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Unité Matériaux et Transformations
CNRS UMR 8207 - Université de Lille

AFFOUARD Frédéric
Frédéric AFFOUARD
Professeur Université de Lille, Directeur Adjoint du Laboratoire
Bâtiment P5 - 221
Unité Matériaux et Transformations
Cité scientifique, Bât. P5
Université de Lille
59655 Villeneuve d'Ascq
France
Tel: +33 (0)3 20 43 68 15
Fax: +33 (0)3 20 43 40 84
Courriel Envoyer un mel à  Frédéric AFFOUARD: Envoyer un mel à Frédéric AFFOUARD
Identifiant ORCID 0000-0001-8429-6416: 0000-0001-8429-6416

Recherche

Etat physique des matériaux moléculaires et transformations. Compréhension des mécanismes physiques de la transition vitreuse de matériaux moléculaires composés de petites molécules organiques (cristaux vitreux, liquides). Optimisation de la stabilité des biomolécules. Simulation de dynamique moléculaire. Diffusion neutronique.

Enseignement

Enseignements au Département de Physique de la Faculté des Sciences: - L2/L3: UE "Projet Etudiant (PE) : Matériaux Innovants et Chimie Verte"- Master1 ( Physics of the XXIst century ): "Thermodynamics & Statistical Physics"- Master2: "Transformations de phases" et "Modélisation".   Coordinateur du Master Erasmus Mundus BIOPHAM "bio&Pharmaceutical Materials Science"        https://www.master-biopham.eu

Thèses en cours

Thèses soutenues

Derniers dépôts dans dans LillOA (Lille Open Archive)

Publications

  1. K. Koperwas, F. Kaśkosz, A. Grzybowski, M. Paluch, F. Affouard, The role of the diffusion in the predictions of the classical nucleation theory for quasi-real systems differ in dipole moment value, Scientific Reports 12;1, (2022), [doi: 10.1038/s41598-022-13715-y, LillOA]
  2. M. Guerain, F. Affouard, C. Henaff, C. Dejoie, F. Danede, J. Siepmann, F. Siepmann, J.-F. willart, Structure determination of riboflavin by synchrotron high-resolution powder X-ray diffraction, Acta Crystallographica Section C Structural Chemistry 77;12, 800-806 (2021), [doi: 10.1107/s2053229621012171, LillOA]
  3. B. Atawa, N. Couvrat, F. Affouard, N. T. Correia, G. Coquerel, A. Saiter-Fourcin, Impact of chirality on the amorphous state of conglomerate forming systems: a case study of N-acetyl-α-methylbenzylamine, Physical Chemistry Chemical Physics 23;42, 24282-24293 (2021), [doi: 10.1039/d1cp03843e, LillOA]
  4. K. Koperwas, W. Tu, F. Affouard, K. Adrjanowicz, F. Kaskosz, M. Paluch, Pressure Dependence of the Crystallization Rate for the S-Enantiomer and a Racemic Mixture of Ibuprofen, Crystal Growth & Design (2021), [doi: 10.1021/acs.cgd.1c00980, LillOA]
  5. Z. Li, J. Wang, S. Pan, F. Affouard, S. Zhang, S. Feng, Y. Liu, L.-m. Wang, A new criterion for glass-forming ability based on both devitrification and solidification processes, Intermetallics 136, 107264 (2021), [doi: 10.1016/j.intermet.2021.107264, LillOA]
  6. J.A. Bama, E. Dudognon, F. Affouard, Impact of Low Concentration of Strongly Hydrogen-Bonded Water Molecules on the Dynamics of Amorphous Terfenadine: Insights from Molecular Dynamics Simulations and Dielectric Relaxation Spectroscopy, The Journal of Physical Chemistry B 125;40, p. 11292-11307 (2021), [doi: 10.1021/acs.jpcb.1c06087, LillOA]
  7. M. Guerain, P. Derollez, L.-V. Roca Paixao, C. Dejoie, N. T. Correia, F. Affouard, Structure determination of Carbamazepine/DL-TA co-crystal by synchrotron powder X-ray diffraction, Acta Crystallographica Section C Structural Chemistry 76, (2020), [LillOA]
  8. F. Ngono, G.J. Cuello, M. Jimenez-Ruiz, J.-F. willart, M. Guerain, A.R. Wildes, A. Stunault, M. Hamoudi, F. Affouard, Morphological and structural properties of amorphous lactulose studied by scanning electron microscopy, polarised neutron scattering, and molecular dynamics simulations, Molecular Pharmaceutics 17, 10-20 (2020), [doi: 10.1021/acs.molpharmaceut.9b00767, LillOA]
  9. F. Ngono, J.-F. willart, G.J. Cuello, M. Jimenez-Ruiz, M. Hamoudi, F. Affouard, Impact of amorphisation methods on the physico-chemical properties of amorphous lactulose, Molecular Pharmaceutics 17, 1-9 (2020), [doi: 10.1021/acs.molpharmaceut.9b00740, LillOA]
  10. J. Gerges, F. Affouard, Insight from molecular dynamics simulations on the crystallization tendency of indomethacin polymorphs in the undercooled liquid state, Journal of Pharmaceutical Sciences 109, 1086-1095 (2020), [doi: 10.1016/j.xphs.2019.10.054, LillOA]
  11. E. Dudognon, F. Affouard, J.A. Bama, Molecular Mobility of Terfenadine: Investigation by Dielectric Relaxation Spectroscopy and Molecular Dynamics Simulation, Molecular Pharmaceutics 16;11, 4711-4724 (2019), [doi: 10.1021/acs.molpharmaceut.9b00877, LillOA]
  12. L.-V. Roca Paixao, N. T. Correia, F. Affouard, Affinity prediction computations and mechanosynthesis of carbamazepine based cocrystals, Crystengcomm 21;45, 6991-7001 (2019), [doi: 10.1039/c9ce01160a, LillOA]
  13. F. Ngono Mebenga, J.-F. willart, G.J. Cuello, M. Jimenez-Ruiz, F. Affouard, Lactulose: a model system to investigate solid state amorphization induced by milling, Journal of Pharmaceutical Sciences 108, 880-887 (2019), [doi: 10.1016/j.xphs.2018.09.013, LillOA]
  14. B. Atawa, N. T. Correia, N. Couvrat, F. Affouard, G. Coquerel, E. Dargent, A. Saiter, Molecular Mobility of Amorphous N-Acetyl-α-Methylbenzylamine and Debye Relaxation evidenced by Dielectric Relaxation Spectroscopy and Molecular Dynamic Simulations, Physical Chemistry Chemical Physics 21, 702 - 717 (2019), [doi: 10.1039/C8CP04880K, LillOA]
  15. M.T. Ottou Abe, M.T. Viciosa, N. T. Correia, F. Affouard, Impact of chirality on peculiar ibuprofen molecular dynamics: hydrogen bonding organization and syn vs. anti carboxylic group conformations, Physical Chemistry Chemical Physics 20, 29528-29538 (2018), [doi: 10.1039/C8CP04837A, LillOA]
  16. A. Bourdet, A. Esposito, S. Thiyagarajan, L. Delbreilh, F. Affouard, R.J.I. Knoop, E. Dargent, Molecular Mobility in Amorphous Biobased Poly(ethylene 2,5-furandicarboxylate) and Poly(ethylene 2,4-furandicarboxylate), Macromolecules 51, 1937-1945 (2018), [doi: 10.1021/acs.macromol.8b00108, LillOA]
  17. L. Valdes, J. Gerges, T. Mizuguchi, F. Affouard, Crystallization tendencies of modelled Lennard-Jones liquids with different attractions, The Journal of Chemical Physics 148, 14501 (2018), [doi: 10.1063/1.5004659, LillOA]
  18. K. Koperwas, F. Affouard, J. Gerges, K. Adrjanowicz, L. Valdes, M. Paluch, Influence of pressure on the crystallization of systems characterized by different intermolecular attraction, Physical Review B 96, (2017), [doi: 10.1103/PhysRevB.96.224106, LillOA]
  19. A. Lerbret, F. Affouard, Molecular Packing, Hydrogen Bonding, and Fast Dynamics in Lysozyme/Trehalose/Glycerol and Trehalose/Glycerol Glasses at Low Hydration, The Journal of Physical Chemistry B 121, 9437-9451 (2017), [doi: 10.1021/acs.jpcb.7b07082, LillOA]
  20. M.T. Ottou Abe, N. T. Correia, J. Ndjaka, F. Affouard, A comparative study of ibuprofen and ketoprofen glass-forming liquids by molecular dynamics simulations, The Journal of Chemical Physics 143, 164506 (2015), [doi: 10.1063/1.4933430, LillOA]
  21. J. Gerges, F. Affouard, Predictive Calculation of the Crystallization Tendency of Model Pharmaceuticals in the Supercooled State from Molecular Dynamics Simulations, The Journal of Physical Chemistry B 119, 10768-10783 (2015), [doi: 10.1021/acs.jpcb.5b05557, LillOA]

Liste complète (Le lien peut être lent)

Communications

  1. J.-A. Bama, E. Dudognon, F. Affouard, Investigation by Dielectric Relaxation Spectroscpy and Molecular Dynamics simulations of the influence on amorphous Terfenadine dynamics of strongly Hydrogen-bonded water molecules, Communication dans un congrès sans actes, GDR 2035 SolvATE : Journées SolvATE 2021, Villeneuve d'Ascq, France, Déc 2021 [LillOA]
  2. L.-V. Roca Paixao, M.T. Viciosa, N. T. Correia, F. Affouard, Dynamical disorder in the solid state: Insights from dielectric relaxation spectroscopies, Poster, 32nd European Crystallographic Meeting (ECM32), Vienna, Autriche, Aou 2019 [LillOA]
  3. L.-V. Roca Paixao, F. Danede, M. Guerain, N. T. Correia, F. Affouard, Affinity Prediction And Synthesis Of Carbamazepine-based Cocrystals, Poster, 17th European Conference on Solid State Chemistry (ECSSC17), Villeneuve d'Ascq, France, Sep 2019 [LillOA]
  4. M. Guerain, P. Derollez, C. Dejoie, N. T. Correia, F. Danede, F. Affouard, L. Paccou, Y. Guinet, A. Hedoux, C. Dejoie, Analyse structurale de matériaux moléculaires thérapeutiques cocristallisés par diffraction des rayons X, Communication dans un congrès sans actes, Rayons X et Matière 2019, Nancy, France, Nov 2019 [LillOA]
  5. L.-V. Roca Paixao, F. Affouard, N. T. Correia, Carbamazepine cocrystals revisited, Communication dans un congrès sans actes, BIOFIT MARSEILLE - INTERREG 2 Seas IMODE Project Fourth annual convention, Marseille, France, Déc 2019 [LillOA]
  6. J.A. Bama, E. Dudognon, F. Affouard, Investigation of complex molecular dynamics in multi-component systems, Communication dans un congrès sans actes, BIOFIT MARSEILLE - INTERREG 2 Seas IMODE Project Fourth annual convention, Marseille, France, Déc 2019 [LillOA]
  7. J.A. Bama, E. Dudognon, F. Affouard, Investigation of amorphous solid solution of pharmaceutical interest obtained by grinding, Poster, 17th European Conference on Solid Sate Chemistry (ECSSC17), Villeneuve d'Ascq, France, Sep 2019 [LillOA]
  8. F. Affouard, Contribution of MD simulations for the understanding of the structural, dynamical and thermodynamical properties of molecular liquids, Communication dans un congrès sans actes, Atelier sur les Solvants Eutectiques Profonds organisé par le GDR SolvATE, Rennes, France, Oct 2019 [LillOA]
  9. J.A. Bama, E. Dudognon, F. Affouard, CARACTERISATION D’UN MELANGE PHARMACEUTIQUE PRINCIPE ACTIF-EXCIPIENT POLYMERE, Communication dans un congrès sans actes, 50ème Journées de Calorimétrie et d’Analyse Thermique, Saint-Valéry en Caux, France, Juin 2019 [LillOA]
  10. L.-V. Roca Paixao, F. Ngono Mebenga, J.-F. willart, G.J. Cuello, M. Jimenez-Ruiz, N. T. Correia, F. Affouard, Manipulation of the crystalline and amorphous physical states of pharmaceutical materials: possibilities, limits and challenges, Conférence invitée, 32nd European Crystallographic Meeting (ECM32), Vienna, Autriche, Aou 2019 [LillOA]

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UMET - Unité Matériaux et Transformations
CNRS UMR 8207
Université de Lille
Bâtiment C6
59655 Villeneuve d'Ascq
France
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