; ruthenium complexes; NAMI
      Type of participation: active participation (giving a lecture, organization, etc.)
      International impact: yes

      Changed by: Mgr. Martin Sojka, Ph.D., učo 259373. Changed: 2/3/2017 11:13.

    2015

    1. 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.
      DOI: 10.1002/chem.201500743
      RIV/00216224:14740/15:00082881 Article in a journal. Physical chemistry and theoretical chemistry. English. Germany.
      Bazzi, Sophia (364 Islamic Republic of Iran, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: Density functional calculations; DNA; G-quadruplexes; ligand design; nucleobases
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Eva Špillingová, učo 110713. Changed: 29/3/2016 14:49.
    2. 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.
      RIV/00216224:14740/15:00083956 Requested lectures. Physical chemistry and theoretical chemistry. English. Czech Republic.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: biomolecule; molecular modeling; quantum chemistry; energy decomposition; binding energy
      Type of participation: requested lecture
      International impact: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 23/9/2015 15:46.
    3. 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.
      URL
      RIV/00216224:14740/15:00082937 Article in a journal. Electrochemistry. English. United Kingdom of Great Britain and Northern Ireland.
      Lacina, Karel (203 Czech Republic, guarantor, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Moravec, Zdeněk (203 Czech Republic, belonging to the institution) -- Skládal, Petr (203 Czech Republic, belonging to the institution)
      Keywords in English: Ferroceneboronic acid; Lewis acid; Non-aqueous environment; Binding properties; Detection of saccharides
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Eva Špillingová, učo 110713. Changed: 29/3/2016 16:34.
    4. NOVOTNÝ, Jan, Martin SOJKA, Marek NEČAS and Radek MAREK. Paramagnetic NMR of Ru(III) Metallodrugs. In SMASH 2015. 2015.
      URL
      Name in Czech: NMR spektroskopie paramagnetických metalloléčiv na bázi Ru(III)
      Name (in English): Paramagnetic NMR of Ru(III) Metallodrugs
      RIV/00216224:14740/15:00087837 Presentations at conferences. Physical chemistry and theoretical chemistry. English. Italy.
      Novotný, Jan (203 Czech Republic, guarantor, belonging to the institution) -- Sojka, Martin (203 Czech Republic, belonging to the institution) -- Nečas, Marek (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, belonging to the institution)
      Keywords in English: paramagnetic NMR; ruthenium; chemical shift
      Type of participation: active participation (giving a lecture, organization, etc.)
      International impact: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 7/5/2016 13:00.
    5. NOVOTNÝ, Jan, Martin SOJKA, Marek NEČAS and Radek MAREK. Paramagnetic NMR of ruthenium drugs. 2015. ISBN 978-80-86441-46-7.
      RIV/00216224:14740/15:00080761 Presentations at conferences. Physical chemistry and theoretical chemistry. English. Czech Republic.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Sojka, Martin (203 Czech Republic, belonging to the institution) -- Nečas, Marek (203 Czech Republic, guarantor, belonging to the institution) -- Marek, Radek (203 Czech Republic, belonging to the institution)
      Keywords in English: NMR; paramagnetic; ruthenium; drug; temperature dependence; hyperfine interaction
      Type of participation: active participation (giving a lecture, organization, etc.)

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 22/11/2015 19:26.
    6. 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.
      DOI: 10.1039/C5CP04214C
      RIV/00216224:14740/15:00080968 Article in a journal. Physical chemistry and theoretical chemistry. English. United Kingdom of Great Britain and Northern Ireland.
      Vícha, Jan (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Straka, Michal (203 Czech Republic, belonging to the institution) -- Repisky, Michal (703 Slovakia) -- Ruud, Kenneth (578 Norway) -- Komorovsky, Stanislav (703 Slovakia) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: Transition-metal complex; geometry; NMR chemical shift; relativistic DFT; gold; platinum
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 3/9/2016 18:14.
    7. 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.
      DOI: 10.1002/chem.201502977
      RIV/00216224:14740/15:00084338 Article in a journal. Physical chemistry and theoretical chemistry. English. Germany.
      Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Sklenář, Vladimír (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: density functional calculations; DNA; fluorinated compounds; G-quadruplexes; relaxed force constants
      International impact: yes
      Reviewed: yes

      Changed by: Martina Prášilová, učo 342282. Changed: 10/3/2016 12:15.
    8. NOVOTNÝ, Jan, Aleš CÍRKVA, Milena TUREČKOVÁ and Radek MAREK. 30th NMR Valtice - Central European NMR Meeting. 2015.
      NMR Valtice
      RIV/00216224:14740/15:00082747 Organization of a conference. Physical chemistry and theoretical chemistry. English. Czech Republic.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Církva, Aleš (203 Czech Republic, belonging to the institution) -- Turečková, Milena (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: NMR; MRI; metabolomics; biomolecular NMR; paramagnetic; theoretical calculation; experiment; solid-state NMR

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 22/11/2015 19:25.

    2014

    1. 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.
      URL
      RIV/00216224:14740/14:00073706 Article in a journal. Organic chemistry. English. United Kingdom of Great Britain and Northern Ireland.
      Lacina, Karel (203 Czech Republic, belonging to the institution) -- Konhefr, Martin (203 Czech Republic, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Potěšil, David (203 Czech Republic, belonging to the institution) -- Zdráhal, Zbyněk (203 Czech Republic, guarantor, belonging to the institution) -- Skládal, Petr (203 Czech Republic, belonging to the institution)
      Keywords in English: SELF-ASSEMBLED MONOLAYER; PHENYLBORONIC ACID; ELECTRODE SURFACE; GOLD ELECTRODE; SACCHARIDES; RECOGNITION; SENSORS; BINDING; SUGARS; DEHYDROGENASE
      International impact: yes
      Reviewed: yes

      Changed by: Martina Prášilová, učo 342282. Changed: 22/10/2014 16:54.
    2. 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.
      DOI: 10.1039/C3CP53875C
      RIV/00216224:14740/14:00074812 Article in a journal. Physical chemistry and theoretical chemistry. English. United Kingdom of Great Britain and Northern Ireland.
      Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Sklenář, Vladimír (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: DNA quadruplex; xanthine; guanine; tetrad; H-bonding; stacking; DFT-D3; Quantum Theory of Atoms in Molecules (QTAIM); Natural Bond Orbital (NBO) analysis; Compliance constant
      International impact: yes
      Reviewed: yes

      Changed by: Martina Prášilová, učo 342282. Changed: 14/10/2014 16:33.
    3. 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.
      DOI: 10.1021/ct5007554
      RIV/00216224:14740/14:00076936 Article in a journal. Physical chemistry and theoretical chemistry. English. United States of America.
      Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Mitoraj, Mariusz P. (616 Poland) -- Sklenář, Vladimír (203 Czech Republic, belonging to the institution) -- Michalak, Artur (616 Poland) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: nucleic acid; quadruplex; xanthine; halogen; energy of formation; hydrogen bonding; stacking; ion coordination
      International impact: yes
      Reviewed: yes

      Changed by: Martina Prášilová, učo 342282. Changed: 23/1/2015 09:29.
    4. 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.
      DOI: 10.1039/C4CP00541D
      RIV/00216224:14740/14:00075618 Article in a journal. Physical chemistry and theoretical chemistry. English. United Kingdom of Great Britain and Northern Ireland.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Yurenko, Yevgen (804 Ukraine, belonging to the institution) -- Kulhánek, Petr (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: Quadruplex; DNA; guanine; xanthine; 9-deaza-8-haloxanthine; density-functional theory; hydrogen-bonding; stacking; ion coordination; formation energy
      International impact: yes
      Reviewed: yes

      Changed by: Mgr. Marie Šípková, DiS., učo 437722. Changed: 10/12/2019 09:29.
    5. MAREK, Radek, Jan NOVOTNÝ, Cina FOROUTANNEJAD, Aleš CÍRKVA and Milena TUREČKOVÁ. 29th NMR Valtice - Central European NMR Meeting. 2014.
      NMR Valtice
      RIV/00216224:14310/14:00075648 Organization of a conference. Physical chemistry and theoretical chemistry. English. Czech Republic.
      Marek, Radek (203 Czech Republic, guarantor, belonging to the institution) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Foroutannejad, Cina (364 Islamic Republic of Iran, belonging to the institution) -- Církva, Aleš (203 Czech Republic, belonging to the institution) -- Turečková, Milena (203 Czech Republic, belonging to the institution)
      Keywords in English: NMR; paramagnetic; theoretical calculation; experiment; solid-state NMR; metabolomics; biomolecular NMR
      International impact: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 7/6/2014 13:38.

    2013

    1. 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.
      URL
      RIV/00216224:14740/13:00067940 Article in a journal. Physical chemistry and theoretical chemistry. English. United States of America.
      Přecechtělová, Jana (203 Czech Republic, belonging to the institution) -- Munzarová, Markéta (203 Czech Republic, guarantor, belonging to the institution) -- Vaara, Juha (246 Finland) -- Novotný, Jan (203 Czech Republic, belonging to the institution) -- Dračínský, Martin (203 Czech Republic) -- Sklenář, Vladimír (203 Czech Republic, belonging to the institution)
      Keywords in English: phosphorus chemical shift nucleic acids MD DFT

      Changed by: Olga Křížová, učo 56639. Changed: 8/4/2014 13:26.

    2012

    1. 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.
      DOI: 10.1021/jz300559w
      RIV/00216224:14740/12:00060331 Article in a journal. Physical chemistry and theoretical chemistry. English. United States of America.
      Novotný, Jan (203 Czech Republic, belonging to the institution) -- Kulhánek, Petr (203 Czech Republic, belonging to the institution) -- Marek, Radek (203 Czech Republic, guarantor, belonging to the institution)
      Keywords in English: molecular dynamics; guanine; adaptive biasing force; ion transport; free-energy
      International impact: yes
      Reviewed: yes

      Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 14/11/2017 08:32.

    2011

    1. 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.
      Name (in English): Internal Medicine
      RIV/00216224:14110/11:00054861 Book on a specialized topic. Other fields of internal medicine. Czech. Czech Republic.
      Souček, Miroslav (203 Czech Republic, guarantor, belonging to the institution) -- Špinar, Jindřich (203 Czech Republic, belonging to the institution) -- Vorlíček, Jiří (203 Czech Republic, belonging to the institution) -- Adam, Zdeněk (203 Czech Republic, belonging to the institution) -- Adámková Krákorová, Dagmar (203 Czech Republic, belonging to the institution) -- Babičková, Lenka (203 Czech Republic) -- Balšíková, Karola (203 Czech Republic, belonging to the institution) -- Bartošová, Drahomíra (203 Czech Republic) -- Bednařík, Otakar (203 Czech Republic, belonging to the institution) -- Berger, Richard (203 Czech Republic) -- Bohatá, Šárka (203 Czech Republic, belonging to the institution) -- Brhel, Petr (203 Czech Republic, belonging to the institution) -- Brychta, Tomáš (203 Czech Republic) -- Brychtová, Yvona (203 Czech Republic) -- Buliková, Alena (203 Czech Republic, belonging to the institution) -- Burkoň, Petr (203 Czech Republic, belonging to the institution) -- Čapov, Ivan (203 Czech Republic, belonging to the institution) -- Čermák, Aleš (203 Czech Republic, belonging to the institution) -- Češková, Eva (203 Czech Republic, belonging to the institution) -- Dastych, Milan (203 Czech Republic, belonging to the institution) -- Demlová, Regina (203 Czech Republic, belonging to the institution) -- Dítě, Petr (203 Czech Republic) -- Dolina, Jiří (203 Czech Republic, belonging to the institution) -- Doubek, Michael (203 Czech Republic, belonging to the institution) -- Doubková, Martina (203 Czech Republic, belonging to the institution) -- Dubská, Lenka (203 Czech Republic, belonging to the institution) -- Dušek, Ladislav (203 Czech Republic, belonging to the institution) -- Fabian, Pavel (203 Czech Republic, belonging to the institution) -- Fait, Vuk (203 Czech Republic, belonging to the institution) -- Fojtík, Zdeněk (203 Czech Republic, belonging to the institution) -- Foretová, Lenka (203 Czech Republic, belonging to the institution) -- Freiberger, Tomáš (203 Czech Republic, belonging to the institution) -- Gaillyová, Renata (203 Czech Republic, belonging to the institution) -- Gál, Roman (203 Czech Republic, belonging to the institution) -- Groch, Ladislav (203 Czech Republic) -- Hakl, Marek (203 Czech Republic, belonging to the institution) -- Halámková, Jana (203 Czech Republic, belonging to the institution) -- Hep, Aleš (203 Czech Republic, belonging to the institution) -- Hillová Mannová, Jitka (203 Czech Republic) -- Hlinomaz, Ota (203 Czech Republic) -- Hofírek, Ivo (203 Czech Republic) -- Holčík, Jan (203 Czech Republic, belonging to the institution) -- Holčíková, Alena (203 Czech Republic, belonging to the institution) -- Hondlová, Alena (203 Czech Republic) -- Hrazdirová, Anna (203 Czech Republic, belonging to the institution) -- Hruda, Jan (203 Czech Republic) -- Husa, Petr (203 Czech Republic, belonging to the institution) -- Husová, Libuše (203 Czech Republic) -- Chaloupka, Richard (203 Czech Republic, belonging to the institution) -- Chaloupka, Václav (203 Czech Republic) -- Chovanec, Josef (203 Czech Republic, belonging to the institution) -- Janoušek, Stanislav (203 Czech Republic) -- Juránková, Jana (203 Czech Republic) -- Kabelka, Ladislav (203 Czech Republic, belonging to the institution) -- Kadaňka, Zdeněk (203 Czech Republic, belonging to the institution) -- Kadlec, Bohdan (203 Czech Republic, belonging to the institution) -- Kala, Zdeněk (203 Czech Republic, belonging to the institution) -- Kianička, Bohuslav (203 Czech Republic, belonging to the institution) -- Kindlová, Dagmar (203 Czech Republic) -- Kiss, Igor (203 Czech Republic, belonging to the institution) -- Kissová, Jarmila (203 Czech Republic, belonging to the institution) -- Klabusay, Martin (203 Czech Republic, belonging to the institution) -- Kocák, Ivo (203 Czech Republic, belonging to the institution) -- König, Jiří (203 Czech Republic) -- Koptíková, Jana (203 Czech Republic, belonging to the institution) -- Kořístek, Zdeněk (203 Czech Republic, belonging to the institution) -- Král, Zdeněk (203 Czech Republic, belonging to the institution) -- Kratochvíl, Milan (203 Czech Republic) -- Krbková, Lenka (203 Czech Republic, belonging to the institution) -- Krejčí, Marta (203 Czech Republic, belonging to the institution) -- Krifta, Petr (203 Czech Republic) -- Kroupa, Petr (203 Czech Republic) -- Krusová, Darja (203 Czech Republic, belonging to the institution) -- Křikavová, Lucie (203 Czech Republic) -- Lábrová, Růžena (203 Czech Republic, belonging to the institution) -- Lakomý, Radek (203 Czech Republic, belonging to the institution) -- Lata, Jan (203 Czech Republic) -- Lipoldová, Jolana (203 Czech Republic) -- Litzman, Jiří (203 Czech Republic, belonging to the institution) -- Ludka, Ondřej (203 Czech Republic, belonging to the institution) -- Maláska, Jan (203 Czech Republic, belonging to the institution) -- Matějovská Kubešová, Hana (203 Czech Republic, belonging to the institution) -- Matoušek, Jiří (203 Czech Republic) -- Matuška, Pavel (203 Czech Republic) -- Matýšková, Miloslava (203 Czech Republic) -- Meluzín, Jaroslav (203 Czech Republic, belonging to the institution) -- Meluzínová, Hana (203 Czech Republic, belonging to the institution) -- Merta, Zdeněk (203 Czech Republic, belonging to the institution) -- Mičánková Adamová, Blanka (203 Czech Republic, belonging to the institution) -- Moráň, Miroslav (203 Czech Republic) -- Mornstein, Vojtěch (203 Czech Republic, belonging to the institution) -- Mužík, Jan (203 Czech Republic, belonging to the institution) -- Nebeský, Tomáš (203 Czech Republic) -- Nečasová, Anna (203 Czech Republic) -- Nedbálková, Marta (203 Czech Republic, belonging to the institution) -- Nekulová, Miroslava (203 Czech Republic) -- Němec, Petr (203 Czech Republic, belonging to the institution) -- Neubauer, Jiří (203 Czech Republic) -- Nohel, Pavel (203 Czech Republic) -- Bělobrádková, Jana (203 Czech Republic) -- Novák, Miroslav (203 Czech Republic) -- Novotná, Bronislava (203 Czech Republic, belonging to the institution) -- Štourač, Petr (203 Czech Republic, belonging to the institution) -- Thon, Vojtěch (203 Czech Republic, belonging to the institution)
      Keywords in English: cardiology; pneumology; gastroenterology; nephrology; oncology; hematology; endocrinology and metabolism; diabetology; immune system
      Reviewed: yes

      Changed by: Ing. Mgr. Věra Pospíšilíková, učo 9005. Changed: 19/7/2013 16:19.
Displayed: 5/10/2024 02:18