Dissolution of variable-in-shape drug particles via the level-set method

In this work, we deal with a mathematical model describing the dissolution process of irregularly shaped particles. In particular, we consider a complete dissolution model accounting for surface kinetics, convective diffusion, and relative velocity between fluid and dissolving particles, for three drugs with different solubility and wettability: theophylline, griseofulvin, and nimesulide. The possible subsequent recrystallization process in the bulk fluid is also considered. The governing differential equations are revisited in the context of the level-set method and Hamilton-Jacobi equations, then they are solved numerically. This choice allows us to deal with the simultaneous dissolution of hundreds of different polydisperse particles. We show the results of many computer simulations which investigate the impact of the particle size, shape, area/volume ratio, and the dependence of the interfacial mass transport coefficient on the surface curvature. • Dissolution process of many polydisperse drug particles is considered. • Level-set technique is used to solve numerically the governing equations. • Influence of particles shape and size on the dissolution process is investigated. • Highly nonlinear influence on local curvature is also studied. • Comparison of three drugs (theophylline, griseofulvin, nimesulide) is performed.

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Publication Details

Journal
Applied Mathematical Modelling
Published
2025-01-27
DOI
https://doi.org/10.1016/j.apm.2025.115966
Citations
1
Primary Topic
Drug Solubulity and Delivery Systems
Type
article
Field-Weighted Citation Impact
0.79

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article

Dissolution of variable-in-shape drug particles via the level-set method

Emiliano Cristiani, Mario Grassi, Giuseppe Pontrelli, Francesca L. Ignoto
1 citations
Applied Mathematical Modelling
Drug Solubulity and Delivery Systems
0.79
article

Dissolution of variable-in-shape drug particles via the level-set method

Emiliano Cristiani, Mario Grassi, Giuseppe Pontrelli, Francesca L. Ignoto
article en
1 citations

Abstract

In this work, we deal with a mathematical model describing the dissolution process of irregularly shaped particles. In particular, we consider a complete dissolution model accounting for surface kinetics, convective diffusion, and relative velocity between fluid and dissolving particles, for three drugs with different solubility and wettability: theophylline, griseofulvin, and nimesulide. The possible subsequent recrystallization process in the bulk fluid is also considered. The governing differential equations are revisited in the context of the level-set method and Hamilton-Jacobi equations, then they are solved numerically. This choice allows us to deal with the simultaneous dissolution of hundreds of different polydisperse particles. We show the results of many computer simulations which investigate the impact of the particle size, shape, area/volume ratio, and the dependence of the interfacial mass transport coefficient on the surface curvature. • Dissolution process of many polydisperse drug particles is considered. • Level-set technique is used to solve numerically the governing equations. • Influence of particles shape and size on the dissolution process is investigated. • Highly nonlinear influence on local curvature is also studied. • Comparison of three drugs (theophylline, griseofulvin, nimesulide) is performed.

Applied Mathematical ModellingVol. 142
University of Trieste (IT), Istituto per le Applicazioni del Calcolo Mauro Picone (IT), Sapienza University of Rome (IT)
Gruppo Nazionale per il Calcolo Scientifico
Openalex Percentile: Top 31%
Drug Solubulity and Delivery Systems
0.79
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Dissolution of variable-in-shape drug particles via the level-set method — Emiliano Cristiani, Mario Grassi, et al. · Applied Mathematical Modelling (2025) | TGRS Research Map | TGRS