Thursday, October 22, 2009

14:00 - 17:00 Registration

17:00 Welcome remarks

Chair: Snežana Zarić

17:30 Slobodan Macura, Mayo Clinic, Rochester, Minnesota, USA
NMR Study of Water/Urea Interactions in Organic Solvents.

18:00 Cristoph Janiak, Universitaet Freiburg, Germany
Applying non-covalent interactions for the stabilization of "naked" metal nanoparticles in ionic liquids.


Friday, October 23, 2009

Chair: Matthias Ullmann

Noncovalent interactions in transition metal systems

9:00 Natalia Belkova, Russian Academy of Sciences, Moscow, Russia
Hydrogen bond structure as determinant for the protonation mechanism of transition metal hydrides.

9:30 Michael Hall, Texas A & M University, U.S.A.
Intermediate H---H contacts in transition metal complexes: Elongated bonding or compressed
non-bonding?

10:00 Rinaldo Poli, CNRS, Toulouse, France
Transmission of non-covalent interaction: effect of the solvent on the cation through
solvent···anion···cation interactions.

10:30 - 11:00 Coffee break

Noncovalent interactions in fluids

11:00 Tzonka Mineva, Institut Charles Gerhardt, France
Structures and dynamics of surfactant templates: phosphatidil choline lipids and
n-alkylmethylamonium bromide salts.

11:30 Radivoje Prodanović, Jacobs University Bremen, Germany
High throughput screening system based on FACS and in vitrocompartmentalization for directed
evolution of glucose oxidase toward improved affinity and activity for glucose.

12:00 Goran Vladisavljević, Loughborough University, United Kingdom
Noncovalent interactions in microfluidic devices.

12:30 - 14:30 Lunch


Chair: Gabor Naray-Szabo

Noncovalent interactions in metal systems

14:30 Jairton Dupont, Institute of Chemistry - UFRGS, Porto Alegre, Brazil
The role of suparamolecular aggregates on the formation and stabilization of metal nanoparticles in imidazolium ionic liquids.

15:00 Ryszard Kubiak, Polish Academy of Sciences, Poland
Coordination compounds of metallophthalocyanines - the way
of usable materials.

15:30 Miroslav Boča, Slovak Academy of Sciences, Slovak Republic
Columbic interactions in high temperature molten salts.

16:00 - 16:30 Coffee break

Noncovalent interactions of pi-systems

16:30 Fanica Cimpoesu, Institute of Physical Chemistry,  Bucharest, Romania
Aromaticity and stacking effects in organic and coordination systems.

17:00 Miloš Milčić, University of Belgrade, Serbia
Noncovalent interactions of pi-systems in transition metal complexes.

17:30 - 19:30  Posters
will be presented abstracts on pages:
38, 39, 41 - 44, 46 - 48, 50, 51, 57 - 59, 63, 68 - 73, 78, 83, 87, 89, 90, 91
 

Saturday,  October 24, 2009

Chair: Michael Hall

Noncovalent interactions in biological systems

9:00 Ilza Pajeva, Bulgarian Academy of Sciences, Sofia, Bulgaria
Ligand- and Structure-Based Modeling Studies of the ABC Transporter P-Glycoprotein.

9:30 Matthias Ullmann, University of Bayreuth, Germany
pH-dependent pK_a Values in Proteins - A Theoretical Analysis of Protonation Energies with Practical Consequences for Enzymatic.

10:00 Gabor Naray-Szabo, Eotvous University Budapest, Hungary
Mechanism of Enzymatic Phosphoryl Transfer Reactions: Associative vs. Dissociative Pathways.

10:30 - 11:00 Coffee break

11:00 Ernst-Walter Knapp, Free University Berlin, Germany
Marriage of electrostatic and quantum chemistry to compute protonation and redox equilibria.

11:30 Georgi N. Vayssilov, University of Sofia, Bulgaria
Computational modeling of the influence of hydrogen bonding and proton transfer on protein
biosynthesis in ribosome.

12:00 Jaroslav Burda, Charles University, Check Republic
Comparison of thermodynamic and kinetic parameters for chosen interaction mechanisms of different metallodrugs.

12:30 - 14:30 Lunch


Chair: Jean-Pierre Djukic

Noncovalent interactions in metal systems

14:30 Marilena Ferbinteanu, University of Bucharest, Romania
Long range effects in supramolecular architectures of lanthanide complexes.

15:00 Pierre Braunstein, Institut de Chimie, CNRS, Strasbourg, France
Non-covalent Interactions in Metal-Ligand and Metal-Metal Bonded Systems.

15:30 - 16:00 Coffee break


16:00 - 17:00 Per Brodersen, Alexander von Humboldt Foundation, Bonn, Germany
Presentation of Alexander von Humboldt Foundation programmes


17:00 - 19:00  Posters
will be presented abstracts on pages:
40, 45, 49, 52 - 56, 60 - 62, 64 - 67, 74 - 77, 79 - 82, 84 - 86, 88


Sunday, October 25, 2009

Chair: Horst Borrmann

Hydrogen bonds

9:00 Rade Marković, University of Belgrade, Serbia
Selected chemoselective reactions of stereodefined 2-alkylidene-4-oxothiazolidines in terms of
structure-activity relationship.

9:30 Ingmar Persson, Swedish University of Agricultural Sciences, Uppsala, Sweden
Hydration of Anions in Aqueous Solution.

10:00 Miljko Satarić, Faculty of Technical Sciences,University of Novi Sad, Serbia
Hydrogen Bonds within an Alpha-helix could be modeled by Toda potential.

10:30 - 11:00 Coffee break

11:00 Radu Silaghi-Dumitrescu, “Babes-Bolyai” University, Cluj-Napoca, Romania
Walking the plank in small molecule activation by metalloenzymes and related centers.

11:30 Ivan Gutman, University of Kragujevac, Serbia
Mathematical Chemistry - History and Recent Developments.