UMET - Liste des publications de Frédéric AFFOUARD

Publications in international research journals

• 2025
  47. E. Dudognon, J.A. Bama, F. Affouard, Exploring the Relationship Between Stability and Dynamics in Polymer-Based Amorphous Solid Dispersions for Pharmaceutical Applications, Polymers 17;9, 1210 (2025), [doi: 10.3390/polym17091210, LillOA]
  46. A. Shagurin, F.-A. Miannay, M.G. Kiselev, P. Jedlovszky, N. T. Correia, F. Affouard, N. Idrissi, Impact of Intermolecular Forces on Structural Changes and Local Density Fluctuations of CO ₂ in Liquid and Supercritical Phases., The Journal of Physical Chemistry Letters 16;11, 2778-2784 (2025), [doi: 10.1021/acs.jpclett.5c00073, LillOA]
• 2024
  45. 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]
  44. 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]
  43. 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]
• 2023
  42. 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]
  41. 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]
  40. 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]
  39. 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]
• 2022
  38. 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]
• 2021
  37. 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]
  36. 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]
  35. 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]
  34. 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]
  33. 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]
• 2020
  32. 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]
  31. 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]
  30. 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]
  29. 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]
  28. 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]
• 2019
  27. 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]
  26. 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]
  25. 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]
  24. 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]
• 2018
  23. 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]
  22. 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]
  21. 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]
• 2017
  20. 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]
• 2015
  18. 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]
  17. 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]
  16. M.T. Ottou Abe, N. T. Correia, L. Valdes, J. Ndjaka, F. Affouard, Local molecular organizations of ibuprofen, flurbiprofen and ketoprofen in the liquid phase: Insights from molecular dynamics simulations, Journal of Molecular Liquids 205, 74 (2015), [doi: 10.1016/j.molliq.2014.08.015, LillOA]
• 2014
  15. A.R. Brás, I.M. Fonseca, M. Dionísio, A. Schönhals, F. Affouard, N. T. Correia, Influence of Nanoscale Confinement on the Molecular Mobility of Ibuprofen, The Journal of Physical Chemistry C 140527133525002 (2014), [doi: 10.1021/jp500630m, LillOA]
  14. A.C. Rodrigues, M.T. Viciosa, F. Danede, F. Affouard, N. T. Correia, Molecular Mobility of AmorphousS-Flurbiprofen: A Dielectric Relaxation Spectroscopy Approach, Molecular Pharmaceutics 11, 112 (2014), [doi: 10.1021/mp4002188, LillOA]
• 2013
  13. F. Affouard, M.T. Ottou Abe, L. Valdes, N. T. Correia, Role of pre-peaks in glass-forming liquids, AIP Conference Proceedings 121-127 (2013), [doi: 10.1063/1.4794558, LillOA]
  12. 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, 28-35 (2013), [doi: 10.1016/j.chemolab.2013.01.009, LillOA]
• 2012
  11. 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, 10064 (2012), [doi: 10.1039/c2ra21320f, LillOA]
  10. A. Lerbret, F. Affouard, A. Hedoux, 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 116, 11103-11116 (2012), [doi: 10.1021/jp3058096, LillOA]
  9. P. Derollez, Y. Guinet, F. Affouard, F. Danede, L. Carpentier, A. Hedoux, Structure determination ofL-arabinitol by powder X-ray diffraction, Acta Crystallographica Section B Structural Science 68, 407-411 (2012), [doi: 10.1107/S0108768112019994, LillOA]
• 2011
  8. 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, 194503 (2011), [doi: 10.1063/1.3660201, LillOA]
  7. 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, 505102 (2011), [doi: 10.1088/0953-8984/23/50/505102, LillOA]
  6. A. Lerbret, F. Affouard, P. Bordat, A. Hedoux, Y. Guinet, M. Descamps, Slowing down of water dynamics in disaccharide aqueous solutions, Journal of Non-Crystalline Solids 357;2, 695-699 (2011), [doi: 10.1016/j.jnoncrysol.2010.05.092, LillOA]
• 2010
  5. P. Derollez, E. Dudognon, F. Affouard, F. Danede, N. T. Correia, M. Descamps, Ab initio structure determination of phase II of racemic ibuprofen by X-ray powder diffraction, Acta Crystallographica Section B 66, 76-80 (2010), [doi: 10.1107/S0108768109047363, LillOA]
  4. F. Affouard, N. T. Correia, Debye Process in Ibuprofen Glass-Forming Liquid: Insights from Molecular Dynamics Simulation, The Journal of Physical Chemistry B 114, 11397-11402 (2010), [doi: 10.1021/jp1046358, LillOA]
  3. S. Laurette, A. Treizebre, F. Affouard, B. Bocquet, Subterahertz characterization of ethanol hydration layers by microfluidic system, Applied Physics Letters 97, 111904 (2010), [doi: 10.1063/1.3488832, LillOA]
  2. J.-A. Seo, A. Hedoux, 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, 6675 (2010), [doi: 10.1021/jp1006022, LillOA]
  1. S. Magazù, F. Migliardo, F. Affouard, M. Descamps, M.F.T. 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, 184512 (2010), [doi: 10.1063/1.3407428, LillOA]