All Stories

  1. HALA effect NMR

    Article • Journal of Chemical Theory and Computation, April 2015, American Chemical Society (ACS)

    Professor Radek Marek, Dr Cina Foroutan-Nejad

  2. Comment on “Some Unexpected Behavior of the Adsorption of Alkali Metal Ions onto the Graphene Surface under the Effect of External Electric Field”

    Article • The Journal of Physical Chemistry C, March 2015, American Chemical Society (ACS)

    Dr Cina Foroutan-Nejad, Professor Radek Marek

  3. Nature of halogen bonding

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Cina Foroutan-Nejad, Professor Radek Marek

  4. Nucleic Acid Quadruplexes Based on 8-Halo-9-deazaxanthines: Energetics and Noncovalent Interactions in Quadruplex Stems

    Article • Journal of Chemical Theory and Computation, December 2014, American Chemical Society (ACS)

    Professor Radek Marek

  5. Loss of loop adenines alters human telomere d[AG3(TTAG3)3] quadruplex folding

    Article • Nucleic Acids Research, November 2014, Oxford University Press (OUP)

    Professor Radek Marek

  6. Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes

    Article • Chemistry - A European Journal, July 2014, Wiley

    Dr Cina Foroutan-Nejad, Professor Radek Marek

  7. Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths

    Article • Chemistry - A European Journal, July 2014, Wiley

    Dr Cina Foroutan-Nejad, Professor Radek Marek

  8. Origin of the Thermodynamic Stability of the Polymorph IV of Crystalline Barbituric Acid: Evidence from Solid-State NMR and Electron Density Analyses

    Article • Crystal Growth & Design, June 2014, American Chemical Society (ACS)

    Dr Cina Foroutan-Nejad, Professor Radek Marek

  9. Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide

    Article • Journal of Organometallic Chemistry, June 2014, Elsevier

    Professor Radek Marek

  10. Character of metal-ligand bonding reflected in HALA effects

    Article • Journal of Chemical Theory and Computation, April 2014, American Chemical Society (ACS)

    Professor Radek Marek

  11. Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Radek Marek

  12. Potential energy surface and binding energy in the presence of an external electric field: modulation of anion–π interactions for graphene-based receptors

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Cina Foroutan-Nejad, Professor Radek Marek

  13. Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Radek Marek

  14. All-Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters

    Article • Journal of Chemical Theory and Computation, November 2013, American Chemical Society (ACS)

    Dr Cina Foroutan-Nejad, Professor Radek Marek

  15. Catalytic oxidation of aromatic hydrocarbons by mono-oxido-alkoxidovanadium(V) complexes of ONNO donor ethylenediamine-bis(phenolate) ligands

    Article • Polyhedron, October 2013, Elsevier

    Professor Radek Marek

  16. Synthesis and Tautomerism of Substituted Pyrazolo[4,3-c]pyrazoles

    Article • European Journal of Organic Chemistry, September 2013, Wiley

    Professor Radek Marek

  17. Structure and NMR properties of 6-substituted-5,6-dihydrobenzo[c ]phenanthridine alkaloids

    Article • Journal of Physical Organic Chemistry, July 2013, Wiley

    Professor Radek Marek

  18. Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and 13 C NMR Chemical Shift Tensors

    Article • Journal of Chemical Theory and Computation, June 2013, American Chemical Society (ACS)

    Professor Radek Marek

  19. 129Xe NMR chemical shift in Xe@C60calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent

    Article • Journal of Computational Chemistry, May 2013, Wiley

    Professor Radek Marek

  20. Adamantane-bearing benzylamines and benzylamides: novel building blocks for supramolecular systems with finely tuned binding properties towards β-cyclodextrin

    Article • Supramolecular Chemistry, April 2013, Taylor & Francis

    Professor Radek Marek

  21. Origin of the Conformational Modulation of the 13 C NMR Chemical Shift of Methoxy Groups in Aromatic Natural Compounds

    Article • The Journal of Physical Chemistry A, January 2013, American Chemical Society (ACS)

    Professor Radek Marek

  22. Interpretation of Crystal Effects on NMR Chemical Shift Tensors: Electron and Shielding Deformation Densities

    Article • The Journal of Physical Chemistry A, January 2013, American Chemical Society (ACS)

    Professor Radek Marek

  23. A relativistic DFT methodology for calculating the structures and NMR chemical shifts of octahedral platinum and iridium complexes

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Radek Marek

  24. Understanding the NMR properties and conformational behavior of indole vs. azaindole group in protoberberines: NICS and NCS analysis

    Article • Journal of Molecular Structure, November 2012, Elsevier

    Professor Radek Marek

  25. Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels

    Article • The Journal of Physical Chemistry Letters, July 2012, American Chemical Society (ACS)

    Professor Radek Marek

  26. Platinum-Modified Adenines: Unprecedented Protonation Behavior Revealed by NMR Spectroscopy and Relativistic Density-Functional Theory Calculations

    Article • Inorganic Chemistry, February 2012, American Chemical Society (ACS)

    Professor Radek Marek

  27. Validation of Relativistic DFT Approaches to the Calculation of NMR Chemical Shifts in Square-Planar Pt 2+ and Au 3+ Complexes

    Article • Journal of Chemical Theory and Computation, December 2011, American Chemical Society (ACS)

    Professor Radek Marek

  28. Supramolecular Shuttle Based on Inclusion Complex between Cucurbit[6]uril and Bispyridinium Ethylene

    Article • Organic Letters, December 2011, American Chemical Society (ACS)

    Professor Radek Marek

  29. Novel adamantane-bearing anilines and properties of their supramolecular complexes with β-cyclodextrin

    Article • Supramolecular Chemistry, October 2011, Taylor & Francis

    Professor Radek Marek

  30. Natural Compound Cudraflavone B Shows Promising Anti-inflammatory Properties in Vitro

    Article • Journal of Natural Products, April 2011, American Chemical Society (ACS)

    Professor Radek Marek, Stefano Dall'Acqua

  31. Simulations of 129Xe NMR chemical shift of atomic xenon dissolved in liquid benzene

    Article • Theoretical Chemistry Accounts, April 2011, Springer Science + Business Media

    Professor Radek Marek

  32. A new isoflavanone from Iresine herbstii

    Article • Fitoterapia, March 2011, Elsevier

    Professor Radek Marek

  33. Unprecedented π⋯π interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Professor Radek Marek

  34. Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Michal Straka, Professor Radek Marek, Professor Michal Hocek

  35. Redistribution of electron density in pyridinium and pyrazinium guests induced by complexation with cucurbit[6]uril

    Article • New Journal of Chemistry, January 2011, Royal Society of Chemistry

    Professor Radek Marek

  36. Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings?

    Article • ChemPhysChem, December 2010, Wiley

    Professor Radek Marek

  37. Structural study of 8-azole derivatives of protoberberine alkaloids: experimental and quantum chemical approach

    Article • Tetrahedron, November 2010, Elsevier

    Professor Radek Marek

  38. Structural studies of homoisoflavonoids: NMR spectroscopy, X-ray diffraction, and theoretical calculations

    Article • Journal of Molecular Structure, August 2010, Elsevier

    Professor Radek Marek

  39. Interpretation of Indirect Nuclear Spin−Spin Couplings in Isomers of Adenine: Novel Approach to Analyze Coupling Electron Deformation Density Using Localized Molecular Orbitals

    Article • The Journal of Physical Chemistry A, June 2010, American Chemical Society (ACS)

    Professor Radek Marek, Professor Michal Hocek

  40. Cytotoxic Activities of Several Geranyl-Substituted Flavanones

    Article • Journal of Natural Products, April 2010, American Chemical Society (ACS)

    Professor Radek Marek, Stefano Dall'Acqua

  41. 1 H-, 13 C-, and 15 N-NMR chemical shifts for selected glucosides and ribosides of aromatic cytokinins

    Article • Magnetic Resonance in Chemistry, April 2010, Wiley

    Professor Radek Marek

  42. 13 C Chemical Shift Tensors in Hypoxanthine and 6-Mercaptopurine: Effects of Substitution, Tautomerism, and Intermolecular Interactions

    Article • The Journal of Physical Chemistry A, February 2010, American Chemical Society (ACS)

    Professor Radek Marek

  43. Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Michal Straka, Professor Radek Marek, Professor Michal Hocek

  44. 15N NMR Applications

    Article • January 2010, Elsevier

    Professor Radek Marek

  45. NMR determination of pK a values of indoloquinoline alkaloids

    Article • Magnetic Resonance in Chemistry, August 2009, Wiley

    Professor Radek Marek

  46. Electron Density Shift in Imidazolium Derivatives upon Complexation with Cucurbit[6]uril

    Article • Chemistry - A European Journal, July 2009, Wiley

    Professor Radek Marek

  47. Covalent bonding of azoles to quaternary protoberberine alkaloids

    Article • Magnetic Resonance in Chemistry, December 2008, Wiley

    Professor Radek Marek

  48. Antibacterial C -Geranylflavonoids from Paulownia tomentosa Fruits

    Article • Journal of Natural Products, April 2008, American Chemical Society (ACS)

    Professor Radek Marek

  49. NMR study of 5-substituted pyrazolo[3,4-c]pyridine derivatives

    Article • Magnetic Resonance in Chemistry, January 2008, Wiley

    Professor Radek Marek

  50. Structural and solvent effects on the 13 C and 15 N NMR chemical shifts of indoloquinoline alkaloids: experimental and DFT study

    Article • Magnetic Resonance in Chemistry, December 2007, Wiley

    Professor Radek Marek

  51. 15N NMR Spectroscopy in Structural Analysis: An Update (2001 - 2005)

    Article • Current Organic Chemistry, September 2007, Bentham Science Publishers

    Professor Radek Marek

  52. C -Geranyl Compounds from Paulownia tomentosa Fruits

    Article • Journal of Natural Products, August 2007, American Chemical Society (ACS)

    Professor Radek Marek

  53. Quaternary protoberberine alkaloids

    Article • Phytochemistry, January 2007, Elsevier

    Professor Radek Marek

  54. Synthesis and tautomerism study of 7-substituted pyrazolo[3,4-c]pyridines

    Article • Tetrahedron, December 2006, Elsevier

    Professor Radek Marek

  55. 1H,13C and15N NMR coordination shifts in gold(III), cobalt(III), rhodium(III) chloride complexes with pyridine, 2,2′-bipyridine and 1,10-phenanthroline

    Article • Magnetic Resonance in Chemistry, January 2006, Wiley

    Professor Radek Marek

  56. Experimental and quantum-chemical studies of15N NMR coordination shifts in palladium and platinum chloride complexes with pyridine, 2,2′-bipyridine and 1,10-phenanthroline

    Article • Magnetic Resonance in Chemistry, January 2006, Wiley

    Professor Radek Marek

  57. Synthesis, spectral study and cytotoxicity of platinum(II) complexes with 2,9-disubstituted-6-benzylaminopurines

    Article • Journal of Inorganic Biochemistry, November 2005, Elsevier

    Professor Radek Marek

  58. Direct determination of tautomerism in purine derivatives by low-temperature NMR spectroscopy

    Article • Tetrahedron Letters, August 2004, Elsevier

    Professor Radek Marek, Professor Michal Hocek

  59. Theoretical and experimental NMR chemical shifts of norsanguinarine and norchelerythrine

    Article • Journal of Molecular Structure, February 2004, Elsevier

    Professor Radek Marek

  60. NMR Studies of Purines

    Article • January 2004, Elsevier

    Professor Radek Marek

  61. Palmatine and Berberine Isolation Artifacts †

    Article • Journal of Natural Products, April 2003, American Chemical Society (ACS)

    Professor Radek Marek

  62. Isoquinoline alkaloids: a15N NMR and x-ray study. Part 2

    Article • Magnetic Resonance in Chemistry, September 2002, Wiley

    Professor Radek Marek

  63. N7- and N9-substituted purine derivatives: a15N NMR study

    Article • Magnetic Resonance in Chemistry, March 2002, Wiley

    Professor Radek Marek

  64. Review on 15N NMR applications

    Article • Current Organic Chemistry, January 2002, Bentham Science Publishers

    Professor Radek Marek

  65. 15N NMR study of isoquinoline alkaloids

    Article • Magnetic Resonance in Chemistry, March 1999, Wiley

    Professor Radek Marek

  66. Gradient-enhanced HSQC experiments for phase-sensitive detection of multiple bond interactions

    Article • Tetrahedron Letters, January 1997, Elsevier

    Professor Radek Marek

  67. Determination of a symmetrical dimer structure in benzo[c]phenanthridine alkaloids by pulsed-field-gradient HMBC

    Article • Tetrahedron Letters, March 1996, Elsevier

    Professor Radek Marek

  68. Thermal cyclization of homoallenylhydrazones

    Article • Tetrahedron Letters, October 1995, Elsevier

    Professor Radek Marek

  69. Novel thermal tetracyclization by intramolecular azine “criss-cross” addition

    Article • Tetrahedron Letters, December 1993, Elsevier

    Professor Radek Marek