Joanna Sadlej
Theoretical calculations for molecules and their interactions. Modeling of intermolecular interactions of the molecular complexes. Molecular spectra of interacting molecules. Chirality transfer. Relativistic effect on NMR parameters.
Jolanta Bukowska
Vibrational spectroscopy of molecules at a metal surface – surface enhanced Raman scattering (SERS), surface enhanced resonance Raman scattering (SERRS), infrared reflection spectroscopy (IRRAS). Structure of monolayers of organic compounds adsorbed on metals.
Wojciech Dzwolak
Protein misfolding and formation of amyloid fibrils. Biophysical studies on stability and dynamics of protein aggregates (FT-IR, Raman, CD, VCD, AFM, Fluorescence). Applications of proteins and polypeptides
in nanotechnology.
Wojciech Grochala
Research of Grochala’s group is focused on novel materials for magnetism, superconductivity, and gas storage with emphasis on hydrogen and carbon dioxide, new powerful oxidizers, and novel polymorphs of elements and compounds. Classes of materials studied excompass fluorides, oxides, hydrides, compounds of noble gases and novel carbon networks. All materials are synthesized and studied experimentally with a broad spectrum of methods as well as theoretically described based on quantum mechanical (single molecule or periodic) calculations.
Wiktor Koźmiński
Methodological aspects of NMR spectroscopy. The development of new approaches for acquisition of multidimensional NMR spectra. The application of Multiple Fourier Transformation to nonlinearly
sampled NMR data sets
Andrzej Kudelski
My current research mainly focuses on the recording and analysis of surface-enhanced Raman scattering (SERS) spectra dominated by the contribution from only a few molecules (or clusters). Such measurements can be realized when in the area from which the SERS spectrum is collected there are only a few “hot spots” (places at which SERS enhancement factors are exceptionally large). I showed that in a series of SERS spectra dominated by the contribution from only a small number of molecules, it is sometimes possible to identify bands from adsorbates with very low relative surface concentration. For example, in the “standard” SERS spectrum measured at the polycrystalline gold surface covered with CO, one can only identify a band characteristic for CO adsorbed on-top sites. However, in measured series of SERS spectra dominated by the contribution from a relatively small number of CO molecules, one can also find some SERS spectra in which both bands characteristic for on-top and bridge-bonded CO molecules can be noticed. I managed to record SERS spectra dominated by the contribution from only a few clusters on highly SERS active substrate covered with the layer of highly catalytically active metal (Ni), which is SERS inactive. This approach allowed to identify some final and intermediate products of the surface catalytic reaction which opens new possibilities for study catalytic reactions on other substrates.
The other problems currently analysed in my lab are electrostatic immobilization of enzymes onto metal surfaces modified with various linkage monolayers and development of some spectroscopic technique for chiral samples (e.g. SEROA). The immobilization of enzymes onto electrodes forms the basis for a range of biosensors and bio-electronic devices. Various vibrational chiral techniques, e.g. Raman Optical Activity (ROA) and Vibrational Circular Dichroizm (VCD) may allow to determine the absolute configuration of various molecules.
Magda Pecul-Kudelska
Ab initio calculations of Nuclear Magnetic Resonance parameters (spin-spin coupling constants and NMR shielding constants), of spectroscopic properties associated with chirality (optical rotation, Electronic Circular Dichroism spectra, Raman Optical Activity Spectra). Relativistic effects on NMR parameters.