All Stories

  1. Solubility advantage of sulfanilamide and sulfacetamide in natural deep eutectic systems: experimental and theoretical investigations

    Article • Drug Development and Industrial Pharmacy, March 2019, Taylor & Francis

    dr hab. Maciej Przybyłek, Professor Piotr Cysewski

  2. Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String

    Article • Journal of Chemistry, January 2019, Hindawi Publishing Corporation

    dr hab. Maciej Przybyłek, Professor Piotr Cysewski

  3. Intermolecular interactions between benzoic acid in crystal under varying pressure

    Article • Journal of Molecular Modeling, March 2015, Springer Science + Business Media

    Professor Piotr Cysewski

  4. On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation

    Article • Journal of Molecular Modeling, February 2015, Springer Science + Business Media

    Professor Piotr Cysewski, dr hab. Maciej Przybyłek

  5. Structural, electronic and energetic consequences of epigenetic cytosine modifications

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

    Professor Piotr Cysewski

  6. On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method

    Article • Structural Chemistry, October 2014, Springer Science + Business Media

    Professor Piotr Cysewski, dr hab. Maciej Przybyłek

  7. Apparent basicities of the surfaces characterizing the dominant crystal habits of distinct polymorphic forms of 4-aminosulfonamide

    Article • Journal of Molecular Modeling, June 2014, Springer Science + Business Media

    Professor Piotr Cysewski

  8. Styryl dye possessing donor-π-acceptor structure – Synthesis, spectroscopic and computational studies

    Article • Dyes and Pigments, December 2013, Elsevier

    Professor Piotr Cysewski, Professor Marek Samoc

  9. Structural origin of apparent surface basicities of p-aminosulanamide polymorphs

    Article • Crystal Research and Technology, November 2013, Wiley

    Professor Piotr Cysewski

  10. Application of alizarin colorimetric measurements for quantification of amine extraction by model food simulants from epoxy polymer

    Article • SpringerPlus, November 2013, Springer Science + Business Media

    Professor Piotr Cysewski

  11. APPLICATION OF AROMATICITY INDICES AS MOLECULAR DESCRIPTORS FOR PREDICTION OF OPTICAL PROPERTIES OF 9,10-ANTHRAQUINONE DERIVATIVES IN ETHANOL SOLUTION

    Article • Journal of Theoretical and Computational Chemistry, September 2013, World Scientific Pub Co Pte Lt

    Professor Piotr Cysewski

  12. Structural and energetic properties of canonical and oxidized telomeric complexes studied by molecular dynamics simulations

    Article • Journal of Molecular Modeling, May 2013, Springer Science + Business Media

    Professor Piotr Cysewski

  13. Properties of acid or alkali treated cadmium pigments

    Article • Dyes and Pigments, February 2013, Elsevier

    Professor Piotr Cysewski

  14. Accuracy of color prediction of anthraquinone dyes in methanol solution estimated from first principle quantum chemistry computations

    Article • Journal of Molecular Modeling, December 2012, Springer Science + Business Media

    Professor Piotr Cysewski

  15. The π-electron delocalization of phenol–fluoride system in explicit solvent conditions

    Article • Computational and Theoretical Chemistry, August 2012, Elsevier

    Professor Piotr Cysewski

  16. Factors Influencing Aromaticity: PCA Studies of Monosubstituted Derivatives of Pentafulvene, Benzene and Heptafulvene

    Article • Current Organic Chemistry, July 2012, Bentham Science Publishers

    Professor Piotr Cysewski

  17. Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol

    Article • New Journal of Chemistry, January 2012, Royal Society of Chemistry

    Professor Piotr Cysewski, dr hab. Maciej Przybyłek

  18. Mechanism of the acidic hydrolysis of epichlorohydrin

    Article • Journal of Physical Organic Chemistry, January 2011, Wiley

    Professor Piotr Cysewski

  19. Influence of thermal vibrations on aromaticity of benzene

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

    Professor Piotr Cysewski

  20. The π-Electron Delocalization Imposed by Thermal Vibrations of Substituted Benzene Analogues in Mediums of Varying Polarities

    Article • Computational Methods in Science and Technology, January 2011, ICHB PAS Poznan Supercomputing and Networking Center

    Professor Piotr Cysewski

  21. Nonadditive nature of nucleobases interactions in model d(GpG) dinucleotide steps

    Article • International Journal of Quantum Chemistry, December 2010, Wiley

    Professor Piotr Cysewski

  22. Quantification of thermal ring flexibilities of aromatic and heteroaromatic compounds

    Article • Journal of Molecular Modeling, December 2010, Springer Science + Business Media

    Professor Piotr Cysewski

  23. Environment influences on the aromatic character of nucleobases and amino acids

    Article • Journal of Molecular Modeling, July 2010, Springer Science + Business Media

    Professor Piotr Cysewski

  24. ChemInform Abstract: Ab initio Calculations of the Pairing of Four Canonical DNA Bases with Three Thymine Derivatives Generated by Hydroxyl Radical in Anaerobic Conditions.

    Article • ChemInform, June 2010, Wiley

    Professor Piotr Cysewski

  25. Structural and energetic consequences of oxidation of d(ApGpGpGpTpT) telomere repeat unit in complex with TRF1 protein

    Article • Journal of Molecular Modeling, May 2010, Springer Science + Business Media

    Professor Piotr Cysewski

  26. Non-additive interactions of nucleobases in model dinucleotide steps occurring in B-DNA crystals

    Article • Journal of Molecular Modeling, May 2010, Springer Science + Business Media

    Professor Piotr Cysewski

  27. Molecular Perspective Review of Biochemical Role of Nucleobases Modified by Oxidative Stress

    Article • Computational Methods in Science and Technology, January 2010, ICHB PAS Poznan Supercomputing and Networking Center

    Professor Piotr Cysewski

  28. Linear and nonlinear optical properties of azobenzene derivatives

    Article • Journal of Molecular Modeling, January 2009, Springer Science + Business Media

    Professor Piotr Cysewski

  29. Solvent impact on the aromaticity of benzene analogues: implicit versus explicit solvent approach

    Article • Journal of Molecular Modeling, January 2009, Springer Science + Business Media

    Professor Piotr Cysewski

  30. Structural and energetic heterogeneities of canonical and oxidized central guanine triad of B-DNA telomeric fragments

    Article • Journal of Molecular Modeling, January 2009, Springer Science + Business Media

    Professor Piotr Cysewski

  31. Intra-strand stacking interactions in B-DNA crystals characterized by post-SCF quantum chemistry computations

    Article • New Journal of Chemistry, January 2009, Royal Society of Chemistry

    Professor Piotr Cysewski

  32. An explicit solvent quantum chemistry study on the water environment influence on the interactions of fluoride with phenol

    Article • New Journal of Chemistry, January 2009, Royal Society of Chemistry

    Professor Piotr Cysewski

  33. Accurate micro- and macro- gas phase basicities of hydroxyl-radical-modified pyrimidines estimated by advanced quantum chemistry methods

    Article • Journal of Molecular Modeling, December 2008, Springer Science + Business Media

    Professor Piotr Cysewski

  34. The post-SCF quantum chemistry characteristics of inter- and intra-strand stacking interactions in d(CpG) and d(GpC) steps found in B-DNA, A-DNA and Z-DNA crystals

    Article • Journal of Molecular Modeling, November 2008, Springer Science + Business Media

    Professor Piotr Cysewski

  35. The post-SCF quantum chemistry characteristics of the energetic heterogeneity of stacked guanine–guanine pairs found in B-DNA and A-DNA crystals

    Article • Journal of Molecular Structure THEOCHEM, September 2008, Elsevier

    Professor Piotr Cysewski

  36. The impact of the nucleoside oxidation on the susceptibility to chemical carcinogens studied by first principle and semiempirical quantum chemistry methods

    Article • Journal of Molecular Structure THEOCHEM, August 2008, Elsevier

    Professor Piotr Cysewski

  37. Ozonization of electronic conducting polymers, Part III: The action of ozone on poly[3-pentylthiophene] film

    Article • Polymer Degradation and Stability, July 2008, Elsevier

    Professor Piotr Cysewski

  38. The post-SCF quantum chemistry characteristics of the guanine–guanine stacking B-DNA

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Professor Piotr Cysewski

  39. A post-SCF complete basis set study on the recognition patterns of uracil and cytosine by aromatic and π–aromatic stacking interactions with amino acid residues

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Professor Piotr Cysewski

  40. The nature of interactions in uracil dimer: An ab initio study

    Article • Chemical Physics Letters, December 2007, Elsevier

    Professor Piotr Cysewski

  41. First Principle Simulations of Ethylene Glycol Addition to Diisocyanates

    Article • Macromolecular Theory and Simulations, July 2007, Wiley

    Professor Piotr Cysewski

  42. A post-SCF quantum chemistry study on local minima of 8-oxo-guanine stacked with all four nucleic acid bases in B-DNA conformations

    Article • Journal of Heterocyclic Chemistry, July 2007, Wiley

    Professor Piotr Cysewski

  43. Experimental and theoretical investigations of spectroscopic properties of azobenzene derivatives in solution

    Article • Journal of Molecular Modeling, April 2007, Springer Science + Business Media

    Professor Piotr Cysewski

  44. Accurate gas phase acidities of carboxylic acids estimated by scaling the vibrational contribution of ab initio gibbs free energies

    Article • Journal of Molecular Modeling, April 2007, Springer Science + Business Media

    Professor Piotr Cysewski

  45. Theoretical analysis of the effects of guanine oxidative damage on the properties of B-DNA telomere fragments

    Article • Journal of Molecular Modeling, March 2007, Springer Science + Business Media

    Professor Piotr Cysewski

  46. Accurate gas phase acidities of carboxylic acids estimated by scaling of harmonic vibrational frequencies calculated on Hartree-Fock level

    Article • October 2006, Taylor & Francis

    Professor Piotr Cysewski

  47. A First Principle Characterization of Polyethylene, Poly(propylene) and Polystyrene Macroradicals Properties

    Article • Macromolecular Theory and Simulations, May 2006, Wiley

    Professor Piotr Cysewski

  48. Experimental and theoretical studies on formation and degradation of chloro organic compounds

    Article • Chemosphere, March 2006, Elsevier

    Professor Piotr Cysewski

  49. The MP2 quantum chemistry study on the local minima of guanine stacked with all four nucleic acid bases in conformations corresponding to mean B-DNA

    Article • Journal of Molecular Structure THEOCHEM, December 2005, Elsevier

    Professor Piotr Cysewski

  50. Polyolefin Macroradical Properties: A Semiempirical Quantum Chemistry Study

    Article • Macromolecular Theory and Simulations, July 2005, Wiley

    Professor Piotr Cysewski

  51. Anab initioDFT Characteristics of Tautomeric Properties of Hydroxyl Radical Modified Nucleosides in Polar and Non-Polar Environments

    Article • Zeitschrift für Physikalische Chemie, February 2005, De Gruyter

    Professor Piotr Cysewski

  52. An ab initio study on nucleic acid bases aromaticities

    Article • Journal of Molecular Structure THEOCHEM, January 2005, Elsevier

    Professor Piotr Cysewski

  53. An ab initio quantum chemistry study on N-glycosidic bond stabilities of hydroxyl radical modified guanosine analogs

    Article • Journal of Molecular Structure THEOCHEM, June 2004, Elsevier

    Professor Piotr Cysewski

  54. An ab initio quantum chemistry study on N-glycosidic bond stabilities of hydroxyl radical modified guanosine analogs

    Article • Journal of Molecular Structure THEOCHEM, June 2004, Elsevier

    Professor Piotr Cysewski

  55. Proton affinities and N-glycosidic bond stabilities of hydroxyl radical modified adenosine

    Article • Physical Chemistry Chemical Physics, January 2003, Royal Society of Chemistry

    Professor Piotr Cysewski

  56. Ab initio quantum chemistry studies on the coding properties of cytosine derivatives generated by hydroxyl radical in aerobic conditions

    Article • Journal of Molecular Structure THEOCHEM, November 1999, Elsevier

    Professor Piotr Cysewski

  57. Structure and tautomeric properties of thymine derivatives generated by hydroxyl radical in anaerobic conditions

    Article • Journal of Molecular Structure THEOCHEM, July 1999, Elsevier

    Professor Piotr Cysewski

  58. Structure and properties of hydroxyl radical modified nucleic acid components: tautomerism and miscoding properties of 5-hydroxycytosine

    Article • Journal of Molecular Structure THEOCHEM, June 1999, Elsevier

    Professor Piotr Cysewski

  59. Structure and properties of hydroxyl radical modified nucleic acid components: pairing properties of 2-hydroxyadenine and 8-oxoadenine

    Article • Journal of Molecular Structure THEOCHEM, June 1999, Elsevier

    Professor Piotr Cysewski

  60. Theoretical Description of the Coding Potential of Diamino-5-formamidopyrimidines

    Article • Zeitschrift für Naturforschung C, April 1999, De Gruyter

    Professor Piotr Cysewski

  61. Structure and tautomeric properties of cytosine derivatives generated by a hydroxyl radical in aerobic conditions

    Article • Journal of Molecular Structure THEOCHEM, February 1999, Elsevier

    Professor Piotr Cysewski

  62. Coding properties of thymine derivatives generated by hydroxyl radical in aerobic conditions

    Article • Physical Chemistry Chemical Physics, January 1999, Royal Society of Chemistry

    Professor Piotr Cysewski

  63. An ab initio SCF study on the tautomerisation of the 8-oxo-guanine and xanthine

    Article • Journal of Molecular Structure THEOCHEM, April 1998, Elsevier

    Professor Piotr Cysewski

  64. Structure and tautomeric properties of thymine derivatives generated by hydroxyl radical in aerobic conditions

    Article • Journal of the Chemical Society Faraday Transactions, January 1998, Royal Society of Chemistry

    Professor Piotr Cysewski

  65. An ab initio study of the tautomeric and coding properties of 8-oxo-guanine

    Article • Journal of the Chemical Society Faraday Transactions, January 1998, Royal Society of Chemistry

    Professor Piotr Cysewski

  66. Structure and properties of hydroxyl radical modified nucleic acid components II. 8-Oxo-adenine and 8-oxo-2′-deoxy-adenosine

    Article • Journal of Molecular Structure THEOCHEM, June 1997, Elsevier

    Professor Piotr Cysewski

  67. An ab initio SCF study on the tautomerisation of fapy-guanine

    Article • Journal of Molecular Structure THEOCHEM, September 1996, Elsevier

    Professor Piotr Cysewski

  68. Ab Initio Studies on the Structure and Properties of the Hydroxyl-Radical-Modified Adenine Derivatives in Different Tautomeric Forms

    Article • The Journal of Physical Chemistry B, June 1995, American Chemical Society (ACS)

    Professor Piotr Cysewski

  69. An attempt to describe the plastification of polyvinylchloride in terms of the theory of volume filling of micropores

    Article • Colloid & Polymer Science, March 1993, Springer Science + Business Media

    Professor Piotr Cysewski

  70. Study of the adsorption of self-associating proteins on an anion exchanger

    Article • Journal of Chromatography A, May 1992, Elsevier

    Professor Piotr Cysewski

  71. Multivalent ion-exchange model of biopolymer chromatography for mass overload conditions

    Article • Journal of Chromatography A, July 1991, Elsevier

    Professor Piotr Cysewski