Xinyue Liu¹, Yunqiao Liu¹, Xiaobo Gong^1,*, Huaxiong Huang²

CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.2, pp. 281-300, 2018, DOI: 10.31614/cmes.2018.04989

Abstract In this work, a three-dimensional axisymmetric model with nanoparticle, receptor-ligand bonds and cell membrane as a system was used to study the quasi-static receptor-mediated endocytosis process of spherical nanoparticles in drug delivery. The minimization of the system energy function was carried out numerically, and the deformations of nanoparticle, receptor-ligand bonds and cell membrane were predicted. Results show that passive endocytosis may fail due to the rupture of receptor-ligand bonds during the wrapping process, and the size and rigidity of nanoparticles affect the total deformation energy and the terminal wrapping stage. Our results suggest that, in addition to the energy requirement,… More >

Eduardo M. B. Campello^1,2, Tarek I. Zohdi³

CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.2, pp. 221-245, 2014, DOI:10.3970/cmes.2014.098.221

Abstract This work deals with the bombardment of a stream of particles possessing varying mean particle size, velocity and aspect ratio into a cell that has fixed (known) compliance characteristics. The particles are intended to penetrate the cell membrane causing zero or minimum damage and deliver foreign substances (which are attached to their surfaces) to the interior of the cell. We adopt a particle-based (discrete element method) computational model that has been recently developed by the authors to describe both the incoming stream of particles and the cell membrane. By means of parametric numerical simulations, treating the stream’s mean particle size,… More >

J.A. Ferreira^2,3, P. de Oliveira², P. Silva⁴, J.N. Murta⁵

CMES-Computer Modeling in Engineering & Sciences, Vol.71, No.1, pp. 1-14, 2011, DOI:10.3970/cmes.2011.071.001

Abstract Mathematical models to describe drug concentration profiles of topically administered drug in the anterior chamber aqueous humor have been proposed by several authors. The aim of this paper is to present a mathematical model to predict the drug concentration in the anterior chamber when a therapeutical contact lens with the drug entrapped in nanoparticles is used. More >

J.A.Ferreira^2,3, P. Oliveira¹, P.M. Silva⁴, A. Carreira^5,3, J.N. Murta⁶

CMES-Computer Modeling in Engineering & Sciences, Vol.60, No.2, pp. 151-180, 2010, DOI:10.3970/cmes.2010.060.151

Abstract This paper focuses on the release of an ophthalmic drug (flurbiprofen) from a loaded copolymer where the drug is simultaneously dispersed in the polymeric matrix and entrapped in particles. The copolymer is based in 2-hydroxyethyl methacrylate co-methacrylic acid and silicone is used to prepare the loaded particles. A mathematical model to simulate the drug release is proposed and a qualitative analysis is performed. In vitro experimental results are compared with simulation results. Contact lens made from the presented copolymer are expected to deliver drug at therapeutical levels for a few days. More >