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Institut Jean Barriol
Université de Lorraine
Faculté des Sciences et Technologies
Boulevard des Aiguillettes
BP 70239
54506 Vandoeuvre-lès-Nancy

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Three federating - multidisciplinary projects have been designed for the period 2013-2017 in the Institute. They involve collaborations between Chemists, Physcists and Biologists and are in addition to the research projets elaborated by the four partners. To find out more on specific lab projets, visit the corresponding  websites: CRM2, LCPME, SRSMC, LCP-A2MC



M2H Thematic Axis

Molecular and Hybrid Materials

Coordinator: Cédric Carteret (LCPME)

Researchers at the Institute develop numerous molecular, supramolecular and macromolecular structures, both organic and inorganic than hybrid, organic-inorganic, designed from the infinitely small up to micro- and macroscopic objects, with specific properties. This research aims targeted applications and often takes advantage of methodological advances at the interface between chemistry and molecular physics. This axis is divided in two sub-axes. The first domain concerns the synthesis and the characterization of original hybrid and porous materials (i.e. ordered mesoporous oxides, hybrid organic- inorganic silica and lamellar materials) as well as their reactivity and development of their applications (nano- bioencapsulation - bioreactors, electrochemical sensors and bioelectrocatalysis , immobilization of pollutants and remediation, wastewater treatment by adsorption and catalysis) . The second sub- axis concerns the field of molecular materials (electro- and photo-actives, molecular electronics) and nanomaterials ( nanosemiconductors , nanomaterials with piezoelectric properties ).

Projects funded in 2013

  •  Covalent grafting of chromophores on carbon nanotubes for the two-photon spectroscopy.
    by A. Comel ( LCP- A2MC ), Mr. Dossot ( LCPME ) and V. Mamane ( SRSMC )
  • Magneto-responsive surfactants for electro-assisted self-assembly of magnetic mesoporous films ( MAG- FM)
    by Andreea Pasc ( SRSMC ) and Gregory Herzog ( LCPME )

GIXD pattern (A) and TEM (B, C) views of an electrodeposited mesoporous silica film



M3V Thematic Axis

Microorganisms, Macromolecules and Molecules for Life Sciences

Coordinator: Christophe Gantzer (LCPME)

This project focuses on the study of microorganisms (viruses and bacteria) and of the proteins/enzymes of environmental or medical interest. We seek ways to inactivate these biological targets by means of synthetic or natural substances. Such bioactive molecules are tested to assess their anti-viral/antibacterial activity, or their ability to interact with proteins (e.g. enzymatic inhibitors, protein-ligand interactions). The mechanisms through which their activity is carried out with respect to each specific biological target are investigated (effects on the biological membrane, study of the interactions with the viral life cycle, biofilm disorganization, interactions with an enzyme active site). We are also interested in the relation between the molecular structure of our biological targets and their specific activity (protein-ligand complex, ability of a virus to infect a cell depending on the protein capsid). The M3V axis is organized into two main research domains: inactivation of biologic targets by using specific molecules (synthesis, characterization and mechanism for the action of bioactive molecules) and investigation of the activity of the targets based on their molecular structure (structure-bioactivity relationship).



R12 Thematic Axis

Electron density and electronic structure, intermolecular interactions

Coordinators: Francesca Ingrosso (SRSMC), Sebastien Lebègue (CRM2)

This Thematic Axis stems from all the scientific activities carried out in the Jean Barriol Institute in the field of electron density and electronic structure and of intermolecular interactions.The main goals are characterizing such interactions by means of advanced electronic structure methods and of experimental measurements based on high resolution crystallography and spectroscopic properties. A key point is represented by the development of sophisticated force fields and simulation methodologies arising from multi-scale techniques and hybrid quantum-classical approaches. Models and methods developed in this framework will be exploited in applications studies to be performed in the context of the other two Thematic Axes of our Institute, devoted to more specific systems such as materials and molecule/macromolecules of biological interest. This project consist of three fundamental tasks: 1) Development and applications of theoretical approaches in the field of electronic structure calculations; 2) Development and applications of force fields and statistical mechanics techniques, to be able to treat complex systems and their interactions; 3) Development of new techniques to unravel the relationship between molecular properties and the topology of the electron density, by combining computations with spectroscopic and crystallographic data.

Projets funded in 2013:

  • Comparison between extremely localized molecular orbitals and transferable spherical pseudo-atoms for the reconstruction of polypeptide electron densities,
    by Alessandro Genoni (SRSMC) and Benoit Guillot (CRM2).
  • Development of quantum field theory and applications to solar energy technologies,
    by Dario Rocca (CRM2) and Antonio Monari (SRSMC).

Important dates
November 22, 2013
The first R12 Axis Annual Symposium was dedicated to experimental and theoretical
studies of Ionic Liquids.

QM/MM simulation of the water/hydrophobic medium phase transfer of the
valine amino acid