PROGRAMME
The conference is organized around three main topics dealing with the structure, dynamics and function of molecular and supramolecular objects of increasing complexity: small building blocks, biological systems and materials. At each stage a combination of different experimental and theoretical techniques is employed. The techniques include: time-dependent UV/VIS and vibrational spectroscopy, microwave, x-ray and neutron crystallography, inelastic neutron scattering, liquid and solid state NMR, all methods of theoretical chemistry, numerical simulations; photoinduced processes, isotope substitution. The capabilities of the local large scale neutron and X-ray facilities available at Ile de France (reactor Orphée of Laboratoire Léon Brillouin and SOLEIL) will be exemplified.
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Download the book of abstracts
Download the book of abstracts
Monday 14 September
8:30-9:00 Opening Session Chair: M.-C. Bellissent-Funel
9:00-11:00 BASIC ASPECTS OF THE H-BOND Chair: M.Suhm
Paola Gilli, University of Ferrara, Italy
"The Nature of the Hydrogen Bond: Models and Theories"
Anne Zehnacker, Laboratoire de Photophysique Moléculaire, Université Paris Sud, France
"Chirality-dependent hydrogen bond direction in the gas phase"
Zdzislaw Latajka, University of Wroclaw, Poland.
"Dynamics of H-bonded systems in the gas phase, crystals and small clusters - the Car-
Parrinello and Path Integral Molecular Dynamics approach"
Kersti Hermansson , Uppsala University, Sweden
"Is vibrational spectroscopy a good probe of H-bonding in hydroxides and minerals?"
11:00-11:30 Coffee break
11:30-12:50 Oral Communications 1-4 Chair: P. E. Hansen
13:00-14:30 Lunch
14:30-16:30 SMALL BUILDING BLOCKS Chair: K. Hermansson
Mikhail Vener, Mendeleev University of Chemical Technology, Moscow, Russia
"DFT study of H-bonds in the peptide secondary structures. Side-chain-backbone
interactions and salt bridges."
Héloisa Bordallo , Helmholtz Zentrum Berlin für Materialien und Energie
"The intrinsic structural behavior of the naturally occurring amino acids
and its reflection in their dynamics"
Wouter Herrebout, University of Antwerp, Belgium
"Molecular Interactions involving Halothane, Isoflurane, Desflurane and Sevoflurane: A
Survey of Recent Experimental and Theoretical Studies"
Laurence Noirez, LLB -Saclay
"Hidden long range solid-like correlations in H-bonding and viscous liquids"
16:30-17:00 Coffee break
17:00-18:00 Oral Communications 5-7 Chair: S. Bratos
Tuesday 15 September
8:30-11:00 CONFINED WATER Chair: M.-C. Bellissent-Funel
H. Eugene Stanley, Boston University, USA
"Water, the "most complex" liquid: new results in bulk, nanoconfined, and biological environments"
Toshio Yamaguchi, Fukuoka University, Japan
"Thermodynamics, Structure and Dynamics of Low Temperature Confined Water "
Alenka Luzar, VCU, Departmernt of Chemistry, USA
"Interfacial hydrogen bonds in amphiphilic systems"
Sophie Le Caer, CEA, IRAMIS, SCM, France
"Water dynamics in nanoporous materials"
José Teixeira, LLB, France
"Interaction water-aminoacids. From hydration to solutions"
11:00-11:30 Coffee break
11:30-13:00 Poster session
13:00-14:00 Lunch
14:00-16:30 Poster session
16:30-17:00 Coffee break
17:00-18:00 Oral Communications 8-10 Chair: M.Odelius
Wednesday16 September
8:30-10:30 MATERIALS_1 Chair: T. Yamaguchi
Volker Kempter,TU-Clausthal, Germany
"The role of Hydrogen in interactions involving Ionic Liquids: Experimental results"
B. Kirchner, Lehrstuhl Theoretische Chemie , Uni Leipzig, Leipzig, Germany
"Hydrogen bonds absent and present in and at ionic liquids"
H.L. Castricum , Institute of Petroleum Engineering, Heriot Watt University, The Netherlands
"Hybrid organic-inorganic materials for molecular separation"
Christer B. Aakeröy, Kansas State University, Manhattan, USA.
"Constructing co-crystals using molecular sense and supramolecular
sensibility"
Werner Kuhs, Universität Göttingen Germany
"Water interacting with non-polar gases - lessons from gas hydrate formation and decomposition"
11:00-11:30 Coffee break
11:30-13:30 Oral Communications 11-16 Chair: V.Kempter
13:00-14:00 Lunch
Excursion
18:00-19:00 Meeting of the International Advisory Board Committee
Thursday 17 September
8:30-11:00 BIOLOGICAL SYSTEMS_1 Chair: J. Teixeira
Alberto Podjarny , IGBMC, Department of Structural Biology, Strasbourg, France
"Mobile H-bond proton revealed by neutron and subatomic X-ray diffraction studies leads to
quantum model of catalysis for Aldose Reductase"
Joseph Parello , University of Vanderbilt, USA
"Hydrogen bonding and hydration in calcium signaling via the EF-hand proteins"
Patrick Senet , Institut Carnot de Bourgogne, DIJON, France
"Dynamics, dynamical transition, and free-energy profiles along the primary sequence of proteins in native states"
Jean-Marc Victor, LPTMC, Jussieu, Paris
"Why proteins can slide along DNA and how they find their target"
Peter Jordan, Brandies University, USA
"Normal Mode Studies of Conformational Change in Proton Sensitive
Channels and Transporters"
11:00-11:30 Coffee break
11:30-12:50 Oral Communications 17-20 Chair: H. Limbach
13:00-14:30 Lunch
14:30-16:10 Oral Communications 21-24 Chair: P. Senet
16:10-16:40 Coffee break
16:40-17:20 Oral Communications 25-26 Chair: V. Marry
17:30-19:00 Meeting of the Prizes Committees
19:30 Banquet
Friday 18 September
8:30-10:00 BIOLOGICAL SYSTEMS_2 Chair: J.-M. Victor
Erik Nibbering , Max Born Institute, Berlin, Germany
"Hydrogen bond dynamics and proton transfer in biophysical systems"
Alla Oleinikova , University of Dortmund, Germany
"Percolating H-bonded networks of hydration water: specific properties and
importance for biofunction"
Fabio Bruni, University of Roma Tre, Italy
"Dynamic Crossovers and Quantum Effects in Protein Hydration Water"
10:00-11:00 MATERIALS_2 Chair: M. Roeselova
Mary Jane Shultz , Department of Chemistry, TUFTS University, USA
"Aqueous Hydrogen Bonding: Secrets Revealed by the Ice Interface"
Natalie Malikova , LLB, France
"Water and ions confined in clays - a study of transport properties"
11:00-11:30 Coffee break
11:30-12:00 MATERIALS_2 (continued) Chair: M. Roeselova
L. Sobczyk, University of Wroclaw, Poland
"Specificity of NHN+ hydrogen bonds in protonated proton sponges"
12:00-12:30 Closing session Chair: M.-C. Bellissent-Funel / M. Suhm
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Last modification : august 11th, 2009
