Our research interests lie in the area of supramolecular chemistry and chemistry of materials and focus on synthesis of complex molecular architectures for investigation of processes of molecular recognition, molecular switching, and controllable self-assembly. Most of the structures we prepare and study comprise one or several tetrathiafulvalene (TTF) units, capable of reversible switching of electron-donating properties by oxidation/reduction.
Dynamic molecular architectures based on tetrathiaulvalenes and calix[4]arenes. We use tetrathiafulvalene (TTF) building blocks, capable of reversible switching of electron-donating properties by oxidation/reduction, for the design of dynamic molecular architectures. (a) We developed redox-active molecular receptors with two or more spatially aligned TTF groups comprising a molecular recognition center for binding electron deficient molecular guests. In future, employing a modular assembly methodology and taking advantage of several building blocks, molecular receptors tailored for particular applications, e.g. sensorics, can be designed and investigated. (b) In another project we developed azobenzene-tetrathiafulvalene macrocycles that comprise two switching units: electrochemically-active tetrathiafulvalenes and photochemically-active azobenzenes. The oxidation potential of small, structurally rigid TTF-AB macrocycle depends on the conformation of the AB moiety, opening the way for the modulation of redox properties by an optical stimulus and design molecular devices with orthogonal write (optical) and read (electrical) modes.
Functional supramolecular materials. Development of functional supramolecular materials started with a collaborative project (with Prof B. J. Ravoo, University of Münster, Germany) aimed at investigation of redox-capable vesicles with TTF units. It was continued with the development of peptide-based soft materials incorporating unnatural amino acids with appended donor (D) and acceptor (A) groups. Donor-acceptor charge transfer (CT) interactions are expected to increase the attraction between the amino acid residues and stabilize the desired peptide structures. The project is conducted in collaboration with the ORGC group (Pruf. U. Hennecke, Prof s. Ballet, Prof. Martinin Vrije Universiteit Brussels (VUB), Belgium), which has extensive experience in the design and synthesis of peptides, particularly peptide-based hydrogelators. Two synthetic approaches (using Pd-catalyzed Negishi reaction and Hoffmann degradation of asparagine / glutamine) were successfully used by me for the synthesis of about 20 novel non-canonical amino acids, allowing for the preparation of more than 30 different hexapeptide hydrogelators. Our goal is to utilize these improved peptide hydrogelators to enhance existing drug delivery systems.
Analysis of weak interaction networks in molecular crystals. Analyzing patterns of weak intermolecular interactions (e.g. H-bonds, halogen bonds, interactions of p-systems) in crystal structures of organic compounds helps shed light on the role of these interactions in the self-assembly processes in the liquid phase, making this knowledge invaluable in material science. In collaboration with crystallographers from different places (Prof. C.M.L. Vande Velde, University of Antwerp, Belgium; Dr. M. Zeller, Purdue University, USA; currently Dr. D.V. Kama, UFS), we use computational methods of crystal analysis, energy networks / PIXEL calculations, to understand the role of different weak interactions contributing to the stabilization of crystal lattices as well as to explain phenomena in crystal phase, such as dynamic disorder in crystals of azobenzene derivatives.
Mass spectrometry in study of reactivity, reaction mechanisms, and weak interactions in the gas phase. My interest in mass spectrometry and its applications in various fields of chemical research began in 2005 when I designed and synthesized several dye pairs for the first gas-phase investigation of Förster resonance energy transfer (FRET). Since 2016, I have been a consistent member of the team lead by Prof J. Warneke (University of Leipzig, Germany), who uses methods of mass spectrometry to investigate different types of chemistries in the gas phase. The collaboration included the investigation of highly reactive fragment ions of dodecaborates, capable of inert gas and C-C / C-H bond activation in alkanes, as well as reaction acceleration in microdroplets and soft landing. I have contributed my expertise in reactivity and reaction mechanisms and regularly provide samples for these studies.
Enantioselective heterogeneous catalysis. In a collaborative project with Dr. S. Kunz (University of Bremen, Germany), we aim to create enantioselective heterogeneous catalysts. For that purpose, the surfaces of catalytic Pt or Pd nanoparticles (NPs) are modified with simple chiral organic ligands, such as proline and its derivatives, which influence the orientation of substrates on the catalytic surface and promote chiral induction. Within the framework of the project, the catalyst-ligand-substrate binding model was proposed, and high chemo- and enantioselectivities (above 80% ee) in hydrogenation of carbonyl compounds have been achieved.