相关论文: Swallowing a cellular automaton pill: predicting d…

In this paper we develop two mathematical models to predict the release kinetics of a water soluble drug from a polymer/excipient matrix tablet. The first of our models consists of a random walk on a weighted graph, where the vertices of…

Local drug delivery has received much recognition in recent years, yet it is still unpredictable how drug efficacy depends on physicochemical properties and delivery kinetics. The purpose of the current study is to provide a useful…

Precipitation/dissolution reactions coupled with solute transport are modelled as a cellular automaton in which solute molecules perform a random walk on a regular lattice and react according to a local probabilistic rule. Stationary solid…

We construct a cellular automaton (CA) model that describes the movement of a particle in a disordered system. The mathematical properties of the CA model were examined by varying the configuration of grid and determining the number of…

We propose a mathematical model for computing drug release from multi-layer capsules. The diffusion problem in such heterogeneous layer-by-layer composite medium is described by a system of coupled partial differential equations, which we…

The Cellular Automaton (CA) modeling and simulation of solid dynamics is a long-standing difficult problem. In this paper we present a new two-dimensional CA model for solid dynamics. In this model the solid body is represented by a set of…

Releasing capsules are widely employed in biomedical applications as smart carriers of therapeutic agents, including drugs and bioactive compounds. Such delivery vehicles typically consist of a loaded core, enclosed by one or multiple…

Cellular Automata (CA), as they are presented in the literature, are abstract mathematical models of computation. In this pa- per we present an alternate approach: using the CA as a model or theory of physical systems and devices. While…

In this paper we use the cellular automaton (CA) approach to model one-dimensional binary diffusion in solids. Employing a very simple state change rule we define an asynchronous CA model and take its continuum limit to obtain the governing…

The transport and chemical reactions of solutes are modelled as a cellular automaton in which molecules of different species perform a random walk on a regular lattice and react according to a local probabilistic rule. The model describes…

Predicting the release performance of a drug delivery device is an important challenge in pharmaceutics and biomedical science. In this paper, we consider a multi-layer diffusion model of drug release from a composite spherical microcapsule…

This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…

A key step in the development of a new drug is the design of drug-excipient complexes that lead to an optimal drug release kinetics. Computational chemistry, specifically enhanced sampling molecular dynamics methods, can play a key role in…

Molecular communications is a promising framework for the design of controlled-release drug delivery systems. In this framework, drug carriers are modeled as transmitters, the diseased cells as absorbing receivers, and the channel between…

This study focuses on an extended model of a standard cellular automaton (CA) that includes an extra index consisting of a radius that defines a perception area for each cell in addition to the radius defined by the CA rule. Extended…

This study integrates pedestrian flow characteristics to formulate a mesoscopic cellular automata model tailored for simulating evacuations in large-scale scenarios. Departing from the conventional planar grid cell division, the model…

Nanoparticle drug carriers play an important role in facilitating efficient targeted drug delivery, i.e., improving treatment success and reducing drug costs and side effects. However, the mobility of nanoparticle drug carriers poses a…

We present a mechanistic model of drug release from a multiple emulsion into an external surrounding fluid. We consider a single multi-layer droplet where the drug kinetics are described by a pure diffusive process through different liquid…

In this work we develop and investigate mathematical and computational models that describe drug delivery from a contact lens during wear. Our models are designed to predict the dynamics of drug release from the contact lens and subsequent…

A framework for implementing reservoir computing (RC) and extreme learning machines (ELMs), two types of artificial neural networks, based on 1D elementary Cellular Automata (CA) is presented, in which two separate CA rules explicitly…