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Adrien Lerbret

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How Accurate Is the Egg-Box Model in Describing the Binding of Calcium to Polygalacturonate? A Molecular Dynamics Simulation Study

Adrien Lerbret , Ali Assifaoui
Journal of Physical Chemistry B, 2022, 126 (48), pp.10206-10220. ⟨10.1021/acs.jpcb.2c05374⟩
Journal articles hal-03903181v1

Slow water dynamics in polygalacturonate hydrogels revealed by NMR relaxometry and molecular dynamics simulation

Philippe Bodart , Pierre Fouilloux , Adam Rachocki , Adrien Lerbret , Thomas Karbowiak
Carbohydrate Polymers, 2022, 298, pp.120093. ⟨10.1016/j.carbpol.2022.120093⟩
Journal articles hal-03775033v1

Evidence for an egg-box-like structure in iron( ii )–polygalacturonate hydrogels: a combined EXAFS and molecular dynamics simulation study

Aline Maire Du Poset , Andrea Zitolo , Fabrice Cousin , Ali Assifaoui , Adrien Lerbret
Physical Chemistry Chemical Physics, 2020, 22 (5), pp.2963-2977. ⟨10.1039/c9cp04065j⟩
Journal articles hal-02513922v1

Controlled loading and release of beta-lactoglobulin in calcium-polygalacturonate hydrogels

Aline Maire Du Poset , Mikaela Börjesson , Céline Rameau , Claire Madeleine-Perdrillat , Adrien Lerbret
Biomacromolecules, 2020, 21 (4), pp.1417-1426. ⟨10.1021/acs.biomac.9b01722⟩
Journal articles hal-02499464v1

Tuning the Structure of Galacturonate Hydrogels: External Gelation by Ca, Zn, or Fe Cationic Cross-Linkers

Aline Maire Du Poset , Adrien Lerbret , François Boué , Andrea Zitolo , Ali Assifaoui
Biomacromolecules, 2019, 20 (7), pp.2864-2872. ⟨10.1021/acs.biomac.9b00726⟩
Journal articles hal-02172219v1

Design of polygalacturonate hydrogels using iron (II) as cross-linkers : A promising route to protect bioavailable iron against oxidation

Ali Maire Du Poset , Adrien Lerbret , Andrea Zitolo , Fabrice Cousin , Ali Assifaoui
Carbohydrate Polymers, 2018, 188, pp.276 - 283. ⟨10.1016/j.carbpol.2018.02.007⟩
Journal articles hal-01895553v1

Specific binding of trivalent metal ions to λ -carrageenan

Yiping Cao , Shugang Li , Yapeng Fang , Katsuyoshi Nishinari , Glyn Phillips
International Journal of Biological Macromolecules, 2018, 109, pp.350 - 356. ⟨10.1016/j.ijbiomac.2017.12.095⟩
Journal articles hal-01690195v1

Molecular Packing, Hydrogen Bonding, and Fast Dynamics in Lysozyme/Trehalose/Glycerol and Trehalose/Glycerol Glasses at Low Hydration

Adrien Lerbret , Frederic Affouard
Journal of Physical Chemistry B, 2017, 121 (40), pp.9437 - 9451. ⟨10.1021/acs.jpcb.7b07082⟩
Journal articles hal-01666775v1

Binding of Divalent Cations to Polygalacturonate: A Mechanism Driven by the Hydration Water

Uyen T. D. Huynh , Adrien Lerbret , Fabrice Neiers , Odile Chambin , Ali Assifaoui
Journal of Physical Chemistry B, 2016, 120 (5), pp.1021 - 1032. ⟨10.1021/acs.jpcb.5b11010⟩
Journal articles hal-01501482v1

Binding characteristics of molecularly imprinted polymers based on fungicides in hydroalcoholic media

Manal Bitar , Elias Bou-Maroun , Adrien Lerbret , Naim N. Ouaini , Philippe Cayot
Journal of Separation Science, 2015, 38 (20), pp.3607-3614. ⟨10.1002/jssc.201500543⟩
Journal articles hal-02515789v1

Structural behaviour differences in low methoxy pectin solutions in the presence of divalent cations (Ca 2+ and Zn 2+ ): a process driven by the binding mechanism of the cation with the galacturonate unit

Ali Assifaoui , Adrien Lerbret , Thi Diem Uyen Huynh , Fabrice Neiers , Odile Chambin
Soft Matter, 2015, 11 (3), pp.551-560. ⟨10.1039/c4sm01839g⟩
Journal articles hal-02359075v1

Experimental design approach in the synthesis of molecularly imprinted polymers specific for iprodione fungicide

Manal Bitar , Jacqueline Maalouly , Hanna H. Chebib , Adrien Lerbret , Philippe Cayot
Reactive and Functional Polymers, 2015, 94, pp.17-24. ⟨10.1016/j.reactfunctpolym.2015.07.002⟩
Journal articles hal-02517385v1

Influence of pressure on the low-frequency vibrational modes of lysozyme and water: A complementary inelastic neutron scattering and molecular dynamics simulation study

Adrien Lerbret , Alain Hédoux , Burkhard Annighöfer , Marie-Claire Bellissent-Funel
Proteins - Structure, Function and Bioinformatics, 2013, 81 (2), pp.326-340. ⟨10.1002/prot.24189⟩
Journal articles hal-02971681v1

How Strongly Does Trehalose Interact with Lysozyme in the Solid State? Insights from Molecular Dynamics Simulation and Inelastic Neutron Scattering

Adrien Lerbret , Frédéric Affouard , Alain Hedoux , Stefanie Krenzlin , Juergen Siepmann
Journal of Physical Chemistry B, 2012, The Journal of Physical Chemistry B, 116, pp.11103-11116. ⟨10.1021/jp3058096⟩
Journal articles hal-02317903v1

Slowing down of water dynamics in disaccharide aqueous solutions

Adrien Lerbret , Frederic Affouard , Patrice Bordat , Alain Hédoux , Y. Guinet
Journal of Non-Crystalline Solids, 2011, 357 (2), pp.695--699. ⟨10.1016/j.jnoncrysol.2010.05.092⟩
Journal articles hal-01567167v1

Glucose interactions with a model peptide

Phillip Mason , Adrien Lerbret , Marie-Louise Saboungi , George Neilson , Christopher Dempsey
Proteins - Structure, Function and Bioinformatics, 2011, 79 (7), pp.2224-2232. ⟨10.1002/prot.23047⟩
Journal articles hal-02971709v1

Water Confined in Cylindrical Pores: A Molecular Dynamics Study

Adrien Lerbret , Gérald Lelong , Philip E. Mason , Marie-Louise Saboungi , John W. Brady
Food Biophysics, 2010, pp.1. ⟨10.1007/s11483-010-9191-y⟩
Journal articles hal-01015310v1

Molecular Dynamics and Neutron Scattering Study of Glucose Solutions Confined in MCM-41

Adrien Lerbret , G!erald Lelong , Philip E. Mason , Marie-Louise Saboung , John W. Brady
Journal of Physical Chemistry B, 2010, pp.1. ⟨10.1021/jp1097519⟩
Journal articles hal-01015242v1

Thermal Denaturation of Beta-Lactoglobulin and Stabilization Mechanism by Trehalose Analyzed from Raman Spectroscopy Investigations

Jeong-Ah Seo , Alain Hédoux , Yannick Guinet , Laurent Paccou , Frederic Affouard
Journal of Physical Chemistry B, 2010, Journal of Physical Chemistry B, 114, pp.6675. ⟨10.1021/jp1006022⟩
Journal articles hal-02318560v1

Molecular dynamics studies of the conformation of sorbitol

Adrien Lerbret , Philip E. Mason , R.M. Venable , A. Cesàro , Marie-Louise Saboungi
Carbohydrate Research, 2009, 344 (16), pp.2229-2235. ⟨10.1016/j.carres.2009.08.003⟩
Journal articles hal-02972051v1

Thermostabilization Mechanism of Bovine Serum Albumin by Trehalose

Alain Hédoux , Jean-François Willart , Laurent Paccou , Yannick Guinet , Frederic Affouard
Journal of Physical Chemistry B, 2009, 113 (17), pp.6119-6126. ⟨10.1021/jp900330r⟩
Journal articles hal-02972062v1

Low-frequency vibrational properties of lysozyme in sugar aqueous solutions: A Raman scattering and molecular dynamics simulation study

Adrien Lerbret , Frederic Affouard , Patrice Bordat , A. H́doux , Y. Guinet
Journal of Chemical Physics, 2009, 131 (24), ⟨10.1063/1.3273218⟩
Journal articles hal-01567170v1

Molecular dynamics simulations of lysozyme in water/sugar solutions

Adrien Lerbret , Frederic Affouard , Patrice Bordat , Alain Hédoux , Y. Guinet
Chemical Physics, 2008, 345 (2-3), pp.267--274. ⟨10.1016/j.chemphys.2007.09.011⟩
Journal articles hal-01567171v1

How do trehalose, maltose, and sucrose influence some structural and dynamical properties of lysozyme? Insight from molecular dynamics simulations

Adrien Lerbret , Patrice Bordat , Frederic Affouard , Alain Hédoux , Y. Guinet
Journal of Physical Chemistry B, 2007, 111 (31), pp.9410--9420. ⟨10.1021/jp071946z⟩
Journal articles hal-01567173v1
Image document

Slow dynamics in glass-forming materials

Frederic Affouard , Patrice Bordat , Adrien Lerbret , Marc Descamps
Molecular Simulation, 2007, 32 (12-13), pp.1057-1068. ⟨10.1080/08927020600900329⟩
Journal articles hal-00514999v1

Analysis of Sugar Bioprotective Mechanisms on the Thermal Denaturation of Lysozyme from Raman Scattering and Differential Scanning Calorimetry Investigations

Alain Hédoux , Jean-François Willart , R. Ionov , Frederic Affouard , Yannick Guinet
Journal of Physical Chemistry B, 2006, 110 (45), pp.22886-22893. ⟨10.1021/jp061568i⟩
Journal articles hal-02972127v1

Sugar bioprotective effects on thermal denaturation of lysozyme: Insights from Raman scattering experiments and molecular dynamics simulation

R. Ionov , Alain Hédoux , Y. Guinet , Patrice Bordat , Adrien Lerbret
Journal of Non-Crystalline Solids, 2006, 352 (42-49 SPEC. ISS.), pp.4430--4436. ⟨10.1016/j.jnoncrysol.2006.01.105⟩
Journal articles hal-01567178v1

Evidence of a two-stage thermal denaturation process in lysozyme: A Raman scattering and differential scanning calorimetry investigation

Alain Hédoux , R. Ionov , Jean-François Willart , Adrien Lerbret , Frederic Affouard
Journal of Chemical Physics, 2006, 124 (1), pp.014703. ⟨10.1063/1.2139087⟩
Journal articles hal-02972262v1

How homogeneous are the trehalose, maltose, and sucrose water solutions? An insight from molecular dynamics simulations

Adrien Lerbret , Patrice Bordat , Frederic Affouard , Michel Descamps , F. Migliardo
Journal of Physical Chemistry B, 2005, 109 (21), pp.11046--11057. ⟨10.1021/jp0468657⟩
Journal articles hal-01567180v1

A combined neutron scattering and simulation study on bioprotectant systems

F. Migliardo , A.J. Ramirez-Cuesta , M.F.T. Telling , Frederic Affouard , Patrice Bordat
Chemical Physics, 2005, 317 (2-3), pp.258--266. ⟨10.1016/j.chemphys.2005.05.033⟩
Journal articles hal-01567181v1

Molecular dynamics simulations of glycerol glass-forming liquid

J. Blieck , Frederic Affouard , Patrice Bordat , Adrien Lerbret , Michel Descamps
Chemical Physics, 2005, 317 (2-3), pp.253--257. ⟨10.1016/j.chemphys.2005.05.045⟩
Journal articles hal-01567182v1

Influence of homologous disaccharides on the hydrogen-bond network of water: Complementary Raman scattering experiments and molecular dynamics simulations

Adrien Lerbret , Patrice Bordat , Frederic Affouard , Y. Guinet , Alain Hédoux
Carbohydrate Research, 2005, 340 (5), pp.881--887. ⟨10.1016/j.carres.2005.01.036⟩
Journal articles hal-01567179v1

Comparative study of trehalose, sucrose and maltose in water solutions by molecular modelling

Patrice Bordat , Adrien Lerbret , J.-P. Demaret , Frederic Affouard , Michel Descamps
EPL - Europhysics Letters, 2004, 65 (1), pp.41--47. ⟨10.1209/epl/i2003-10052-0⟩
Journal articles hal-01567183v1

Molecular Modeling Investigation of Free Volume Distributions in Stiff Chain Polymers with Conventional and Ultrahigh Free Volume: Comparison between Molecular Modeling and Positron Lifetime Studies

Dieter Hofmann , Maria Entrialgo-Castano , Adrien Lerbret , Matthias Heuchel , Yuri Yampolskii
Macromolecules, 2003, 36 (22), pp.8528-8538. ⟨10.1021/ma034971l⟩
Journal articles hal-02972295v1

Protein-matrix interactions in trehalose/glycerol mixtures at low water contents

Adrien Lerbret , Frederic Affouard , Alain Hédoux , Marc Descamps
International Symposium On the Properties of Water, ISOPOW XIII, Jun 2016, Lausanne, Switzerland
Conference papers hal-02318516v1

Lyophilized proteins: influence of residual water on stability

Adrien Lerbret , Alain Hédoux , Yannick Guinet , Frederic Affouard
European/Japanese Molecular Liquids Group) annual meeting 2013, Sep 2013, Villeneuve d'Ascq, France
Conference papers hal-02318080v1

How strongly does trehalose interact with lysozyme at low water contents? Insights from molecular dynamics simulation and inelastic neutron scattering

Adrien Lerbret , Frédéric Affouard , Alain Hedoux , Stefanie Krenzlin , Juergen Siepmann
Frontiers in Water Biophysics, Sep 2012, Perugia, Italy
Conference papers hal-02317901v1

ROLE OF RESIDUAL WATER FOR THE STABILITY OF FREEZE-DRIED PROTEINS

Frederic Affouard , Adrien Lerbret
5th Discussion meeting on glass transition, Feb 2012, Sendai, Japan
Conference papers hal-02318524v1

Molecular dynamics simulation and Raman scattering study of lysozyme in disaccharide aqueous solutions

Adrien Lerbret , Frederic Affouard , Alain Hédoux , Yannick Guinet , Marc Descamps
Frontiers in Water Biophysics 2010, May 2010, Trieste, Italy
Conference papers hal-02318463v1

Biopreservation and homogeneity of sugar/water matrices: A comparative study by molecular modelling

Frederic Affouard , Adrien Lerbret , Patrice Bordat , Michel Descamps
AIP Conference Proceedings, 2006, Unknown, Unknown Region. pp.123--127, ⟨10.1063/1.2204472⟩
Conference papers hal-01567176v1
Image document

Etude de l'action bioprotectrice des sucres : une investigation par dynamique moléculaire et spectroscopie Raman

Adrien Lerbret
Biophysique [physics.bio-ph]. Université des Sciences et Technologie de Lille - Lille I, 2005. Français. ⟨NNT : ⟩
Theses tel-00011225v1