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Phenol release from pNIPAM hydrogels: scalingmolecular dynamics simulations with dynamicaldensity functional theory

H.A. Pérez-Ramírez, A. Moncho-Jordá, and G. Odriozola We employed molecular dynamic simulations (MD) and the Bennett’s acceptance ratio method to compute the free energy of transfer of phenol, methane, and 5-fluorouracil (5-FU), between bulk water and water–pNIPAM mixtures of different … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Phenol release from pNIPAM hydrogels: scalingmolecular dynamics simulations with dynamicaldensity functional theory

Controlling the anisotropic self-assembly of polybutadiene-grafted silica nanoparticles by tuning three-body interaction forces

B. Di Credico, G. Odriozola, S. Mascoto, A. Meyer, L. Tripaldi, and A. Moncho-Jordá Recently, the significant improvements in polymer composites properties have been mainly attributed to the ability of filler nanoparticles (NPs) to self-assemble into highly anisotropic self-assembled structures. … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Controlling the anisotropic self-assembly of polybutadiene-grafted silica nanoparticles by tuning three-body interaction forces

Active interaction switching controls the heterogeneous dynamics of soft colloidal disopersions

M. Bley, P.I. Hurtado, J. Dzubiella, and A. Moncho-Jordá We employ Reactive Dynamical Density Functional Theory (R-DDFT) and Reactive Brownian Dynamics (R-BD) simulations to investigate the dynamics of a suspension of active soft Gaussian colloids with binary interaction switching, i.e., a … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Active interaction switching controls the heterogeneous dynamics of soft colloidal disopersions

Active binary switching of soft colloids: stability and structural properties

M. Bley, J. Dzubiella, and A. Moncho-Jordá We employ reactive dynamical density functional theory (R-DDFT) and reactive Brownian dynamics (R-BD) simulations to study the non-equilibrium structure and phase behavior of an active dispersion of soft Gaussian colloids with binary interaction … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Active binary switching of soft colloids: stability and structural properties

Effects of Vimentin Intermediate Filaments on the Structure and Dynamics of In Vitro Multicomponent Cytoskeletal Networks

Y. Shen, H. Wu, P.J. Lu, D. Wang, M. Shayegan, H. Li, W. Shi, Z. Wang, L.-H. Cai, J. Xia, R. Ding, H. Herrmann, R. Goldman, F.C. MacKintosh, A. Moncho-Jordá, and D. Weitz We investigate the rheological properties of interpenetrating … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Effects of Vimentin Intermediate Filaments on the Structure and Dynamics of In Vitro Multicomponent Cytoskeletal Networks

Scaling Laws in the Diffusive Release of Neutral Cargo from Hollow Hydrogel Nanoparticles: Paclitaxel-Loaded Poly(4-vinylpyridine)

A. Moncho-Jordá, A.B. Jódar-Reyes, M. Kanduc, A. Germán-Bellod,  J.M. López-Romero, R. Contreras-Cáceres, F. Sarabia, M- García-Castro, H.A. Pérez-Ramírez, and G. Odriozola We study the nonequilibrium diffusive release of electroneutral molecular cargo encapsulated inside hollow hydrogel nanoparticles. We propose a theoretical … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Scaling Laws in the Diffusive Release of Neutral Cargo from Hollow Hydrogel Nanoparticles: Paclitaxel-Loaded Poly(4-vinylpyridine)

Controlling the microstructure and phase behavior of confined soft colloids by active interaction switching

A. Moncho Jordá and J. Dzubiella We explore the microstructure and phase behavior of confined soft colloids which can actively switch their interactions at a predefined kinetic rate. For this, we employ a reaction-diffusion approach based on a reactive dynamical … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Controlling the microstructure and phase behavior of confined soft colloids by active interaction switching

Electrostatic depletion effects on the stability of colloidal dispersions of sepiolite and natural rubber latex

I. Tagliaro, B. Di Credico, and A. Moncho-Jordá Biocomposites based on sepiolite (Sep) clays and natural rubber latex (NRL) are novel green synthetic materials with significant mechanical performance obtained by an eco-friendly and sustainable mixing procedure, without the use of … Sigue leyendo

Publicado en Sin categoría | Comentarios desactivados en Electrostatic depletion effects on the stability of colloidal dispersions of sepiolite and natural rubber latex

Crossover of the effective charge in ionic thermoresponsive hydrogel particle

A. Moncho-Jordá and M. Quesada-Pérez We use a generalized nonlinear Poisson-Boltzmann cell model that includes excluded-volume effects to investigate whether the effective charge (Zeff) of charged thermosensitive hydrogel particles increases or decreases upon the hydrogel thermal collapse. We find the … Sigue leyendo

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Non-Equilibrium Uptake of Molecular Cargo into Hollow Hydrogels Tuned by Electrosteric Interactions

A. Moncho-Jordá, A. Germán-Bellod, S. Angioletti-Uberti, I. Adroher-Benítez, and J. Dzubiella Hollow hydrogels represent excellent nano- and micro-carriers due to their ability to encapsulate and release large amounts of cargo molecules (cosolutes) such as reactants, drugs, and proteins. In this … Sigue leyendo

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