DEPARTMENT OF THEORETICAL AND PHYSICAL CHEMISTRY

PEDAGOGICAL AND RESEARCH ACTIVITIES The Department of Theoretical and Physical Chemistry at the Faculty of Science continued to contribute substantially to the education of future chemists in the field of physical chemistry (about 60 students per year), future teachers of chemistry (about 30 students per year), future biologists and ecologists (about 60 students per year) as well as to research activity in the fields of theoretical and physical chemistry. These efforts involved fundamental lectures on physical chemistry, quantum chemistry, chemical constitution and specialized courses in electrochemistry, chemical kinetics, quantum chemistry, spectroscopy (NMR,EPR,MS), phase equilibria, statistical thermodynamics and irreversible processes including extensive laboratory courses at undergraduate and postgraduate levels. The research activity of the department concerned the study of the chemical and electrochemical reactivity of chemical substances and the relation to their structure through the use of different experimental and theoretical methods of physical chemistry. Reactions provided by electron transfer have been studied by means of electrochemical methods. New method of electrochemical signal processing and electrochemical methods with simultaneous membrane introduction mass spectrometry and with simultaneous electron paramagnetic resonance have been designed. Phase equilibrium studies in metallic systems have been performed in collaboration with the Institute of Physics of Materials, Academy of Sciences of the Czech Republic. The spatial structure of biological macromolecules and biomacromolecular dynamics is studied by means of high field NMR in solutions. In addition this department studies other physico-chemical properties of molecules (surface tension, viscosity, conductivity, etc.) in relation to their molecular structure using computer simulations and molecular modeling.

STRUCTURE OF DEPARTMENT PERSONNEL Head: Jan Vřešťál (Prof.,RNDr.,D.Sc.) Professors: Vladimír Sklenář (RNDr.,D.Sc.) Associate Professors: Miroslav Holík (RNDr.,CSc) Pavel Janderka (RNDr.,CSc.) Pavel Kubáček (RNDr.,CSc.) Marie Studničková (RNDr.,CSc.) Assistant Professors: Pavel Brož (Mgr.,Dr.) Jiří Sopoušek (RNDr.,CSc.) Jaromír Toušek (Mgr.,Dr.) Libuše Trnková (RNDr.,CSc.) Technicians: František Macourek Dana Tesařová Secretary: Marta Holíková Adjunct Lecturers: Michal Roth (Assoc.Prof.,RNDr.,CSc.), Inst. Anal. Chem. Acad. Sci. CR Brno Ph.D. Students: Full time Martina Coufalová(Mgr.) Jiří Czernek (Mgr.) Eva Drbálková (Mgr.) Jitka Havránková (Mgr.) Jana Houserová (Mgr.) Jan Juřík (Mgr.) Libor Kapička (Mgr.) Jan Kmuníček (Mgr.) Petr Kovařík (Mgr.) Lukáš Králík (Ing.) Markéta Munzarová (Mgr.) Petr Padrta (Mgr.) Vladimír Proks (Mgr.) Věra Rothová (RNDr.) Richard Štefl (Mgr.) Martin Zeman (Mgr.) Oldřich Živný (Mgr.)

THESES DEFENDED PER ACADEMIC YEAR 1998/1999 Diploma theses: Drbálková,E. : Mass spectrometry used in chemical kinetics investigation. (supervisor: J.Vřešťál) (in Czech).

Kapička, L.: Quantum Chemical Calculations of the Structure and Reactivity of Phosphorus (V) Oxo Fluorides and their Donor-Acceptor Complexes. (supervisor: P. Kubáček) (in Czech). Kmuníček, J.: Bromo and Imido Substituted Benzosemiquinones. (supervisor: P. Kubáček) (in Czech).

Kubišta, J.: Mass spectrometric determination of thermodynemic functions of the Co-Cu system (supervisor: J.Vřešťál) (in Czech). Pátý, J.: Study of elektrochemical decomposition of polychlorinated biphenyls (PCB) in nonaquevus medium by means of GC-MS (supervisor: P.Janderka) (in Czech).

Ph.D.theses: Havránková, J.: Mass spectrometric determination of thermodynamic functions of ternary system Fe-Co-Cr. system (supervisor: J.Vřešťál) (in Czech).

LIST OF PUBLICATIONS Textbooks: Scientific papers: Czernek, J., Sklenář, V. Ab Initio Calculations of 1H and 13C Chemical Shifts in Anhydrodeoxythymidines. Journal of Physical Chemistry A, The American Chemical Society, 1999, 103, p. 4089-4093. Havránková, J., Vřešťál, J., Tomiska, J. Universitaet Wien. Mass Spectrometric Determination of the Thermodynamic Properties of Liquid Co-Cr System. Kovové materiály, Bratislava : Ústav fyziky materiálov Bratislava, 1999, 37, 1,p. 34-40-40. Holik, M., Friedl, Z., Marchalin, S. Multivariate Regression with Substituent Shift Increments.III.2,5-Disubstituted Furans. Collection of Czechoslovak Chemical Communications, Prague : Inst. Org. Chem. Biochem. Acad. Sci. CR, 1999, 64, 10, p. 1696-1708. Holik, M., Friedl, Z., Waisser, K., Gregor, J. Multivariate Regression with Substituent Shift Increments. IV.2-(4-X-Phenyl)-1,3-dihydro-2Hisoindole-1,3-diones and -(4-X-Phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones. Collection of Czechoslovak Chemical Communications, Prague : Inst. Org. Chem. Biochem. Acad. Sci. CR, 1999, 64, 10, p. 1709-1726. Holík, M. NMR chemical shifts in correlation analysis. J.Mol.Structure, New York : Elsevier Science, 1999, 482-3, p.345-351. Hud, N., Schultze, P., Sklenář, V., Feigon, J. Binding Sites and Dynamics of Ammonium Ions in a Telomere Telomere Repeat DNA Quadruplex. Journal of Molecular Biology, San Diego : Academic Press, 1999, 285,p. 233-242. Hud, N., Sklenář, V., Feigon, J. Localization of Ammonium Ions in the Minor Groove of DNA Duplexes in Solution and the Origin of DNA ATract Bending. Journal of Molecular Biology, San Diego : Academic Press, 1999, 286, p. 651-659. Janderka, P., Brož, P., Cupáková, M., Gnidová, I. Determination of Polychlorinated Biphenyls by Means of Electroanalysis, Weinheim : WILEY-VCH Verlag GmbH, 1999, 11, 13, p. 978-983.

Electrochemical Methods.

Kilián, P., Marek, J., Marek, R., Toušek, J., Humpa, O., Slawin, A.M. Z., Toužín, J., Novosad, J., Woollins, J. Derek. New P-S-N containing ring systems. Reaction of 2,4-(naphthalene-1,8-diyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide with methylbis(trimethylsilyl)amine. J. Chem. Soc., Dalton Trans., Velká Británie, 1999, 13, p. 2231-2236. GA203/97/0955, projekt VaV. Kučera J., Hajduga M., Glowacki J., Brož P. Decarburization and Hardness Changes of Fe-C-Cr-Mn-Si Steels Caused by High Temperature Oxidationin Ambient Air. Zeitschrift für Metallkunde, 1999, 90, 7, 514-521. Marek, R., Toušek, J., Dostál, J., Dommisse, R., Potáček, M., Sklenář, V. NMR Structural Analysis of Benzo[c]phenanthridine Alkaloids. Chemické Listy, Praha : Česká společnost chemická,1999, 93, 11, p. 732-733. Marek, R., Toušek, J., Dostál, J., Slavík, J., Dommisse, R., Sklenář, V. 1H and 13C NMR Study of Quaternary Benzo[c]phenanthridine Alkaloids. Magnetic Resonance in Chemistry, John Wiley & Sons, Ltd., 1999, 37, 11, p. 781-787. Marek, R., Humpa, O., Dostál, J., Slavík, J., Sklenář, V. 15N NMR study of isoquinoline alkaloids. Magnetic Resonance in Chemistry, John Wiley & Sons, Ltd., 1999, 37, 3, p. 195-202. Přibylová, E., Holík, M. Determination of the accurate values of the rate constant and thermodynamic parameters for the rotation about the C(sp2)-C(aryl) bond. 3-Substituted N,N,2,4,6-pentamethylbezamides.Collect.Czech. Chem.Commun., Prague : Czech Academy of Sciences, 1999,64, 1, p.. 44-60. Sklenář, V., Masse, J., Feigon, J. HCCCH Experiments for Through-Bond Correlation of Thymine Resonancesn C-13 Labeled DNA Oligonucleotides. Journal of Magnetic Resonance, San Diego : Academic Press, 1999, 137, p.345-349. Tomschik, M., Jelen, F., Havran, L., Trnková, L., Nielsen, P.E., Paleček, E. Reduction and Oxidation of Peptide Acid and DNA at Mercury and Carbon Electrodes, Journal of Electroanalytical Chemistry, The Netherlands, Elsevier, 1999, 476, p. 71-80 Toušek, J., Marek, R., Dostál, J., Dommisse, R., Sklenář, Vladimír. Quantum Chemical Calculations of the Chemical Shifts of

Benzo[c]phenanthridine Alkaloids. Chemické listy, Praha : Česká společnost chemická, 1999, 93, 11, p. 756-757 Trávníček Z., Maloň M., Biler M., Hajdúch M., Brož P., Doležal K., Holub J., Kryštof V., Strnad M. Synthesis, characterization and biological activity of two nickel(II) complexes with 6-(2-chlorobenzylamino)purine. Transition Metal Chemistry, 1999. Vřešťál, J., Loeffler, T., Mueller, U., Baltruschat, H. Universitaet Bonn. Mass Spectrometric Study of Desorption and Hydrogenation of Biphenyl, Naphtalene and t-Butylbenzene on Poly- and Monocrystalline Platinum Electrodes. Journal of Electroanalytical Chemistry, The Netherlands : Elsevier, 1999, 461, 1, p. 90-93-93.

. Abstracts of conference papers and posters: Brož, P., Sopoušek, J., Vřešťál, J. Experimental and Calculated Phase Equilibria in Fe-21%Cr-17,5%Mn Alloys with Different Nickel and Nitrogen Content. In CALPHAD XXVIII. Grenoble (France) : Laboratoire de Thermodynamique et Physico-Chimie Metallurgioues I.N.P.G. E.N.S.E.E.G., 1999., s. 78-78. GA106/94/0307, projekt VaV. Brož, P., Buršík J., SvobodaM., Kroupa A. Experimental study of the gamma and gamma’ equilibrium in Al-Cr-Ni and Al-Ni-Cr-Co Systems. In CALPHAD XXVIII. Grenoble (France) : Laboratoire de Thermodynamique et Physico-Chimie Metallurgioues I.N.P.G. - E.N.S.E.E.G., 1999., s. 79. GA106/99/1176 Cukrowska, E., Trnková, L., Kizek, R., Havel, J. Artificial Neural Network for Quantitative Analysis of Adenine-Cytosine Mixtures by Linear Scan Voltammetry and Differential Pulse Polarography. In Modern Electroanalytical Methods. I. Pardubice : Univerzita Pardubice, 1999., s. OR16-16. Modern Electroanalytical Methods. Cukrowska, E., Trnková, L., Kizek, R., Havel, J. Artificial Neural Networks for Quantitative Analysis of Ade-Cyt Mixtures by UV-Vis Spectrophotometry. In Chemometrics V. I. Brno, Czech Republic : Masaryk University, Brno, 1999., s. P6-6. Brno Section of the Chemical Society. Cukrowska, E., Trnková, L., Kizek, R., Havel, J. Quantitative Analysis of Adenine and Cytosine Mixtures Using Artificial Neural Networks in Linear Scan Voltammetry and Differential Pulse Polarography. In Chemometrics V. I. Brno, Czech Republic : Masaryk University, 1999., s. O15-15. Brno Section of the Czech Chemical Society. Foret, R., Sopoušek, J., Vřešťál, J. Thermodynamic Analysis of Steels after Long-time Treatment. In CALPHAD XXVIII Grenoble (France). 1999. vyd. Grenoble : Laboratoire de Thermodynamique et Physico-Chimie Metallurgioues I.N.P.G. - E.N.S.E.E.G., 1999., s. 80-80. GA106/94/0307, projekt VaV. Havránková, J., Vřešťál, J., Wang, L.G., Sob, M. Ab initio analysis of sigma-phase formation in Cr-based systems. 1999 Centennial Meeting of the American Physical Society, Atlanta, Georgia, USA, March 20.-26.1999. Holík, M. Chemometrics in Near Infrared Spectroscopy (in Czech), 15th Chemometrics Day, 3.2.1999,Pardubice. Holík, M. Chemometrics in Near Infrared Spectroscopy (in English), Chemometrics V - International Chemometric Conference, 29.8.-2.9.1999, Brno, CR (plenary lecture) Holík, M. Multivariate Regression with Substituent Shift Increments. V.para-Substituted Biphenyls, 2-Phenylfurens and 6-Methyl-6phenylfulvenes. Chemometrics V - International Chemometric Conference, 29.8.-2.9.1999, Brno, CR (poster). Holík, M., Proks, V. Multivariate Regression with Substituent Shift Increments. VI. Shiff Bases of 4-Substituted Anilines with Benzaldehydes and 4-Formylpyridines. Chemometrics V - International Chemometric Conference, 29.8.-2.9.1999, Brno, CR (poster). Janderka, P., Trnková, L. Application of ISES (Inteligent School Experimental Systém) in Physical Chemistry, in Newspaper of Masaryk University in Brno, Brno, CR, 1999, 6, p.18-18. Janderka, P., Trnková, L. Elimination Voltammetry with Linear Scan (EVLS) of Multicomponent Systém in Modern Electroanalytical Methods, Jetřichovice, CR, 1999, p. 11-11. Jelen, F., Tomschik, M., Havran, L., Trnková, L., Paleček, Emil. Reduction and Oxidation of Peptide Nucleic Acid and DNA at Mercury and Carbon Electrodes. In Modern Electroanalytical Methods. I. Pardubice : Univerzita Pardubice, 1999., s. PO16-16. Modern Electroanalytical Methods. Kizek, R., Trnková, L., Paleček, E. Determination of Metallothionein Using Electrochemical Methods, In Trends in Clinical Biochemistry, Czech Society of Clinical Biochemistry 1. Ed, Hradec Králové, CR, 1999, p. 140-140. Kizek, R., Trnková, L., Paleček, E. Chronopotentiometric Stripping Analysis of Metallothionein at Mercury Electrode. In Modern Electroanalytical Methods. I. Pardubice : Univerzita Pardubice, 1999., s. PO80-80. Modern Electroanalytical Methods Kizek, R., Koutník, V., Trnková, L. Selenium and Food Chain, in Trends in Clinical Biochemistry, The Czech Society of Clinical Biochemistry 1. Ed,. Hradec Králové, CR, 1999., p. 112-112. Kizek, R., Koutník, V., Trnková, L., Chládek, G., Šimek, J. Importance of Selenium as a Trace lement, in 51.Congress of Chemical Society, Nitra, SR, 1999, p. I-PO8-8. Marek, R., Toušek, J., Dommisse, R., Sklenář, V. 1H, 13C, 15N NMR Study of Benzo[c]phenanthridine and Other Isoquinoline Alkaloids. In SMASH 1999. 1. vyd. Argonne, Illinois : SMASH organizing committee, 1999., p. 9-9.

Marek, R., Sklenář, V., Dommisse, R. Structural Studies Using Gradient Inverse 15N NMR Spectroscopy. In SMASH 1999. 1. vyd. Argonne, Illinois SMASH organizing committee, 1999., s. 42-42. Marek, R., Hocková, D., Slavík, J., Dommisse, R., Sklenář, V. 15N NMR Study of Natural and Synthetic Nitrogen Heterocycles. In 14th NMR Valtice 1.vyd.Brno,Masarykova univerzita v Brně, 1999, p.22-22. Marek, R., Toušek, J., Dostál, J., Dommisse, R., Potáček, M., Sklenář, V. NMR Structural Analysis of Benzo[c]phenanthridine Alkaloids. Pokroky v organické, bioorganické a farmaceutické chemii, Liblice, 15.- 17. 11. 1999. Potáček, M., Sklenář, V., Dommisse, R. Application of 15N NMR to the Study of Heterocycles. In 17th International Congress of Heterocyclic Chemistry. 1. vyd. Wien : Institut of Organic Chemistry, Vienna University of Technology, 1999., s. PO-196-1. Proks, V., Holík, M. Substituent Dependence of Benzylideneaniline Conformation (in English). 14th NMR Valtice, 12.-14.4.1999, Valtice, CR

Sitko, P., Janderka, P., Trnková, L. Elimination Voltammetry of polychlorinated biphenyls in Newspaper of Masaryk University in Brno, Brno, CR, 1999, 2, p. 22-22. Sopoušek, J. Modelling ao Extraction and Phase Diagram Calculation Using CALPHAD Approach. In Chemometrics V. Brno(Czech Republic) : KTFCh, Př. fak, Masarykovy univerzity, 1999., s. P10-0. Toušek, J., Marek, R., Dostál, J., Dommisse, R., Sklenář, V. Quantum Chemical Calculations of the Chemical Shifts of Benzo[c]phenanthridine Alkaloids. Pokroky v organické, bioorganické a farmaceutické chemii, Liblice, 15.- 17. 11. 1999. Trnková, L. Elimination Polarography and Elimination Voltametry, in Newspaper of Masaryk University in Brno, Brno, CR, 1999, 2, p. 23-23. Trnková, L., Kosour, D. The Study of Azidothymidine Reduction Using Elimination Voltametry, in Modern Electroanalytical Mtehods, Jetřichovice, CR, 1999, p. 10-10. Trnková, L., Janderka, P. Coulometry of azido-compounds, in Modern Electroanalytical Methods, Jetřichovice, CR, 1999, p. 12-12. Trnková, L., Friml, J., Dračka, O. Elimination Voltammetry - Modern Electroanalytical Method for Resolution of Overlapped Voltammetric Signals, in Modern Electroanalytical Methods, Pardubice, CR, 1999., p. PO40-40. . Trnková, L., Kizek, R., Hurtová, L., Hřivna, L.. Aluminium in Food-Stuffs, in Trends in Cliniccal Biochemistry, The Czech Society of Clonical Biochemistry 1. Ed. Hradec Králové, CR, 1999., p. 113-113. Trnková, L., Kizek, R., Hurtová, L., Hřivna, L. Aluminium in Food-Stuffs of Vegetable Source, In 51.Congress of Chemickal Society,Nitra, SR, 1999, p. I-P 5. Vřešťál, J. Energetics of sigma-phase formation in transition metal systems. COST P3 Working Group 1 Meeting, Strasbourg, May 31, 1999. Vřešťál, J., Havránková, J., Wang, L.G., Sob, M. Ab initio calculations for determination of energetics of σ−phase formation in some Cr-based systems. COST P3 General Workshop, Dipoli, Espoo, Finland, September 9.-10.1999. Wang, L.G., Sob, M., Havránková, J., Vřešťál, J. First principles analysis of energetics of sigma-phase formation in transition metal alloys. Progres in Computing of Physicochemical properties, Warszawa, Poland, November 18.-20.1999.

Major popularisations and other professional publications: Trnková, L., Kizek, R. Nobel Prize for Chemistry in 1997. Clinical Bbiochemistry and Metabolism, CR, The Czech Medical Society J.E.Purkyně, 1999, 7, 1, p. 68-70. Trnková, L. I. Workshop of physical chemists and electrochemits, in Newspaper of Masaryk University in Brno, Brno, CR, 1999, 2, p. 17-17. Trnková, L. Known (Unknown ?) Aluminium, in Poľnohospodár, ed. Nitra, STU, Bratislava, SR, 1999, 44, p. 2-2.

GRANTS BESTOWED FOR PROJECTS Grant Agency of the Czech Republic 106/99/1176 Brož P., Sopoušek J. (co-ordinator Buršík J., IPM AS CR): Ni-based superalloys with protective coatings: microstructural assessment and thermodynamic modelling. 204/97/K084 Trnková, L. (co-ordinator Paleček, E., Institute of Biophysics, AS CR): Electrodes modified with nucleic acids and proteins. New tools in biochemical and biomedical research. 106/97/1035 Vřešťál, J.,Sopoušek, J. (co-ordinator Kroupa, A., IPM AS CR): Phase equilibria in systems of transition elements with nitrogen and carbon. Grant Agency of the Ministry of Education, Youth and Sports

00457/1999 (G 0333) Holík, M.: Nonlinear regression in chemical kinetics.

COST OC.P3/90 (G 0331). Vřešťál, J.: Energetics of sigma-phase formation in transition metals systems

CONFERENCES (SYMPOSIA, SEMINARS) ORGANIZED BY THE DEPARTMENT STAFF MEMBERS 14th NMR Valtice, 12.-14.4.1999,Valtice, CR, Holík, M. - Chairman of the Organizing Committee. Chemometrics V-the international chemometrics conference organized by Masaryk University and the Chemical Sociaties of the Czech Republic, Slovakia, Austria and Hungary took place in Brno August 30.-September 2. 1999 (Chairman of the organizing Committee was Prof.J.Vřešťál, Secretary Dr.M.Holík). Part of about 60 participants.

INVITED LECTURES AND WORKING STAYS OF STAFF MEMBERS ABROAD Janderka, P. Institute of Physical and Theoretical Chemistry, University Bonn, FRG (2 weeks) Janderka, P. Institute of Physical and Theoretical Chemistry, University Graz, Austria (1 month) Sklenář, V. XVI. Croatian Meeting of Chemist and Chemical Engineers, 23.26.2.1999, Split, Chorvatsko Sklenář, V. Central European NMR Symposium, Szeged, Hungary, 3.9.1999 Sklenář, V. SMASH NMR Conference, Session 1. Natural Products, pp.9, Argamme, Chicago IL, USA, 15.-18.8.1999.

OTHER INTERNATIONAL CONTACTS AND CO-OPERATIONS OF STAFF MEMBERS Foreign visitors

Cooperations Collaboration with the Institut of Theoretical and Physical Chemistry, Technical University, Graz, Austria, Prof. G. Grampp, Dr. S .Landgraf (P. Janderka). Collaboration with the Institut of Theoretical and Physical Chemistry, University Bonn, FRG, prof.H. Baltruschat (P. Janderka, J.Vřešťál). University of California, Los Angeles, Department of Chemistry and Biochemistry and Institute of Molecular Biology, USA, Prof. Juli Feigon, structural studies of nucleic acids using NMR spectroscopy (V. Sklenář). Memorial Sloan Kettering Cancer Research Center, Cellular Biochemistry and Biophysis Program, New York, USA, Prof. Dinshaw Patel, development of new NMR techniques to study structure and dynamics of biological macromolecules (V. Sklenář). Institut de Biologie Structurale, CNRS, Grenoble, France, Dr. Dominiques Marion, development of NMR tools to study dynamics of biopolymers (V. Sklenář). University of Indiana, Bloomington, USA, prof.M. Novotný (V.Sklenář). Collaboration with Institute of Physical Chemistry University of Vienna, Prof. Josef Tomiska (J. Vřešťál). Collaboration with the Department of Chemistry, University of Antwerp RUCA, Belgium, Prof. Roger Dommisse (J. Toušek)

STUDENTS STUDYING ABROAD Havránková, J. University of Vienna (Sokrates). Munzarová, M.: Max Planck Institut Stuttgart, Stuttgart, Germany.

OTHER PROFESSIONAL ACTIVITIES Holík, M.: Member of the Czech Committee for Chemistry-national associate organization to IUPAC, Chairman of the Discussion Group Magnetic Resonance Spectroscopy, Secretary of the Brno Branch of the Czech Chemical Society, Member of the CentralComittee of the Czech Chemical Socienty Member of the German Chemical Socienty, Member of the Physical Chemistry Board for Ph.D.studies, Palacký University, Olomouc, Member of the Physical Chemistry Board for Ph.D.studies, Masaryk University, Brno,. Member of the Organic Chemistry Board for Ph.D.studies, Masaryk University, Brno. Janderka, P.: Member of the Physical Chemistry Board for Ph.D.studies, Masaryk University, Brno. Kubáček, P.: Member of the Physical Chemistry Board for Ph.D.studies, Masaryk University, Brno. Sklenář, V.: Member of the Editorial Board of the Journal of Magnetic Resonance Academic Press San Diego, USA, Member of the New York Academy of Sciences, Member of the Council of the Society International Society of Magnetic Resonance, Member Groupement Ampere, Member of the Physical Chemistry Board for Ph.D.studies, Masaryk University, Brno.

Studničková, M.: Member of the Physical Chemistry Board for Ph.D.studies, Masaryk University, Brno. Vřešťál, J.: Secretary of the Metal Science Society of the Czech Republic, Member of Scientific Board of Institute of Physics of Materials Academy of Sciences of the Czech Republic, Brno, Member of the Physical Chemistry Board for Ph.D.studies, Masaryk University, Brno, Member of Scientific Board of Science Palacký University Olomouc.