Thèses en cours

• Joseph Gerges, Etude numérique des facteurs physiques responsables de la capacité à vitrifier/recristalliser de matériaux modèles d’intérêt pharmaceutique. Thèse débutée en 2012.
• Martin Thierry Ottou Abe, Etat physique de matériaux moléculaires composés de petites molécules d'intérêt pharmaceutiques soumis à des variations de température. L'objectif général est d'analyser le lien entre la mobilité et l'organisation structurale induite par associaton des liaisons hydrogènes.
  THESE EN CO-TUTELLE AVEC LE PROF. NDJAKA DE L'UNIVERSITE YAOUNDE 1 (CAMEROUN). Thèse débutée en 2012.
• Samira Achir, Etude d’agents bioprotecteurs utilisés pour la stabilisation de matériaux biologiques à intérêt pharmaceutique par spectroscopie Raman et modélisation moléculaire . Thèse débutée en 2010. Co-directeur: Alain Hédoux.
• Rémy Dubois, Investigation numérique et expérimentale de la stabilité et de la solubilité des solides pharmaceutiques amorphes visant à améliorer la biodisponibilité des médicaments. Thèse débutée en 2010.

Thèses soutenues

• Rémi Busselez, Étude de fluides bioprotecteurs en confinement. Thèse soutenue en 2008. Co-directeur: Denis Morineau.
• Adrien Lerbret, Étude de l'action bioprotectrice des sucres : une investigation par dynamique moléculaire et spectroscopie Raman. Thèse soutenue en 2005. Co-directeurs: Alain Hédoux, Marc Descamps.

Communications récentes

16 communication(s) orale(s), dont 10 invité(e)s. 5 communication(s) par affiche. Liste détaillée.

Publications récentes

• 2013
  47. L. Duponchel, S. Laurette, B. Hatirnaz, A. Treizebre, F. Affouard, B. Bocquet, Terahertz microfluidic sensor for in situ exploration of hydration shell of molecules, Chemometrics and Intelligent Laboratory Systems 123 pp. 28-35 (2013) [doi: 10.1016/j.chemolab.2013.01.009]
  46. F. Affouard, M. T. Ottou abe, L. C. Valdes, N. T. Correia, Role of pre-peaks in glass-forming liquids, AIP Conference Proceedings pp. 121-127 (2013) [doi: 10.1063/1.4794558]
• 2012
  45. S. Laurette, A. Treizebre, A. Elagli, B. Hatirnaz, R. Froidevaux, F. Affouard, L. Duponchel, B. Bocquet, Highly sensitive terahertz spectroscopy in microsystem, RSC Advances 2 pp. 10064 (2012) [doi: 10.1039/c2ra21320f]
  44. A. Lerbret, F. Affouard, A. Hédoux, S. Krenzlin, J. Siepmann, M. C. Bellissent-funel, M. Descamps, How Strongly Does Trehalose Interact with Lysozyme in the Solid State? Insights from Molecular Dynamics Simulation and Inelastic Neutron Scattering, The Journal of Physical Chemistry B pp. 120829162846008 (2012) [doi: 10.1021/jp3058096]
  43. P. Derollez, Y. Guinet, F. Affouard, F. Danède, L. Carpentier, A. Hédoux, Structure determination ofL-arabinitol by powder X-ray diffraction, Acta Crystallographica Section B Structural Science 68 pp. 407-411 (2012) [doi: 10.1107/S0108768112019994]
• 2011
  42. S. Sengupta, F. Vasconcelos, F. Affouard, S. Sastry, Dependence of the fragility of a glass former on the softness of interparticle interactions , Journal of Chemical Physics 135 pp. 194503 (2011) [doi: 10.1063/1.3660201]
  41. R. Busselez, R. Lefort, A. Ghoufi, B. Beuneu, B. Frick, F. Affouard, D. Morineau, The non-Gaussian dynamics of glycerol, Journal of Physics: Condensed Matter 23 pp. 505102 (2011) [doi: 10.1088/0953-8984/23/50/505102]
  40. A. Lerbret, F. Affouard, P. Bordat, A. Hédoux, Y. Guinet, M. Descamps, Slowing down of water dynamics in disaccharide aqueous solutions , Journal of Non-Crystalline Solids 357 pp. 695-699 (2011) [doi: 10.1016/j.jnoncrysol.2010.05.092 ]
• 2010
  39. F. Affouard, N. T. Correia, Debye Process in Ibuprofen Glass-Forming Liquid: Insights from Molecular Dynamics Simulation, The Journal of Physical Chemistry B 114 pp. 11397-11402 (2010) [doi: 10.1021/jp1046358]
  38. S. Laurette, A. Treizebre, F. Affouard, B. Bocquet, Subterahertz characterization of ethanol hydration layers by microfluidic system, Applied Physics Letters 97 pp. 111904 (2010) [doi: 10.1063/1.3488832]
  37. J. A. Seo, A. Hédoux, Y. Guinet, L. Paccou, F. Affouard, A. Lerbret, M. Descamps, Thermal Denaturation of Beta-Lactoglobulin and Stabilization Mechanism by Trehalose Analyzed from Raman Spectroscopy Investigations, Journal of Physical Chemistry B 114 pp. 6675 (2010) [doi: 10.1021/jp1006022]
  36. S. Magazù, F. Migliardo, F. Affouard, M. Descamps, M. T. F. Telling, Study of the relaxational and vibrational dynamics of bioprotectant glass-forming mixtures by neutron scattering and molecular dynamics simulation, Journal of Chemical Physics 132 pp. 184512 (2010) [doi: 10.1063/1.3407428 ]
  35. P. Derollez, E. Dudognon, F. Affouard, F. Danède, N. Correia, M. Descamps, Ab initio structure determination of phase II of racemic ibuprofen by X-ray powder diffraction , Acta Crystallographica Section B 66 pp. 76-80 (2010) [doi: 10.1107/S0108768109047363]
• 2009
  34. F. Affouard, M. Descamps, L. C. Valdes, J. Habasaki, P. Bordat, K. L. Ngai, Breakdown of the Stokes-Einstein relation in Lennard-Jones glassforming mixtures with interaction potential , Journal of Chemical Physics 131 pp. 104510 (2009) [doi: 10.1063/1.3204063]
  33. R. Busselez, R. Lefort, Q. Ji, F. Affouard, D. Morineau, Molecular dynamics simulation of nanoconfined glycerol , Physical Chemistry Chemical Physics 11 pp. 11127 (2009) [doi: 10.1039/b911859d]
  32. A. Hédoux, J. F. Willart, L. Paccou, Y. Guinet, F. Affouard, A. Lerbret, M. Descamps, Thermostabilization mechanism of bovine serum albumine by trehalose , Journal of Physical Chemistry B 113 pp. 6119 (2009) [doi: 10.1021/jp900330r]
  31. A. Lerbret, F. Affouard, P. Bordat, A. Hédoux, Y. Guinet, M. Descamps, Low-frequency vibrational properties of lysozyme in sugar aqueous solutions: a Raman scattering and molecular dynamics simulation study , Journal of Chemical Physics 131 pp. 245103 (2009) [doi: 10.1063/1.3273218]
  30. L. C. Valdes, F. Affouard, M. Descamps, J. Habasaki, Mixing effects in glass-forming Lennard-Jones mixtures , Journal of Chemical Physics 130 pp. 154505 (2009) [doi: 10.1063/1.3106759]
• 2008
  29. F. Affouard, A. Lerbret, A. Hédoux, Y. Guinet, M. Descamps, Biopreservative capabilities of disaccharides on proteins: A study by molecular dynamics simulations , AIP Conference Proceedings 982 pp. 690-695 (2008) [doi: 10.1063/1.2897879]
  28. A. R. Brás, J. P. Noronha, A. M. M. Antunes, M. M. Cardoso, A. Schönhals, F. Affouard, M. Dionísio, N. Correia, Molecular motions in Amorphous Ibuprofen as Studied by Broadband Dielectric Spectroscopy , Journal of Physical Chemistry B 112 pp. 11087-11099 (2008) [doi: 10.1021/jp8040428]
  27. R. Busselez, C. Ecolivet, R. Guégan, R. Lefort, D. Morineau, B. Toudic, M. Guendouz, F. Affouard, Sliding and translational diffusion of molecular phases confined into nanotubes , International Journal of Nanotechnology 5 pp. 867-884 (2008) [doi: 10.1504/IJNT.2008.018704]
  26. J. Habasaki, F. Affouard, M. Descamps, K. L. Ngai, Molecular dynamics of generalized binary lennard-jones systems: Effects of anharmonicity and breakdown of the stokes-Einstein relation , AIP Conference Proceedings 982 pp. 154-159 (2008) [doi: 10.1063/1.2897773]
  25. A. Lerbret, F. Affouard, P. Bordat, A. Hédoux, Y. Guinet, M. Descamps, Molecular dynamics simulations of lysozyme in water/sugar solutions , Chemical Physics 345 pp. 267-274 (2008) [doi: 10.1016/j.chemphys.2007.09.011]
  24. S. Magazù, G. Maisano, F. Migliardo, G. Galli, A. Benedetto, D. Morineau, F. Affouard, M. Descamps, Characterization of molecular motions in biomolecular systems by elastic incoherent neutron scattering , Journal of Chemical Physics 129 pp. 155103 (2008) [doi: 10.1063/1.2989804]
• 2007
  23. P. Bordat, F. Affouard, M. Descamps, Effect of anharmonicity on the diffusion in glassforming binary Lennard-Jones systems , Journal of Non-Crystalline Solids 353 pp. 3924-3927 (2007) [doi: 10.1016/j.jnoncrysol.2007.02.065]
  22. A. Hédoux, F. Affouard, M. Descamps, Y. Guinet, L. Paccou, Microscopic description of protein thermostabilization mechanisms with disaccharides from Raman spectroscopy investigations , Journal of Physics Condensed Matter 19 pp. 205142 (2007) [doi: 10.1088/0953-8984/19/20/205142]
  21. A. Lerbret, P. Bordat, F. Affouard, A. Hédoux, Y. Guinet, M. Descamps, How do trehalose, maltose, and sucrose influence some structural and dynamical properties of lysozyme? Insight from molecular dynamics simulations , Journal of Physical Chemistry B 111 pp. 9410-9420 (2007) [doi: 10.1021/jp071946z]
• 2006
  20. F. Affouard, A. Lerbret, P. Bordat, M. Descamps, Biopreservation and homogeneity of sugar/water matrices: A comparative study by molecular modelling , AIP Conference Proceedings 832 pp. 123-127 (2006) [doi: 10.1063/1.2204472]
  19. P. Bordat, F. Affouard, M. Descamps, Molecular dynamics investigations of glassforming binary Lennard-Jones systems with different anharmonicities , Journal of Non-Crystalline Solids 352 pp. 4630-4634 (2006) [doi: 10.1016/j.jnoncrysol.2006.01.109]
  18. P. Bordat, A. Lerbret, M. Descamps, F. Affouard, Slow dynamics in glass-forming materials , Molecular Simulation 32 pp. 1057-1068 (2006) [doi: 10.1080/08927020600900329]
  17. A. Hédoux, R. Ionov, J. F. Willart, A. Lerbret, F. Affouard, Y. Guinet, M. Descamps, D. Prévost, L. Paccou, F. Danède, Evidence of a two-stage thermal denaturation process in lysozyme: a Raman scattering and differential scanning calorimetry investigation , Journal of Chemical Physics 124 pp. 014703-014710 (2006) [doi: 10.1063/1.2139087]
  16. A. Hédoux, J. F. Willart, R. Ionov, F. Affouard, Y. Guinet, L. Paccou, A. Lerbret, M. Descamps, Analysis of sugar bioprotective mechanisms on the thermal denaturation of lysozyme from Raman scattering and differential scanning calorimetry investigations , Journal of Physical Chemistry B 110 pp. 22886-22893 (2006) [doi: 10.1021/jp061568i]
  15. R. Ionov, A. Hédoux, Y. Guinet, P. Bordat, A. Lerbret, F. Affouard, D. Prevost, M. Descamps, Sugar bioprotective effects on thermal denaturation of lysozyme: Insights from Raman scattering experiments and molecular dynamics simulation , Journal of Non-Crystalline Solids 352 pp. 4430-4436 (2006) [doi: 10.1016/j.jnoncrysol.2006.01.105]
  14. C. Platteau, J. Lefebvre, S. Hemon, F. Affouard, J. F. Willart, P. Derollez, Ab initio structure determination of two anhydrous forms of α-lactose by powder X-ray diffraction , Zeitschrift fur Kristallographie Supplements 2006 pp. 595-600 (2006) [doi: 10.1524/zksu.2006.suppl_23.595]
  13. M. Ricker, F. Affouard, R. Schilling, M. Descamps, Glassy behavior of molecular crystals: A comparison between results from MD-simulation and mode coupling theory , Journal of Non-Crystalline Solids 352 pp. 4814-4820 (2006) [doi: 10.1016/j.jnoncrysol.2006.02.166]
• 2005
  12. A. Lerbret, P. Bordat, F. Affouard, Y. Guinet, A. Hedoux, L. Paccou, D. Prevost, M. Descamps, Influence of homologous disaccharides on the hydrogen bond network of water: Complementary Raman scattering experiments and molecular dynamics simulations, Carbohydrate Reseach 340 pp. 881 (2005) [doi: 10.1016/j.carres.2005.01.036]
  11. F. Affouard, P. Bordat, M. Descamps, A. Lerbret, S. Magazù, F. Migliardo, A. J. Ramirez-cuesta, M. F. T. Telling, A combined neutron scattering and simulation study on bioprotectant systems , Chemical Physics 317 pp. 258-266 (2005) [doi: 10.1016/j.chemphys.2005.05.033]
  10. F. Affouard, E. Cochin, F. Danède, R. Decressain, M. Descamps, W. Haeussler, Onset of slow dynamics in difluorotetrachloroethane glassy crystal , Journal of Chemical Physics 123 pp. 084501 (2005) [doi: 10.1063/1.1990111]
  9. F. Affouard, M. Descamps, Analogy of the slow dynamics between the supercooled liquid and supercooled plastic crystal states of difluorotetrachloroethane , Physical Review E 72 pp. 012501 (2005) [doi: 10.1103/PhysRevE.72.012501]
  8. J. Blieck, F. Affouard, P. Bordat, A. Lerbret, M. Descamps, Molecular dynamics simulations of glycerol glass-forming liquid , Chemical Physics 317 pp. 253-257 (2005) [doi: 10.1016/j.chemphys.2005.05.045]
  7. P. Derollez, N. Correia, F. Danède, F. Capet, F. Affouard, J. Lefebvre, M. Descamps, Ab initio structure determination of the high temperature phase of anhydrous caffeine by X-ray powder diffraction , Acta Crystallographica Section B 61 pp. 329-334 (2005) [doi: 10.1107/S010876810500546X]
  6. J. Lefebvre, J. F. Willart, V. Caron, R. Lefort, F. Affouard, F. Danède, Structure determination of the 1/1 alpha/beta mixed lactose by powder X-ray diffraction , Acta Crystallographica Section B 61 pp. 455-463 (2005) [doi: 10.1107/S0108768105017064]
  5. A. Lerbret, P. Bordat, F. Affouard, M. Descamps, F. Migliardo, How homogeneous are the trehalose, maltose and sucrose water solutions ? An Insight from Molecular Dynamics simulations , Journal of Physical Chemistry B 109 pp. 11046-1057 (2005) [doi: 10.1021/jp0468657]
  4. C. Platteau, J. Lefebvre, F. Affouard, J. F. Willart, P. Derollez, F. Mallet, Structure determination of the stable anhydrous phase of a-lactose from X-ray powder diffraction , Acta Crystallographica Section B 61 pp. 185 (2005) [doi: 10.1107/S0108768105000455 ]
• 2004
  3. F. Affouard, E. Cochin, R. Decressain, M. Descamps, W. Haeussler, Neutron Spin-Echo investigation of orientationally disordered crystal chloroadamantane , Physica b 350 pp. 1087-1089 (2004) [doi: 10.1016/j.physb.2004.03.296]
  2. P. Bordat, F. Affouard, M. Descamps, K. L. Ngai, Does the interaction potential determine both the fragility of a liquid and the vibrational properties of its glass , Physical Review Letters 93 pp. 105502-105505 (2004) [doi: 10.1103/PhysRevLett.93.105502]
  1. P. Bordat, A. Lerbret, F. Affouard, J. P. Demaret, M. Descamps, Comparative study of trehalose, sucrose and maltose in water solutions by molecular modelling , Europhysics Letters 65 pp. 41-47 (2004) [doi: 10.1209/epl/i2003-10052-0]