Strona główna / Jednostki Badawcze / Sam. Prac. Badań Strukturalnych


Samodzielna Pracownia Badań Strukturalnych    



Kierownik Pracowni:

Prof. dr hab. Marek POTRZEBOWSKI

Doktorzy: Wojciech Dąbkowski, Magdalena Jaworska, Agata Jeziorna, Beata Miksa, Katarzyna Trzeciak-Karlikowska
Doktoranci:   Tomasz Pawlak, Piotr Paluch
Technik:   Łucja Kaźmierczak






Profil badawczy:


Structural characterization of new matters represents a key challenge for researchers dealing with scientific disciplines such as organic and bioorganic chemistry, polymer chemistry as well as new materials engineering. Understanding the properties of substances and knowledge of their three-dimensional structure are essential in accounting for the relationship between morphology and functions. There are a number of experimental techniques that are dedicated to the study of structures. The NMR spectroscopy and mass spectrometry are leading analytical techniques developed in our Laboratory;

The main field of interest is the application of the NMR spectroscopy and mass spectrometry in the structure analysis of organic, bioorganic compounds and polymers. The synthetic materials and natural products are investigated both in liquid and solid phases. The correlation between the molecular and/or supermolecular structure and physico-chemical properties is one of the leading projects.

Solid State NMR spectroscopy is used as a tool to search the polymorphism and pseudopolymorphism phenomenon, analysis of intra- and intermolecular contacts e.g. strong and weak hydrogen bonding, aromatic-aromatic interactions, molecular packing effects. The influence of intermolecular interactions on NMR shielding parameters is investigated by means of experimental and theoretical methods.

The methodology of measurements that allow understanding the mechanism of the phase transition on the molecular level is developed. The mode of phase reorientation is searched in the complementary approach employing DSC (Differential Scanning Calorimetry) and variable temperature high resolution Solid State NMR.

Subtle structural features, e.g., deviation from perfect periodicity (static distortion), have influence on the physical properties of the solid state. Most solid materials contain some level of disorder. It is not always possible to investigate the local distortion of structure by means of XRD methods, which reflect long range order. Solid State NMR spectroscopy, representing the local electronic environment for each nucleus correlated with XRD of powdered materials is employed for detailed analysis of materials and thermal processes.

Developing the methodology of measurements of peptides interactions with lipid bilayers is one of the newest projects. Opioid peptides are studied by means of the HR MAS approach.



Wybrane publikacje:


  1. Potrzebowski, M. J.; Bujacz, G. D.; Bujacz, A.; Olejniczak, S.; Napora, P.; Heliński, J.; Ciesielski, W.; Gajda, J.: Study of Molecular Dynamics and the Solid State Phase Transition Mechanism for Unsymmetrical Thiopyrophosphate Using X-Ray Diffraction, DFT Calculations and NMR Spectroscopy. J. Phys. Chem. B. 2006, 110: 761-771
  2. Potrzebowski, M. J.; Gajda, J.; Ciesielski, W.: Distance Measurements in Disodium ATP hydrates by Means of 31P Double Quantum Two-Dimensional Solid State NMR Spectroscopy. J. Magn. Reson. 2006, 179: 173-181.
  3. Olejniczak, S.; Napora, P.; Gajda, J.; Ciesielski, W.; Potrzebowski, M. J.: 31P Double-Quantum Solid State NMR Study of Phosphoroorganic Compounds with (O)P-O-P-(O), (S)P-O-P(S) and (S)P-S-P(O) Unit. Solid State NMR. 2006, 30: 141-149.
  4. Gajda, J.; Pacholczyk, J.; Bujacz, A.; Bartoszak-Adamska, E.; Bujacz, G. D.; Ciesielski, W.; Potrzebowski, M. J.: Structure and Dynamics of L-Selenomethionine in the Solid State. J. Phys. Chem. 2006, 110: 25692-25701.
  5. Pacholczyk, J.; Kalisiak, J.; Jurczak, J.; Potrzebowski, M. J.: Search of nature of planar chirality for pendant benzodiazacoronands in the solid state – NMR, X-ray and DFT studies. J. Phys. Chem. B. 2007, 111: 2790-2799.
  6. Gajda, J.; Jeziorna, A.; Ciesielski, W.; Potrzebowski, W. M.; Prezdo, W. W.; Potrzebowski, M. J.: High-Resolution Solid State NMR Spectroscopy as a Tool for Investigation of Enantioselective Inclusion Complexation. Solid State NMR. 2007, 31: 153-161.
  7. Marciniec, B.; Szubert, K.; Potrzebowski, M. J.; Kownacki, I.; Łęszczak, K.: Synthesis, Characterization, and Catalytic Activity of a Well-Defined Rhodium Siloxide Complex Immobilized on Silica. Angewandte Chemie, International Edition English. 2008, 47: 541-544.
  8. Olejniczak, S.; Mikuła-Pacholczyk, J.; Hughes, C. E.; Potrzebowski, M. J.: 15N and 13C high-resolution solid state NMR study of the polymorphic domain of L-enantiomer of N-Benzoyl-Phenylalanine. J. Phys. Chem. B. 2008, 112: 1586-1593.
  9. Sroka-Bartnicka, A.; Olejniczak, S.; Ciesielski, W.; Nosal, A.; Szymanowski, H.; Gazicki-Lipman, M.; Potrzebowski, M. J.: Solid State NMR Study and Density Functional Theory (DFT) Calculations of Structure and Dynamics of Poly(p-xylylenes). J. Phys. Chem. B. 2009, 113: 5464-5472.
  10. Jaworska, M.; Hrynczyszyn, P. B.; Wełniak, M.; Wojtczak, A.; Nowicka, K.; Krasiński, G.; Ciesielski W.; Potrzebowski, M. J.: Solid State NMR Spectroscopy as a Precise Tool for Assigning the Tautomeric Form and Proton Position in the Intramolecular Bridges of o-Hydroxy Schiff Bases. J. Phys. Chem. A 2010, 114: 12522-12530.
  11. Sroka-Bartnicka, A.; Ciesielski, W.; Libiszowski J. Duda, A.; Sochacki, M.; Potrzebowski, M. J.: Complementarity of Solvent-Free MALDI TOF and Solid-State NMR Spectroscopy in Spectral Analysis of Polylactides. Anal. Chem. 2010, 82: 323-328.
  12. Trzeciak-Karlikowska, K.; Bujacz, A.; Ciesielski, W.; Bujacz, G. D.; Potrzebowski, M. J.: The Influence of the Stereochemistry of Alanine Residue on the Solid State Conformation and Crystal Packing of Opioid Peptides Containing D-Ala or L-Ala in Message Domain - XRD and NMR Study. J. Phys. Chem. B 2011, 115: 9910-9919.
  13. Marciniec, B.; Rogalski, S.; Potrzebowski, M. J.; Pietraszuk, C.: Ruthenium Carbene Siloxide Complexes Immobilized on Silica: Synthesis and Catalytic Activity in Olefin Metathesis. ChemCatChem 2011, 3: 904-910.
  14. Ciesielski W.; Kassassir, H.; Potrzebowski, M. J.: A practical guide for the setup of a (1)H-(31)P-(13)C double cross-polarization (DCP) experiment. Solid State Nucl. Magn. Reson. 2011, 39: 151-157.
  15. Potrzebowski, M. J.; Kaźmierski, S.; Kassassir, H.; Miksa, B.: Phosphorus-31 NMR Spectroscopy of Condensed Matter. Annu. Rep. NMR Spectrosc. 2011, 72: 35-114.
  16. Pawlak, T.; Trzeciak-Karlikowska, K.; Czernek, J.; Ciesielski, W.; Potrzebowski, M. J.: Computed and Experimental Chemical Shift Parameters for Rigid and Flexible YAF Peptides in the Solid State. J. Phys. Chem. B 2012, 116: 1974-1983.