Conference Schedule

Monday, October 17

 

11:00-14:00                Arrival, registration

14:00-14:30                Opening ceremony

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Physical chemistry of porous materials

Discussion Leader: Patrice Malfreyt

14:30-15:10               CONFERENCE JEAN PERRIN

                                   Alain Fuchs, Water in Hydrophobic Cavities at the Nanoscale

15:10-15:40               Romain Gaillac, Ab initio molecular dynamics study of the melting process of Metal-

                                  Organic Frameworks

15:40-16:10               Guillaume Fraux, Adsorption and intrusion theory in soft porous materials

16:10-16:30               Coffee break

Nanomaterials for biomedical applications

Discussion Leader: Sophie Sobanska

16:30-17:10               PRIX CHERCHEUR CONFIRME

                                  Emmanuel Flahaut, Carbon nanotubes for potential biomedical applications

17:10-17:40               Ileana-Alexandra Pavel, Food grade nanostructure solid lipid carriers from W/O/W

                                  emulsion for enzyme delivery

17:40-18:10               Pierre Venturini, Elaboration and characterization of water soluble capped

                                  superparamagnetic iron oxide nanoparticles

19:00-22:00                Conference dinner

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Tuesday, October 18

 

Radiolysis, energy and photochemistry

Discussion Leader: Jacqueline Belloni

9:00-9:40                   PRIX JEUNE CHERCHEUSE

                                  Sophie Le Caer, Accelerated ageing of electrolytes in Lithium-ion batteries: the point

                                  of view of a radiation chemist

9:40-10:10                 Flavien Ivol, New Advanced Electrochemical double layer capacitors (EDLCs)

                                  electrolyte: Improve the Safety by enhancing the chemistry of the components

10:10-10:40               Furong Wang, Competitive Ultrafast Electron Transfer and Proton Transfer Reactions

                                  of Radical Cation of Water

10:40-11:00               Coffee break

11:00-11:30               Gilles Frison, Gas phase infra-red multiphoton dissociation as an analytical technique

                                  for reactive cations. Investigation of reduced Zn- and Ru-complexes

11:30-12:00               Marie Clément, Metallic nanoparticles synthesized by radiolysis stabilized by

                                   calixarenes

12:00-12:30               Natalia Esteves Lopez, UV Photochemistry of Pyridine-Water Complex: Evidence of

                                  Water Dissociation

12:30-13:50                Lunch

13:50-14:00                PRIX STAGE ELECTROCHIMIE

Electronics, electrochemistry and spectroscopy

Discussion Leader: Stéphane Coussan

14:00-14:40               INVITED LECTURE - Timothy Clark, Approaching Reality: Simulating Electronic

                                  Devices

14:40-15:10               Cassandre Quinton, 9H-Quinolino[3,2,1-k]: a new electron-rich fragment for organic

                                  electronics

15:10-15:40               Iuliia Malytska, Bipolar Electrochemistry for Wireless Modification of Conducting        

                                  Organic Crystals

15:40-16:00               Coffee break

16:00-16:30               Olivier Ouari, Rational design of free radical polarizing agents for solid state NMR /

                                  Dynamic Nuclear Polarization

16:30-17:00               Laure Bar, Interactions between G-quadruplex mimics and synthetic ligands by

                                  Surface Plasmon Resonance (SPR)

17:00-17:30               Maciej Mierzwa, Electrospun indium tin oxide nanofibers as transparent electrode

                                  material for spectroelectrochemical analysis

17:30-18:00               Pham Thanh Tung, Microscopic structure of water/air, thiophene/air and

                                  water/thiophene interfaces by molecular dynamic simulations and second generation

                                  experiments

18:00-19:00               Poster session

19:00-20:00               DCP committee meeting

 

Wednesday, October 19

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Electrocatalysis and analytical devices

Discussion Leader: Christophe Innocent

9:00-9:40                   PRIX DE THESE

                                  Yaovi Holade, Design of metallic nanocatalysts for the electrochemical energy  

                                  conversion

9:40-10:10                 Michael Holzinger, Freestanding Carbon Nanotube Electrodes for Glucose Biofuel

                                  Cell design

10:10-10:40               Lin Zhang, Co-immobilization of redox proteins and catalyst at the electrode interface

                                  by ‘click’ reactions for enantioselective bioconversion experiments

10:40-11:00               Coffee break

11:00-11:30               Laurent Bouffier, Wireless Generation of Light at Bipolar Electrodes: From Light-

                                  Emitting Swimmers to 3-Dimensionnal Analytical Devices

11:30-12:00               Clémence Allain, Mechanofluorochromic molecular materials as potential local stress

                                  probes

12:00-12:30               Christelle Despas, High Frequency Impedance Measurement, a relevant tool to

                                  monitor the setting reaction of Apatitic Cement

12:30-14:00                Lunch

Biointerfaces : theory and experiments

Discussion Leader: Greta Heydenrych

14:00-14:40               INVITED LECTURE - MotomuTanaka, Dynamics of Soft, Biological Interfaces

14:40-15:10               Ewa Rogalska, Structure - membrane activity relationship in a family of peptide-based

                                  gemini amphiphiles: an insight from experimental and theoretical model systems

15:10-15:40               Romain Berraud-Pache, Theoretical study of a red-emiter of firefly oxyluciferin

15:40-16:00               Coffee break

16:00-16:30               Nicolas Chéron, On the role of water in enzyme catalysis

16:30-17:00               Antoine Carof, Simulation of Electron Transfer in Proteins

17:00-17:30               Halima Mouhib, Modeling the Intramolecular Interactions that initiate secretion of an

                                  Autotransporter protein

17:30-18:00               City walk to the Muséum Aquarium de Nancy (MAN)

18:00-19:00               Film du Chercheur at MAN

 

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Thursday, October 20

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Catalysis and environment

Discussion Leader: Tim Clark

9:00-9:40                   PRIX JEUNE CHERCHEUSE

                                  Céline Chizallet, Density Functional Theory Simulations of Complex Catalytic            

                                  Materials in Reactive Environment: Beyond the Ideal Surface at Low Coverage,

                                 Towards Predictive Kinetic Models

9:40-10:10                Michael Badawi, Use of density functional theory to design optimized zeolites for the

                                  selective capture iodine species in case of nuclear severe accident

10:10-10:40              Aurélien Moncomble, Modeling natural compound models in soils: an application of

                                 quantum chemistry to better understand their interactions in the environment

10:40-11:00               Coffee break

11:00-11:30              Juan-Carlos Lizardo-Huerta, Kinetic models for destruction of chemical warfare agents

11:30-12:00              Anant Dixit, Accurate ground-state correlation energies within the RPA and beyond:

                                 Theory and applications to molecules and zeolites

12:00-12:30               Eude Kpannieu, Etude de l’adsorption des ions phosphates en réacteurs batch et

                                  colonne par du schiste ardoisier de côte d’Ivoire

12:30-13:00               Concluding remarks