François Bonhomme

Publications (4)9.42 Total impact

• Source

  Available from: Christian Jelsch

  Dataset: 2009 ActaCrystB Paracetamol

  Nouzha Bouhmaida, François Bonhomme, Benoît Guillot, Christian Jelsch, Nour Eddine Ghermani
• Article: Physico-chemical characterization of γ-amino n-butyric acid nanoparticles.

  Emma Dichi, Mehrez Sghaier, Bernard Fraisse, François Bonhomme
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  ABSTRACT: This work deals with the preparation and characterization of high-purity nanoparticles of γ-amino n-butyric acid (GABA) in order to enhance the efficiency of this drug. A sublimation procedure at low pressure was applied to GABA after improving the experimental parameters of this physical transformation. The elaboration of the molecule is solvent-free. The process does not change the chemical formula of the compound but modifies its physico-chemical characteristics. In this work, we present the experimental parameters for preparing monoclinic GABA nanoparticles. Their identification and physico-chemical properties were determined with a large number of investigations: Powder X-ray diffraction (PXRD), density and purity measurements, differential scanning calorimetry (DSC), thermo-gravimetric analysis (TGA), calorimetric measurements (ΔH(dissolution) and C(p)), thermally stimulated current (TSC), and electrochemical impedance.
  Chemical & pharmaceutical bulletin 01/2011; 59(6):703-9. · 1.70 Impact Factor
• Source

  Available from: Christian Jelsch

  Article: Charge density and electrostatic potential analyses in paracetamol.

  Nouzha Bouhmaida, François Bonhomme, Benoît Guillot, Christian Jelsch, Nour Eddine Ghermani
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  ABSTRACT: The electron density of monoclinic paracetamol was derived from high-resolution X-ray diffraction at 100 K. The Hansen-Coppens multipole model was used to refine the experimental electron density. The topologies of the electron density and the electrostatic potential were carefully analyzed. Numerical and analytical procedures were used to derive the charges integrated over the atomic basins. The highest charge magnitude (-1.2 e) was found for the N atom of the paracetamol molecule, which is in agreement with the observed nucleophilic attack occurring in the biological media. The electric field generated by the paracetamol molecule was used to calculate the atomic charges using the divergence theorem. This was simultaneously applied to estimate the total electrostatic force exerted on each atom of the molecule by using the Maxwell stress tensor. The interaction electrostatic energy of dimers of paracetamol in the crystal lattice was also estimated.
  Acta crystallographica. Section B, Structural science 07/2009; 65(Pt 3):363-74. · 1.80 Impact Factor
• Article: Electronic properties of 3,3'-dimethyl-5,5'-bis(1,2,4-triazine): towards design of supramolecular arrangements of N-heterocyclic Cu(I) complexes.

  Blandine Courcot, Diem Ngan Tran, Bernard Fraisse, François Bonhomme, Alain Marsura, Nour Eddine Ghermani
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  ABSTRACT: A new efficient and safe synthesis of 3,3'-dimethyl-5,5'-bis-(1,2,4-triazine) is presented. The electron-density distribution and electrostatic properties (charge, electrostatic potential) of this molecule were analyzed. These properties were derived from a high-resolution single-crystal X-ray diffraction experiment at 100 K and compared to the results obtained from ab initio DFT quantum-mechanical calculations. Comparisons of its electrostatic potential features and integrated atomic charges (quantum theory of atoms in molecules, QTAIM) have been made with those of related molecules such as bipyrimidine ligands. Two methods were used to derive integrated charges: one is based on the conventional analytical procedure and the second uses a steepest-ascent numerical algorithm. Excellent agreement was obtained between these two methods. Charges and electrostatic potential were used as predictive indices of metal chelation and discussed in the light of complexation abilities of the title compound and related molecules. The crystal structure of a Cu(I) complex of 3,3'-dimethyl-5,5'-bis(1,2,4-triazine) is reported here. In the solid state, this complex forms a three-dimensional multibranch network with open channels in which counterions and solvent molecules are located. This architecture involves both cis and trans isomers of the title compound.
  Chemistry 02/2007; 13(12):3414-23. · 5.93 Impact Factor