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dr hab. Jolanta Kochana, prof. UJ – Head of the Department
phone: +48 12 686 2418
office D3-22

Research Group of Forensic and Clinical Analyses

Head: dr hab. Renata Wietecha-Posłuszny, prof. UJ

Main research directions:

  1. Analytical studies of forensic traces
  2. New methods of analysis of biological materials
  3. Lab-on-chip systems in forensic and clinical analysis
  4. Analytical study of biochemical systems
  5. Construction and application of analytical microcircuits in forensic and clinical chemistry
  6. Development of chromatographic and capillary electrophoresis techniques for forensic, clinical, and pharmaceutical analyses
  7. New methods for assessing the quality of analytical methods
  8. Implementation of the green chemistry concept in the analytical laboratory
  9. Spectroscopic studies of biological traces
  10. Chemometric methods in the identification of forensic traces

Research Group of Environmental and Biomedical Analyses

Head: dr hab. Jolanta Kochana, prof. UJ

Main research directions:

Development of new analytical methods and procedures for environmental and biomedical analysis

  1. Research on sensors and biosensors
  2. Development of new methods for multicomponent and speciation analysis
  3. Development of methodologies for imaging elemental composition using LA-ICP-MS techniques
  4. Development of new analytical procedures in atomic spectrometry techniques
  5. Development of new methods for flow analysis
  6. Development of microfluidic analytical and diagnostic devices created using 3D printing or using paper as a base material (µPADs)

Research Group of Toxicological and Pharmaceutical Analyses

Head: prof. dr hab. Wojciech Piekoszewski

Main research directions:

  1. Lipidomics: searching for lipid markers of psychiatric, neurodegenerative diseases, and metabolic disorders - determination of fatty acids and lipids in diverse disease entities
  2. Use of cell cultures in the study of the mechanisms of action of benzylpiperazine (designer drugs) and protease inhibitors used in the treatment of HIV infection
  3. Application of mapping techniques (bioimaging) of elements and organic compounds in tissues
  4. Design and development of analytical procedures for the determination of inorganic and organic xenobiotics in classical (blood, urine) and alternative materials (saliva, hair, nails, meconium) for toxicological analytics and laboratory diagnosis

dr hab. Paweł Wydro, prof. UJ – Head of the Department
phone: +48 12 686 2519
office D1-14

Photochemical and Luminescence Research Group

Head: dr hab. Mariusz Kępczyński, prof. UJ

Main research directions:

  1. Molecular modeling of lipid bilayers and polymers (Dr. Dorota Jamroz)
    • Structure and properties of lipid bilayers
    • Interaction of polymers and biologically active small molecules with lipid bilayers
    • Force-field parameterization for polymers and drugs
  2. Dispersed systems for biomedical purposes (Dr. hab. Mariusz Kępczyński, prof. UJ)
    • Liposome/photoactive-polymer hybrid photosensitizers
    • Liposomes as drug carriers
    • Nanocapsules and nanoparticles made of natural polymers as drug carriers
    • Interactions of hydrophobically modified polysaccharides with lipid membranes and cells
    • Application of microscopic methods in the imaging of cells and polymeric microparticles
  3. Application of self-modeling methods of factorial analysis for separation and analysis of absorption and fluorescence spectra of multicomponent thermospectral systems (Dr. hab. Andrzej Turek)

Research Group of Electrochemistry

Head: prof. dr hab. Grzegorz Sulka

Main research directions:

  1. Fabrication of nanostructured materials by electrochemical methods
    • Electrochemical synthesis and characterization of nanostructured anodic metal oxides (Al, Ti, Sn, Zn, W, Zr, Cu, Fe) with various morphologies
    • Preparation of nanostructured metallic (e.g., Ag, Au, Cu, Sn, Sb, Ni, Pd) and polymeric (e.g., PPy, PANI, PEDOT, PMMA) electrodes using anodic alumina templates
  2. Electrolytic deposition of binary materials
    • Synthesis of transition metal sulfides, selenides, and phosphides using deep eutectic liquids
    • Synthesis of semiconducting oxides from aqueous solutions
  3. Electrolytic metal deposition and dissolution
    • Synthesis of thin metallic films
    • Synthesis of porous metallic films by selective alloy etching
  4. Applications of nanostructured materials
    • Nanostructured semiconductor oxides for photoelectrochemical and photocatalytic applications
    • Nanostructured electrochemical sensors
    • Electrocatalysts for hydrogen and oxygen evolution (HER and OER) and oxygen reduction (ORR) reactions
  5. Supercapacitors - new materials for energy storage applications based on transition metal sulfides, selenides, and phosphides
  6. Corrosion of metals and alloys – electrochemical studies

Research Group of Physicochemistry of Surfaces

Head: dr hab. Paweł Wydro, prof. UJ

Main research directions:
  1. Langmuir monolayers and lipid bilayers in modeling of biomembranes
  2. Effects of biomolecules on model cell membranes
  3. Production and physicochemical characterization of lipid vesicles (liposomes)
  4. Application of lipid vesicles as carriers of bioactive substances
  5. Physicochemical characterization of monolayers and multilayers produced by Langmuir-Blodgett and Langmuir-Schaefer techniques
  6. Characterization of the properties of adsorption monolayers at the water|air interface
  7. Analysis of composition and intermolecular interactions in mixed adsorption monolayers
  8. Electrical and thermodynamic properties of molecules at the water|air interface

Research Group of Polymer and Biomaterials Nanotechnology

Head: prof. dr hab. Szczepan Zapotoczny

Main research directions:
  1. Nanoengineering of polymeric functional materials (prof. dr hab. Szczepan Zapotoczny)
    • Nanostructured polymeric materials for photochemical and biomedical applications
    • Atomic force microscopy (AFM) - a fundamental technique for the study of soft materials - development of novel methods and their use in nanotechnology and nanomedicine
    • Energy/electron transfer processes under geometrical constraints
    • Photosensitized reactions in polymer nanoreactors
    • Photochemistry and photophysics of selected systems (e.g., proton transfer from the excited state)
    • Synthesis of new polymers for antifungal applications
    • Synthesis and characterization of conductive polymer nanosheets with advanced architecture
    • Kinetics of radical polymerizations with reversible deactivation
    • Phase separation processes in multicomponent polymer blends
    • Nanolithography and nanomanipulation using scanning probe microscopy
    • Applications of controlled polymerization and post-polymerization modifications of materials for biomedical purposes
    • Polymeric systems for targeted anticancer therapy
    • Polymer conjugates of biologically active molecules
    • Polymeric photosensitizers
    • Semiconducting organic materials for optoelectronics applications
    • Synthesis and physicochemical characterization of organic compounds used as electron donors or acceptors in small-molecule organic photovoltaic systems (SMSCs), components of systems exhibiting nonlinear optical (NLO) phenomena, photosensors and logic gates sensitive to environmental changes
  2. Polymeric and hybrid materials for biomedical and environmental applications (Prof. dr hab. Krzysztof Szczubiałka)
    • Photoconvertible transition-metal complexes for photopharmacological applications
    • Polymers that regulate blood coagulation
    • Floating photosensitizers for degradation of water contaminants
    • Photoconvertible polymers for biomedical applications
  3. Functional polymeric and hybrid materials (Prof. dr hab. Maria Nowakowska)
    • Macromolecular virus inhibitors
    • Nanostructured antibacterial materials
    • Polyampholytic cryoprotectants
    • Bioactive oligomeric and polymeric conjugates
  4. Materials for controlled drug delivery (Dr hab. Anna Karewicz, prof. UJ)
    • Magnetic nanoparticles in cancer diagnosis and therapy
    • Microparticles and nanoparticles derived from biocompatible polymers for controlled drug delivery
    • Biomedical applications of halloysite nanotubes
  5. Luminescent organic materials (Dr hab. Łukasz Łapok)
    • Synthesis of organic, highly luminescent donor-acceptor systems for use in organic light-emitting diodes (OLEDs)
    • Synthesis of organic emitters exhibiting thermally activated delayed luminescence (TADF)
    • Organic emitters of blue, red, and green light
    • Photophysical, spectroscopic, electrochemical, and spectroelectrochemical characterization of organic emitters
  6. Multifunctional biopolymer materials for medical applications - from synthesis to biological studies (Dr hab. Joanna Lewandowska-Lańcucka, prof. UJ)
    • Injectable hydrogel hybrid materials for tissue engineering of bone
    • Biomimetic multifunctional systems for the treatment of osteoporotic defects
    • Nanostructured composites for the treatment of neurological diseases
    • Photo-crosslinked biopolymer films as matrices for controlled delivery of active ingredients
    • Silicone nano- and submicron structures for biomedical applications
  7. Organic functional materials and their properties (Dr hab. Tomasz Uchacz)
    • Studies of electron and energy transfer phenomena in single molecule and supramolecular systems
    • Studies of photophysical and electrochemical properties of polymeric materials and organic chromophores
    • Photochemical reactions in confined environments
    • Fluorescent sensors, organic materials for nonlinear optics, organic photovoltaics

Research Group of Molecular Spectroscopy

Head: dr hab. Marek Boczar, prof. UJ

Main research directions:

  1. Using quantum-mechanical methods for studying the properties of hydrogen-bonded systems
  2. Study of proton dynamics in hydrogen bonds
  3. Modeling by theoretical methods of infrared spectra of hydrogen bonds in complexes, crystals, and liquids
  4. Theoretical study of the multidimensional proton tunneling process
  5. Applying the molecular dynamics methods for studying the properties of hydrogen bonds in molecular crystals and biological systems

Prof. dr hab. Kinga Góra-Marek – Head of the Department
phone: +48 12 686 2460
office C2-04

Research Group of Plant Materials

Head: dr hab. Magdalena Kurdziel

Main research directions:

  1. Effect of different starch modifications on the starch structure and functional properties
  2. Formation of metal complexes by secondary plant metabolites, design and synthesis of polynuclear assemblies and coordination polymers, construction of thin films and nanocomposites based on switchable charge-transfer or spin-crossover coordination systems

Research Group of Coordination Chemistry

Head: prof. dr hab. Janusz Szklarzewicz

Main research directions:

  1. Chemistry of coordination compounds, mainly Mo, W, V, Cu, and organic compounds used as ligands. Study of the physicochemical properties of the newly obtained compounds, with particular emphasis on the description of the structure, spectroscopic, magnetic, and electrochemical properties. Study of reactivity, particularly unusual reactions on ligands in synthesizing new organic compounds. Ligand substitution reactions, structure-property correlation, reactions on the ligand, and synthesis of organic compounds catalyzed by the presence of a metallic center. Synthesis of high-energy and biologically active materials (Prof. dr hab. J. Szklarzewicz, Dr. A. Jurowska).
  2. Chemistry of MOF and related materials: design and synthesis of functional metal-organic networks (MOF). Structure-function correlations. Responsive and flexible MOFs. MOFs as adsorbents for gases, vapors, and drugs. MOFs in catalysis. MOFs as solid electrolytes. MOFs and their composites for applications in sensors and energy storage and conversion (Prof. dr hab. D. Matoga).
  3. Quantum coordination chemistry: study of electron structure, energetics, and reaction mechanisms by quantum-chemical methods (DFT, multi-reference methods, coupled cluster methods). Evaluation of the accuracy of quantum chemistry methods and development of computational protocols for metal complexes. Spin states of transition metal complexes, spin-crossover complexes of Fe, Mn and other metals (Dr hab. Mariusz Radon).
  4. Structural studies of coordination compounds - coordination polymers, structural aspects of bridge interactions, synthesis of compounds with dedicated structure, multidimensional crosslinking, structure-physical properties correlations, modifications of cation-anion interactions in the synthesis of compounds with assumed structure (Prof. dr hab. J. Szklarzewicz, Dr. M. Hodorowicz).

Research Group of Coordination and Bioinorganic Physicochemistry

Head: prof. dr hab. Grażyna Stochel

  • Team of Photocatalysis – prof. dr hab. Wojciech Macyk (team leader)

Main research directions:

  1. Coordination chemistry - design, synthesis, and characterization of new coordination and organometallic compounds of the following d-electron metals: Fe, Cu, Co, Mn, Ru, Ir, Pt, Pd, Au, Ti with ligands of natural origin and ligands designed and synthesized in our laboratories; verification of new compounds for use in biomedicine, environmental protection, obtaining advanced materials for applications in optoelectronics or renewable energy sources. Investigating the mechanisms of processes at the molecular level using kinetic, spectroscopic, electrochemical, optical, and electron microscopy techniques.
  2. Bionieorganic and biomedical chemistry - studies of the role of d-electron metal ions, both naturally occurring and those introduced into the human body in a controlled (e.g., drugs) and uncontrolled (e.g., environmental pollutants) way in selected physiological processes and their pathological disorders; study of the influence of d-electron metals on molecular and cellular mechanisms/pathomechanisms of civilization diseases (cancer, autoimmune, cardiovascular diseases, or infections with drug-resistant microorganisms); studies of the role of d-electron metal ions in the disruption of normal aging processes of organisms, in particular, studies of them as mediators in the processes of formation and breakdown of S-nitrosothiols key to the regulation of redox signaling of nitric oxide(II) (NO). A separate group of research is the search for new potential therapeutic and/or diagnostic agents (theranostics) based on d-electron metal compounds (e.g., Ru bipyridyl compounds, macrocyclic derivatives of Zn, Fe, Mn, Co, Cu, multifunctional complexes of Ir, Ru, Cu) and safe pharmaceutical formulations, including nanoformulations, providing a selective and effective biological response.
  3. Photochemistry and photobiology - a study of the mechanisms of electron deactivation processes of excited states of d-electron metal compounds, especially those that may be important in biology, medicine, or the environment. The use of stationary and time-resolved methods (from picoseconds to minutes) that allow transient absorption and emission measurements. For environmental research, work is carried out to elucidate the effects of environmental pollution by d-electron metals on the photosynthetic processes of plants and the functioning of their natural defense mechanisms or the processes of self-purifying the environment using photocatalytic cycles. For biomedical research, primarily works are done on the design and physicochemical and biological characterization (from molecular and cellular studies to preclinical and clinical studies) of new photosensitizers and their d-electron metal derivatives (e.g., porphyrins, chlorins, bacteriochlorins) for photodynamic therapy of cancer and drug-resistant infections.
  4. Catalysis and photocatalysis - mechanisms of photocatalytic processes (in particular, related to small molecule activation and photosensitization of TiO2) and redox properties of semiconductor materials are studied. Photocatalysts dedicated to water detoxification, surface and air purification, carbon dioxide fixation, and photocatalytic organic synthesis are developed. Research also includes photoelectrochemistry and spectroelectrochemistry of semiconductors.
  5. Energy conversion - research on converting solar energy into chemical energy includes using photocatalytic and photoelectrocatalytic processes in synthesizing so-called solar fuels (carbon dioxide reduction, water decomposition).
  6. Advanced materials - design, preparation, and characterization of metal nanoparticles (e.g., Au, Ag, Cu), metal oxides (e.g., TiO2, ZnO), bimetallic composite nanoparticles, and hybrid materials using d-electron metals. Optimization of the conditions for the synthesis of hybrid organic-inorganic nanostructures by Sustainable Chemistry methods. Nanomaterials are designed to be used in catalysis and to obtain aseptic materials and surfaces.

Research Group of Catalysis and Solid-State Physicochemistry

Head: prof. dr hab. Zbigniew Sojka

  • Team of Surface Chemistry and Materials – prof. dr hab. Andrzej Kotarba (team leader)
  • Team of Zeolite Chemistry – prof. dr hab. Barbara Gil (team leader)
  • Team of EPR Spectroscopy, Molecular Modeling, and Nanochemistry – prof. dr hab. Zbigniew Sojka (team leader)

Main research directions:

  1. Structure and reactivity of model redox catalytic systems (oxides, oxide heterojunctions, metallozeolites)
  2. Spectroscopic and microscopic studies, catalytic tests, isotopic studies, and quantum chemical calculations
  3. Electron and spin transfer processes accompanying the binding and activation of small molecules (O2, N2O, NOx, COx) on catalytic surfaces
  4. Catalytic chemistry of deN2O, deNOx, and deVOC reactions, soot, and CH4 combustion, advanced liquid-phase oxidation processes on oxide systems (basic, mechanistic, and application studies)
  5. Computational spectroscopy and electron microscopy (calculation of EPR, IR, RS, XAS spectroscopic parameters, simulation of TEM spectra and images)
  6. DFT molecular modeling of surface processes and relationships between structure, properties and catalytic activity (ab initio microkinetics and thermodynamics)
  7. Synthesis and functionalization of oxide nanomaterials with controlled morphology and redox properties
  8. Processes for obtaining fuels and fuel components
  9. Advanced spectroscopic studies (rapid scan IR, in situ and operando IR and UV-vis, 2D COS IR; 2D COS UV-vis) in the characterization of materials with catalytic potential
  10. Synthesis and characterization of lamellar zeolites
  11. Study of MOF (Metal-Organic-Framework) materials for potential applications in adsorption and gas separation and the synthesis of fine chemicals
  12. Electrocatalysis (polymer and oxide fuel cells, electrode materials, ORR and OER processes)

Research Group of Catalysis and Solid-State Physicochemistry II

Head: prof. dr hab. Wacław Makowski

Main research directions:

  1. Studies of the porous structure and surface of adsorbents and catalysts by quasi-equilibrated thermodesorption of probe molecules
  2. Adsorption of water and volatile organic compounds in zeolites, ordered mesoporous silicas and metal-organic networks
  3. Activity studies of zeolite catalysts obtained from layered precursors

Research Group of Heterogeneous Reaction Kinetics

Head: prof. dr hab. Joanna Profic-Paczkowska

Main research directions:

  1. Molecular engineering of catalysts - studies of structural reactors in environmental processes
  2. in situ and operando IR, Raman, and UV-Vis spectroscopic studies
  3. Synthesis of functionalized adsorption and catalytic materials
  4. Conservation chemistry - research related to the degradation of materials and their conservation, the development of modern techniques for the physicochemical analyses of materials of museum artifacts

Research Group of Inorganic Molecular Materials

Head: prof. dr hab. Robert Podgajny

  • Team of Organometallic Molecular Materials – dr hab. Dawid Pinkowicz (team leader)
  • Team of Multicomponent and Hierarchical Molecular Architectures – prof. dr hab. Robert Podgajny (team leader)
  • Team of Multifunctional Luminescent Materials – dr hab. Szymon Chorąży (team leader)

Main research directions:

  1. Design, synthesis, structural, spectroscopic, and physicochemical characterization of organometallic and organic photomagnetic systems, quantum nanomagnets, chiral magnets, and molecular conductors as potential materials for constructing molecular devices
  2. Synthesis and characterization of multicomponent and hierarchical molecular architectures based on the building-block approach and principles of molecular tectonics, including solid solutions, crystal composites, and multi-position anion receptors
  3. Synthesis and study of luminescent materials combining the phenomenon of light emission with magnetic and electrical properties, chirality, and sensitivity to external stimuli, designed for the construction of molecular switches, memory elements, and physical and chemical sensors
  4. Generation of luminescence, electrical, and photoswitch effects in polycyanide molecular materials exhibiting spin transitions
  5. Design, synthesis, and characterization of multifunctional ionic, proton, and non-proton molecular conductors with additional functionalities such as magnetic ordering, sensitivity to external stimuli, charge transfer phase transitions, chirality, or luminescence

Prof. dr hab. Patrycja Dynarowicz-Łątka – Head of the Department
phone: +48 12 686 2578
office D0-27

Research Group of Physicochemistry of Interfacial Phenomena

Head: prof. dr hab. Patrycja Dynarowicz-Łątka

Main research directions:

  1. Properties of Langmuir monolayers and LB films
  2. Bioactive molecules in the environment of model films
  3. Miscibility and intermolecular interactions in multicomponent monolayers
  4. Synthesis and characterization of fluorinated amphiphilic compounds
  5. (Bio)polymers as biomedical materials
  6. Polymeric membranes: structure, properties and applications
  7. Membrane separation processes

Dr hab. Aleksandra Pałasz – Head of the Department
phone: +48 12 686 2446
office D2-22

Research Group of Bioorganic and Medicinal Chemistry

Head: dr hab. Łukasz Skalniak, prof. UJ

Main research directions:

  1. Design and synthesis of small-molecule compounds for experimental immunotherapies and other targeted therapies
  2. Modeling, design and prediction of properties using classical methods and deep machine learning
  3. Molecular and structural biology: characterization of interactions of potential drugs with protein molecular targets using spectroscopic and structural X-ray methods (NMR, X-Ray, SAXS, cryo-EM)
  4. Testing the activity of potential drugs using biophysical methods (HTRF, MST, FPLC, etc.).
  5. Cell biology: determining the activity and mechanisms of action of potential drugs at the cellular level

Research Group of Chemistry of Heterocyclic and Organometallic Compounds

Head: dr hab. Dariusz Cież

Main research directions:

  1. Studies on diastereoselective and enantioselective synthesis of heterocyclic linkages using chiral metal complexes as catalysts or organometallic compounds as reactants
  2. Stereoselective formation of carbon-heteroatom bonds using organometallic compounds and complexes of transition metals (Ti(IV), Zr(IV), Mn(III), Pd(II)) and rare earth metals (Ce(III), Ce(IV), La(III)).

Research Group of Organic Physicochemistry

Head: dr hab. Katarzyna Ostrowska

Main research directions:

  1. Optimization of the structure of heterocyclic linkages to provide interactions with ions and neutral molecules
  2. Design and synthesis of heterocyclic compounds with liquid crystalline properties
  3. Study of luminescent properties of condensed heterocyclic systems and their complexes
  4. Design and synthesis of heterocyclic compounds with cytotoxic properties and exhibiting switchable spectral properties for use as pH and redox sensors in live cell imaging.

Research Group of Stereocontrolled Organic Synthesis

Head: dr hab. Aleksandra Palasz

Main research directions:

  1. Design of novel strategies in asymmetric catalysis
  2. Development of innovative photochemical reactions excited by visible light
  3. Exploration of new reactions catalyzed by transition-metal complexes and organic molecules (organocatalysis)
  4. Stereocontrolled synthesis of natural compounds and their bioactive analogs
  5. Synthesis and study of physicochemical properties of fluorescent dyes with applications in bioorthogonal chemistry
  6. Application of the Knoevenagel condensation reaction of aromatic mono, di, and trialdehydes with various CH acids as a bioorthogonal reaction for fluorescence imaging of drugs in cells

Research Group of Functional Organic Materials

Head: prof. dr hab. Miłosz Pawlicki

Main research directions:

  1. Development of pathways of chemical synthesis leading to non-planar hydrocarbons with extended conjugation
  2. Doping of carbonaceous materials with boron and phosphorus as a pathway to change optical properties
  3. Synthesis and study of the properties of organic chromophores and fluorophores active in the near-infrared with particular emphasis on polarized light
  4. Changes in electron delocalization under the influence of basic initiators
  5. Aromaticity and anti-aromaticity in derivatives with extended delocalization
  6. Analysis of stable radicals and diradicals/biradicals in the context of magnetic and optical properties

Dr hab. Katarzyna Hąc-Wydro, prof. UJ – Head of the Department
phone: +48 12 686 2572
office D0-21

Research Group of Environmental Catalysis

Head: dr hab. Andrzej Adamski, prof. UJ

Main research directions:

  1. Catalytic reactions of environmental importance (deCH4, deNOx, deSoot, deVOC)
  2. Valorization of CO2 and ash produced by the energy sector
  3. Synthesis, structural, textural, and functional characterization of oxide catalytic systems
  4. Characterization and monitoring of selected air pollutants
  5. Study of the dynamics of transport processes at the solid-solution interface
  6. Sustainable processes and technologies

Physicochemical Environmental Research Group

Head: dr hab. Katarzyna Hąc-Wydro, prof. UJ

Main research directions:

  1. Determination of heavy metal content in selected environmental components
  2. Physicochemical studies of water quality
  3. Effectiveness of chemical remediation of sites highly contaminated with metals originating from industrial processes
  4. Study of the effects of organic pollutants emitted from microplastic particles on model plasma membranes of soil microorganisms
  5. Inhibition of soil urease in the context of sustainable agriculture - inhibitors of natural origin
  6. Search for eco-substitutes and studying their properties (natural preservatives for cosmetics and food, eco-pesticides)

Research Group of Photocatalytic Methods for Environmental Purification and Solar Energy Conversion

Head: dr Ewa Kowalska, prof. UJ

Main research directions:

  1. Design of new photoactive structures (especially in visible light, including plasmonic, faceted, hybrid structures, and inverted opals) for environmental pollution degradation and solar energy conversion
  2. Investigation of reaction mechanisms of heterogeneous photocatalysis, including oxidation of organic compounds, water splitting (hydrogen generation), and carbon dioxide reduction

Prof. dr hab. Jacek Korchowiec – Head of the Department
phone: +48 12 686 2379
office C3-05

Research Group of Quantum Chemistry

Head: prof. dr hab. Artur Michalak

  • Team of Theory of Chemical Reactivity – prof. dr hab. Jacek Korchowiec (team leader)
  • Team of Molecular Modeling of Catalytic Processes – prof. dr hab. Artur Michalak (team leader)

Main research directions:

  1. Electrons as carriers of Fisher information in molecules
  2. Orbital communication theory of chemical bonding
  3. Applications of Density Functional Theory to chemical reactivity issues
  4. Developing global geometry optimization algorithms for small and medium-sized molecular systems
  5. O(N) class methods, semi-empirical schemes of interaction energy partitioning
  6. Conceptual density functional theory; structure and properties of macrocyclic systems
  7. Theoretical modeling of surface films by molecular dynamics methods
  8. Theoretical description of chemical bonding based on natural orbitals for chemical valence (NOCV) and localized orbitals bonds (LOBO)
  9. Analysis of chemical reaction pathways based on NOCV coupled to ETS interaction energy partitioning
  10. Application of ETS-NOCV to describe various types of chemical bonds: donor-acceptor, covalent multiple, weak interactions (intra and intermolecular), agostic, "hypervalent" systems
  11. Modeling of catalytic processes
  12. Semi-empirical and ab initio molecular dynamics simulations
  13. Simulation of spectra of systems relevant to solar cells (DSSCs) and luminescent diodes (OLEDs)

Research Group of Theoretical Molecular Physics

Head: dr hab. Marcin Andrzejak

Main research directions:

  1. Studies of molecular dynamics in ground and excited states; vibronic coupling theory level description and interpretation of resonant Raman effect (RR), circular dichroism (CD), and magnetic circular dichroism (MCD); application and development of quantum chemical methods: ab initio and semi-empirical methods targeting spectroscopic properties of molecules
  2. Development of computational methods adequate to describe the properties of large molecular systems
  3. Application of vibronic models to study molecules containing identical chromophores in dimeric, trimeric, and tetrameric systems; study of radiation-free processes in biological macromolecular systems such as PCP complexes (peridinin - chlorophyll a - protein)
  4. Study of dynamics of degenerate nuclear motions in the ground state in highly symmetric systems; interpretation of magnetic vibrational circular dichroism (MVCD) spectra based on calculated vibrational magnetic moments
  5. Symmetry properties of the Schrödinger operator and the group of conformal transformations; Galilean transformation in molecular quantum mechanics - application to hydrogen bond theory

Research Group of Thermodynamics and Dynamics of Chemical Reactions

Head: prof. dr hab. Jacek Korchowiec

Main research directions:

  1. Mesoscopic modeling of surface phenomena: modeling of porous systems, study of the effect of geometry on the process kinetics
  2. Chemical processing of information
  3. Fundamentals of nonequilibrium thermodynamics
  4. Stochastic effects in chemical systems

Prof. dr hab. Wacław Makowski – Head of the Department
phone: +48 12 686 2471
office C2-20

Main research directions:

  1. Investigating the influence of 3D manipulation in actual, augmented, and virtual reality on the cognitive load while changing representations in modeling chemical structures
  2. Design and development of teaching tools
  3. Research on the effectiveness of tools, programs, and methods for teaching and professional development of school and university teachers
  4. Development of blended learning, e-learning, and MOOC-type courses,
  5. Designing and consulting syllabuses of courses for students in on-site and remote teaching
  6. Planning and implementation of courses for teachers, demonstrations of chemical experiments, and laboratory classes for students
  7. Production and editing of recordings of lectures, demonstrations, and chemical experiments
  8. Hospitations of academic courses in support of academic teachers

Prof. dr hab. Małgorzata Barańska – Head of the Department
phone: +48 12 686 2389
office C3-21

Phase Transition Research Group

Head: dr hab. Łukasz Hetmańczyk

Main research directions:

  1. Phase transitions in a solid (functional materials, hydrogen-bonded systems, etc.) and their relation to molecular motions and structural changes
  2. Thermal properties of coordination and mesomorphic compounds
  3. Studies of ionic coordination compounds of selected metal cations with H2O, NH3, DMSO ligands and various counter-anions.
  4. Studies of liquid and plastic-crystalline phases

Research Group of Raman Imaging

Head: prof. dr hab. Małgorzata Barańska

Main research directions:

  1. Spectral diagnostics, pharmacology, and pharmacotherapy: development of methodologies for spectroscopic diagnosis of civilization diseases, including cancers and their metastasis, subtypes of leukemia; molecular, metabolic, and morphological evaluation of drug effects on endothelial cells and leukemic cells
  2. Biology and biochemistry: studies of tissues, cells, metabolites, biopolymers
  3. Pharmaceutics: analysis of drug active substances, distribution, and polymorphism
  4. Conservation and archeometry: spectroscopic analysis of composition and degradation products, mummification
  5. Physicochemistry: surface morphology, kinetics of changes induced by stress factors
  6. Spectroscopy: development of new experimental techniques, study of mechanisms of Raman signal enhancement
  7. Analytics: development of methods for analysis of spectroscopic data based on chemometrics
  • Team of Chiroptical Spectroscopy – dr hab. Agnieszka Kaczor, prof. UJ (team leader)


    Main research directions:

    1. Application of chiroptical spectroscopy methods, with emphasis on Raman Optical Activity (ROA) and Vibrational Circular Dichroism (VCD), for amplification and chirality induction studies
    2. Molecular structure, polymorphism, and chirality of supramolecular systems of biomolecules (amyloid fibrils, carotenoid aggregates, protein-biomolecule complexes)
    3. Molecular structure and chirality of nanomaterials (carbon dots, nanotubes)
    4. Perivascular adipose tissue (PVAT): studies of chemical changes in disease models and PVAT-microbiome and PVAT-vascular endothelial interactions
    5. Nanocarriers for transport of active compounds to adipocytes

Research Group of Vibrational Spectroscopy

Head: prof. dr hab. Aleksandra Wesełucha-Birczyńska

Main research directions:

Dr hab. Justyna Kalinowska-Tłuścik, prof. UJ – Head of the Department
phone: +48 12 686 2467
office C2-13

Biocrystallography Research Group

Head: prof. dr hab. Krzysztof Lewiński

Main research directions:

  1. Studies of crystal structures of selected proteins and their variants
  2. Studies of the mechanisms of enzymatic activity
  3. Studies of protein interactions with ligands of biological significance using spectroscopic, biochemical, and in silico methods, supported by detailed structural analysis of selected protein-ligand complexes
  4. Structural analysis of small molecules targeted by medicinal or biological chemistry, including compounds with potential therapeutic potential showing anticancer activity or participating in defense against pathogens
  5. Structural studies of selected proteins under high-pressure conditions - searching for correlations between structural changes and biological aspects of the studied proteins, including stability, conformation, amyloidogenicity, or allergenicity
  6. Design and preparation of new variants of proteins with therapeutic potential using genetic engineering methods and studying their activity in solution and selected biological systems
  7. Production of recombinant proteins in prokaryotic expression systems and their complete biochemical, biophysical, and structural characterization
  8. Design and identification of bioactive compounds using classical computer-assisted methods (molecular docking, virtual screening, QSAR models) and machine learning methods; searching for optimal algorithms to increase the probability of success in drug design

Research Group of Crystalline Engineering and Structural Analysis

Head: dr hab. Marlena Gryl, prof. UJ

Main research directions:

  1. chemical properties - determination of the experimental distribution of electron density in crystals, a study of molecular packing and types of intermolecular interactions in crystalline phases, polymorphism;
  2. physical properties - study of the correlation of crystal structure with linear optical properties (e.g., linear birefringence, circular birefringence) and nonlinear optical properties (e.g., generation of the second harmonic), study of the structural mechanism of phase transitions in ferroic crystals;
  3. biological properties - the study of the correlation of the pharmacological activity of compounds with potential anti-arrhythmic and alpha or beta-adrenergic properties with their spatial molecular geometry in terms of the ability to bind to the receptor; structural characterization of biocompatible materials

Research Group of Structural Powder Diffractometry

Head: prof. dr hab. Wieslaw Łasocha

Main research directions:

  1. Solving structures from powder data, testing and development of methods of structural powder diffractometry
  2. Research on the synthesis of new fibrous and layered polyanionic compounds (polymolybdates, peroxy-molybdates, etc.)
  3. Structural studies of complex compounds, including macrocyclic complexes
  4. Applications of powder diffractometry methods in the study of new materials, pharmacology, medicine, food chemistry, and the study of cultural heritage objects

Dr hab. Andrzej Eilmes, prof. UJ – Head of the Department
phone: +48 12 686 2377
office C3-03

Research Group of Organic Semiconductors

Head: dr hab. Andrzej Eilmes, prof. UJ

Main research directions:

  1. Theoretical description of electro-optical properties of organic molecular crystals, with particular emphasis on the role of charge-transfer states
  2. Theoretical interpretation of absorption, electro-absorption, and photocurrent spectra of pure and doped crystals
  3. Disorder effects in molecular systems, metal-insulator transition in disordered systems
  4. Studies of solvent effects on energy, structure, and electron and vibrational spectra in solutions
  5. Modeling complexation and ion transport processes in liquid and polymer electrolytes
  6. Modeling vibrational spectra in the condensed phase from ab initio molecular dynamics simulations
  7. Theoretical study of selected aspects of the singlet fission process
  8. Modeling of functionalized polymer surfaces with molecular dynamics methods
  9. Development of advanced computational methods of quantum chemistry (Dr hab. Grzegorz Mazur)
  • Team of Molecular Modeling of Catalytic Processes – dr hab. Mariusz Mitoraj, prof. UJ (team leader)

    Main research directions:

    1. Development of new quantum chemical methods/descriptors for qualitative and quantitative description of chemical bonding
    2. Theoretical description of the nature of chemical bonds with particular emphasis on unusual/controversial chemical interactions in the literature (e.g., multiple bonds between atoms from the main groups of the periodic table, double hydrogen interactions, agostic/anagostic interactions, etc.)
    3. Molecular modeling of catalytic reaction mechanisms with particular emphasis on reactions leading to molecular hydrogen release and activation of covalent bonds
    4. Modeling of photophysical and acid-base properties of organometallic systems

Prof. dr hab. Lucjan Chmielarz – Head of the Department
phone: +48 12 686 2417
office D3-21

Research Group of Environmental Chemical Technologies

Head: prof. dr hab. Lucjan Chmielarz

Main research directions:

  1. Synthesis and functionalization of high-surface-area materials for applications in catalytic and adsorption processes (mesoporous silicates, intercalated layered aluminosilicates, 3D and 2D zeolites and their modifications, mixed oxides of hydrotalcite origin)
  2. Studies of pollutant removal processes from exhaust and post-process gases - NOx (DeNOx process, catalytic decomposition of N2O), volatile organic compounds (catalytic combustion of VOCs), ammonia (selective catalytic oxidation of NH3) and soot (catalytic combustion of soot)
  3. Catalytic synthesis of fuel biocomponents (dimethyl ether, diethyl ether)
  4. Catalytic and adsorption methods of removing organic and inorganic pollutants from wastewater
  5. Study of the catalytic decomposition of ammonia as a source of hydrogen
  6. Catalytic and photocatalytic oxidation of organic sulfides, in terms of generating products relevant to the pharmaceutical industry, using hydrogen peroxide as an oxidant

Research Group of Technology of Materials and Nanomaterials

Head: dr hab. Marcin Molenda, prof. UJ

Main research directions:

  1. Synthesis of functional materials and nanomaterials for a variety of applications, in particular electrode materials and electrolytes for lithium (Li-Ion), sodium (Na-ion), and oxide fuel cell (SOFC) batteries
  2. Synthesis and characterization of conductive carbon nanocomposites and development of technologies for coating nanometric grains with carbon layers of controlled porosity
  3. Development and optimization of the synthesis of nanometric catalysts - optimization of activation and conditions of catalytic processes, improvement of resistance to poisons and aging processes
  4. Study of solid phase transformations (thermal decomposition, redox processes, crystallization, and sintering) and the effect of texture on the reactivity of solids
  5. Design of sustainable technological processes for the energy industry

Research Group of Organic Technology

Head: prof. dr hab. Piotr Kuśtrowski

Main research directions:

  1. Synthesis of novel functional materials with controlled structure and porosity (including based on clay minerals, zeolites, mesoporous silicas, carbon sieves, core-shell systems)
  2. Design of polymer structures for dedicated applications
  3. Elimination of organic pollutants from gas and liquid phases by (photo)catalytic and adsorption processes
  4. New paths for conversion of organic raw materials towards optimization of current industrial technologies (e.g., oxidative dehydrogenation of alkanes) and production of high value-added chemicals (e.g., aldol condensation, selective oxidation of hydrocarbons)
  5. Characterization of composition and state of surface for model and real materials using adsorption-desorption, microscopic, and spectroscopic techniques, with particular emphasis on photoelectron spectroscopy