Výsledky vyhledávání - "H. A. Pérez-Ramírez"

Phenol release from pNIPAM hydrogels: scaling molecular dynamics simulations with dynamical density functional theory

Autor: H. A. Pérez-Ramírez, A. Moncho-Jordá, G. Odriozola

Publikováno v: Soft matter. 18(43)

We obtain the microgel extent of release by feeding free energies and diffusion coefficients from MD to DDFT. We found a good agreement with the available experimental data for pNIPAM particles loaded with phenol.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40bfeb18a6658eb0f607962f09749971
https://pubmed.ncbi.nlm.nih.gov/36278506

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

Autor: Rafael Contreras-Cáceres, H. A. Pérez-Ramírez, Arturo Moncho-Jordá, Francisco Sarabia, Miguel Garcia‐Castro, Gerardo Odriozola, Alicia Germán-Bellod, Juan Manuel López-Romero, Matej Kanduč, Ana Belén Jódar-Reyes

Publikováno v: ACS Nano. 14:15227-15240

We study the nonequilibrium diffusive release of electroneutral molecular cargo encapsulated inside hollow hydrogel nanoparticles. We propose a theoretical model that includes osmotic, steric, and short-range polymer-cargo attractions to determine th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::feadec5f44a43935c2ceaa0719ca72cb
https://doi.org/10.1021/acsnano.0c05480

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Effect of Temperature on the Cononsolvency of Poly(N-isopropylacrylamide) (PNIPAM) in Aqueous 1-Propanol

Autor: Gerardo Odriozola, Catalina Haro-Pérez, H. A. Pérez-Ramírez

Publikováno v: ACS Applied Polymer Materials. 1:2961-2972

The wide range of applications of poly(N-isopropylacrylamide) (PNIPAM) is based on the temperature dependence of its coil-to-globule transition, which strongly relies on the solvent. Here, we focus...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2bec26ee2a75205d2f0edd5a62ee9628
https://doi.org/10.1021/acsapm.9b00665

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P-NIPAM in water–acetone mixtures: experiments and simulations

Autor: Catalina Haro-Pérez, H. A. Pérez-Ramírez, Gustavo Bautista-Carbajal, Gerardo Odriozola, J. Klapp, E. Vázquez-Contreras

Publikováno v: Physical Chemistry Chemical Physics. 21:5106-5116

The lower critical solution temperature (LCST) of poly-N-isopropylacrylamide (p-NIPAM) diminishes when a small volume of acetone is added to the aqueous polymer solution, and then increases for further additions, producing a minimum at a certain acet

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b02e0737ef0c53d941ee9b15d1dde4c0
https://doi.org/10.1039/c8cp07549b

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A coil-to-globule transition capable coarse-grained model for poly(N-isopropylacrylamide)

Autor: H. A. Pérez-Ramírez, Gerardo Odriozola

Publikováno v: Physical chemistry chemical physics : PCCP. 22(32)

We present a model for mesoscopic molecular dynamics simulations of poly(N-isopropyl-acrylamide) (pNIPAM). The model uses a coarse-grained scheme based on the explicit-solvent Martini force field. The mapping of the polymer accounts for three beads p

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2be29fc0d45aaa7ec088fae68a2f111
https://pubmed.ncbi.nlm.nih.gov/32744283

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