Frédéric AFFOUARD

Professor

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
Email : Send an email to Frédéric AFFOUARD
ORCID Identifier : 0000-0001-8429-6416

Research team: Matériaux moléculaires et thérapeutiques

Research

Physical states of molecular materials. Physical mechanisms of the glass transition of molecular materials composed of small organic molecules (glassy crystals, liquids). Optimization of the stability of biomolecules. Molecular dynamics simulation. Neutron scattering.

Teaching

Faculty of Sciences - Department of Physics : -  2nd and 3rd year: "Students Projects: Innovative Materials and Green chemistry" - Master1 (Physics of the XXIst century ): "Thermodynamics & Statistical Physics" - Master2: (Materials, Molecules and their Environnements) "Phase transformation", "Molecular modelling". Coordinator of the Erasmus Mundus BIOPHAM Master  "bio&Pharmaceutical Materials Science" https://www.master-biopham.eu

Current PhD thesis

• Fabien PUGA MONTESDEOCA, Etude numérique et expérimentale des intéractions intermoléculaires et du désordre dynamique dans les cocristaux d'intérêt pharmaceutique . Thesis started in 2023. Other co-advisor: Natalia CORREIA TEIXERA.

Defended PhD thesis

• Simon SAMSOEN, Design et caractérisation physique de matrices polymères pour l’optimisation de la libération de principes actifs pharmaceutiques . Thesis defended in 2024. Other co-advisors: Patrice WOISEL, Emeline DUDOGNON.
• Jeanne-Annick BAMA, Stabilité et mobilité des matériaux pharmaceutiques multi composants moléculaires . Thesis defended in 2021. Other co-advisor: Emeline DUDOGNON.
• Luisa ROCA PAIXAO, Investigation de l'état physique de nouveaux matériaux pour la formulation de molécules pharmaceutiques de très faible solubilité . Thesis defended in 2020. Other co-advisor: Natalia CORREIA TEIXERA.
• Frédéric NGONO MEBENGA, Study of amorphous pharmaceutical materials by molecular dynamics simulation and neutron scattering. Thesis defended in 2017. Other co-advisor: Jean-François WILLART.
• Joseph Gerges, Numerical study of the physical factors responsible for the ability to vitrify / recrystallization model material of pharmaceutical interest. Thesis defended in 2015. Position: Enseignant-Formateur.
• Martin Thierry Ottou Abe, Study by simulation of molecular dynamics of the structure and molecular mobility of complex materials of therapeutic interest
  THESIS COSUPERVISED WITH PROF. NDJAKA (UNIVERSITY YAOUNDE 1 CAMEROUN). Thesis defended in 2014. Position: Chargé de Recherche (Univ. Yaoundé I, Cameroun).
• Samira Achir, The protein stabilizing mechanisms investigated by Raman scattering and molecular dynamics simulations. Thesis defended in 2014. Other co-advisor: Alain HEDOUX. Position: Enseignante/Formatrice chez Université européenne des métiers de la finition CFA Gestes Formation.
• Rémy Dubois, Numerical and experimental investigation of the stability and solubility of amorphous pharmaceutical solids to improve the bioavailability of drugs. Thesis defended in 2013.
• Rémi Busselez, Study of bioprotectant fluids under confinement. Thesis defended in 2008. Other co-advisor: Denis Morineau.
• Adrien Lerbret, Study of the biopreservative capabilities of sugars: investigation from molecular dynamics and Raman spectroscopy. Thesis defended in 2005. Other co-advisors: Alain HEDOUX, Marc DESCAMPS. Position: Ingénieur de Recherche - Université de Bourgogne-AgroSup Dijon.

Latest scientific contributions in LillOA (Lille Open Archive)

Publications

21. A. Shagurin, F.-A. Miannay, M.G. Kiselev, P. Jedlovszky, F. Affouard, N. Idrissi, A. Idrissi, Widom Line in Supercritical Water in Terms of Changes in Local Structure: Theoretical Perspective, The Journal of Physical Chemistry Letters 15, 5831-5837 (2024), [doi: 10.1021/acs.jpclett.4c01142, LillOA]
20. S. Samsoen, E. Dudognon, G. Le Fer, D. Fournier, P. Woisel, F. Affouard, Impact of the Polymer Dispersity on the Properties of Curcumin/Polyvinylpyrrolidone Amorphous Solid Dispersions, International Journal of Pharmaceutics 653, 123895 (2024), [doi: 10.1016/j.ijpharm.2024.123895, LillOA]
19. M. Guerain, N. T. Correia, L.-V. Roca Paixao, H. Chevreau, F. Affouard, Using synchrotron high-resolution powder X-ray diffraction for the structure determination of a new cocrystal formed by two active principle ingredients, Acta Crystallographica Section C Structural Chemistry 80;2, 37-42 (2024), [doi: 10.1107/s2053229624000639, LillOA]
18. A. Shagurin, M. Kiselev, P. Jedlovszky, F. Affouard, N. Idrissi, Analysis of the effect of the translational-rotational coupling on the pseudo-diffusion along the molecular axes of meta-cresol: A molecular dynamics analysis, Journal of Molecular Liquids 390, (2023), [doi: 10.1016/j.molliq.2023.123181, LillOA]
17. T. Cordeiro, I. Matos, F. Danede, J.C. Sotomayor, I.M. Fonseca, M.C. Corvo, M. Dionísio, M.T. Viciosa, F. Affouard, N. T. Correia, Evidence of Strong Guest–Host Interactions in Simvastatin Loaded in Mesoporous Silica MCM-41, Pharmaceutics 15;5, 1320 (2023), [doi: 10.3390/pharmaceutics15051320, LillOA]
16. L.-V. Roca Paixao, N. T. Correia, F. Danede, M. Guerain, F. Affouard, Carbamazepine/Tartaric Acid Cocrystalline Forms: When Stoichiometry and Synthesis Method Matter, Crystal Growth & Design 23;3, 1355-1369 (2023), [doi: 10.1021/acs.cgd.2c00859, LillOA]
15. L.-V. Roca Paixao, N. T. Correia, F. Danede, M.T. Viciosa, A.L. Morritt, Y.Z. Khimyak, F. Affouard, Nature of the Structural and Dynamical Disorder in Organic Cocrystals with a True Nanometric Size Channel-Like Architecture, Crystal Growth & Design 23;1, 120-133 (2023), [doi: 10.1021/acs.cgd.2c00815, LillOA]
14. 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]
13. 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]
12. 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]
11. 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]
10. 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]
9. 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]
8. M.G. Kiselev, N. Idrissi, F. Affouard, The problems of solvation, complex formation and crystallization challenging the development of smart materials Preface, Journal of Molecular Liquids 300, (2020), [doi: 10.1016/j.molliq.2019.112197, 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]
6. 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]
5. 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]
4. 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]
3. 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]
2. 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]
1. 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]

Full list (The link could be slow)

Conference presentations

10. E. Dudognon, J.A. Bama, F. Affouard, Amorphous solid dispersions of Terfenadine into PVP: insights from the molecular mobility characterisation, Conférence invitée, 12th Conference on Broadband Dielectric Spectroscopy and its applications BDS 2024, Lisbon (Portugal), Portugal, Sep 2024 [LillOA]
9. S. Laurette, A. Treizebre, B. Hatirnaz, L. Duponchel, F. Affouard, B. Bocquet, Laboratoire sur puce pour la métrologie des liquides : l'exemple de l'hydratation des alcools, Communication dans un congrès sans actes, Journées Franco-Libanaises Physique et Interfaces, JFLPI, Villeneuve d'Ascq, France, Nov 2024 [LillOA]
8. F. Affouard, Applications de la modélisation moléculaire pour l'étude des matériaux pharmaceutiques, Séminaire de recherche, ORIL – SERVIER, Bolbec, France, Oct 2022 [LillOA]
7. J.A. Bama, E. Dudognon, F. Affouard, Impact of very low concentration of water on the dynamics of amorphous pharmaceuticals, Conférence invitée, International Conference on Science and Technology of Pharmaceutical Glass, Tsukuba, Japon, Aug 2023 [LillOA]
6. L.-V. Roca Paixao, N. T. Correia, F. Danede, M.T. Viciosa, A. Morritt, Y.Z. Khimyak, F. Affouard, Nature of the disorder in organic cocrystals of pharmaceutical interest with a channel-like architecture, Conférence invitée, 9th International Discussion Meeting on Relaxations in Complex Systems (9 IDMRCS), Chiba, Japon, Aug 2023 [LillOA]
5. F. Affouard, Dynamical disorder in pharmaceutical co-crystalline systems, Communication dans un congrès sans actes, VISCOUS LIQUIDS AND THE GLASS TRANSITION (XIX), Holbæk, Danemark, Jun 2023 [LillOA]
4. S. Samsoen, E. Dudognon, D. Fournier, G. Le Fer, P. Woisel, F. Affouard, Characterization of Curcumin/PVP amorphous solid dispersions, Poster, 4th European Conference on Pharmaceutics, Marseille, France, Mar 2023 [LillOA]
3. E. Dudognon, J.A. Bama, F. Affouard, Probing dynamics of an amorphous drug by Dielectric Relaxation Spectroscopy and MD simulations: effect of low concentration strongly hydrogen-bonded water, Communication dans un congrès sans actes, 11th Conference on Broadband Dielectric Spectroscopy and its Applications (BDS2022), San Sebastian, Espagne, Sep 2022 [LillOA]
2. S. Samsoen, E. Dudognon, G. Le Fer, D. Fournier, P. Woisel, F. Affouard, Solubility and stability of Curcumin inside well defined synthesised PVP matrices, Poster, 52èmes Journées de Calorimétrie et d’Analyse Thermique, Colmar, France, Jun 2022 [LillOA]
1. S. Samsoen, E. Dudognon, G. Le Fer, D. Fournier, F. Affouard, P. Woisel, Well-defined polymeric matrices for the understanding of amorphous solid dispersions, Poster, 13th World Meeting on Pharmaceutics, Biopharmaceutics and Pharmaceutical Technology, Rotterdam, Pays-Bas, Mar 2022 [LillOA]

Full list (The link could be slow)