Archivo de la categoría: Sin categoría

M. Quesada-Pérez, J. A. Maroto-Centeno, A. Martín-Molina, and A. Moncho-Jordá In this work, electrostatic forces between charged nanogels are explored through coarse-grained simulations. These simulations allow us to explicitly consider the complex topology of these nanoparticles and provide reliable force … Sigue leyendo →

G. J. Ojeda-Mendoza, A. Moncho-Jordá, P. González-Mozuelos, C. Haro-Pérez, and L. F. Rojas-Ochoa In this paper we study the structure and phase behavior of binary mixtures of charged particles at low ionic strength. Due to the large size asymmetry between … Sigue leyendo →

Luis Pérez-Mas, Alberto Martıín-Molina, Manuel Quesada-Pérez Arturo Moncho-Jordá In this work the equilibrium absorption of nanometric cosolutes (which could represent drugs, reactants, small globular proteins and other kind of biomacromolecules) inside neutral hydrogels is studied. We specially focus on exploring, … Sigue leyendo →

W.K. Kim, A. Moncho-Jordá, R. Roa, M. Kanduc, J. Dzubiella We study the partitioning of cosolute particles in a thin film of a semiflexible polymer network by a combination of coarse-grained (implicit-solvent) stochastic dynamics simulations and mean-field theory. We focus … Sigue leyendo →

I. Adroher-Benítez, A. Moncho-Jordá, G. Odriozola In this work, isotactic Poly (N-Isopropylacrylamide)—PNIPAM—in neat water and in electrolyte solutions is studied by means of molecular dynamics simulations. This is done for an infinitely diluted oligomer and for an assembly of several … Sigue leyendo →

I. Adroher-Benítez, A. Moncho-Jordá, J. Dzubiella We have theoretically studied the uptake of a nonuniformly charged biomolecule suitable for representing a globular protein or a drug by a charged hydrogel carrier in the presence of a 1:1 electrolyte. On the … Sigue leyendo →

I. Adroher-Benítez, A. Martín-Molina, S. Ahualli, M. Quesada-Pérez, G. Odriozola, A. Moncho-Jordá In this work the equilibrium distribution of ions around a thermo-responsive charged nanogel particle in an electrolyte aqueous suspension is explored using coarse-grained Monte Carlo computer simulations and … Sigue leyendo →

J. Maldonado-Valderrama, T. del Castillo-Santaella, I. Adroher-Benıítez, A. Moncho-Jordá, A. Martín-Molina Poly(N-vinylcaprolactam) (PVCL) is a new temperature-responsive type of polymer microgel with improved biocompatibility as compared to more commonly used poly(N-isopropylacrylamide) (PNIPAM). Both polymers swell at low temperatures and collapse … Sigue leyendo →

I. Adroher-Benítez, S. Ahualli, D. BAstos-González, J. Ramos, J. Forcada, A. Moncho-Jordá Here we study the influence of counterion valence and salt concentration on the effective charge of two types of thermoresponsive ionic microgel particles. The effective charge of the microgel … Sigue leyendo →

A. Moncho-Jordá, J. Dzubiella In this work a new density functional theory framework is developed to predict the salt-concentration dependent swelling state of charged microgels and the local concentration of monovalent ions inside and outside the microgel. For this purpose, … Sigue leyendo →