title: Computational modelling of local calcium ions release from calcium phosphate-based scaffolds.
abstract: A variety of natural or synthetic calcium phosphate (CaP)-based scaffolds are currently produced for dental and orthopaedic applications. These scaffolds have been shown to stimulate bone formation due to their biocompatibility, osteoconductivity and osteoinductivity. The release of the [Formula: see text] ions from these scaffolds is of great interest in light of the aforementioned properties. It can depend on a number of biophysicochemical phenomena such as dissolution, diffusion and degradation, which in turn depend on specific scaffold characteristics such as composition and morphology. Achieving an optimal release profile can be challenging when relying on traditional experimental work alone. Mathematical modelling can complement experimentation. In this study, the in vitro dissolution behaviour of four CaP-based scaffold types was investigated experimentally. Subsequently, a mechanistic finite element method model based on biophysicochemical phenomena and specific scaffold characteristics was developed to predict the experimentally observed behaviour. Before the model could be used for local [Formula: see text] ions release predictions, certain parameters such as dissolution constant ([Formula: see text]) and degradation constant ([Formula: see text]) for each type of scaffold were determined by calibrating the model to the in vitro dissolution data. The resulting model showed to yield release characteristics in satisfactory agreement with those observed experimentally. This suggests that the mathematical model can be used to investigate the local [Formula: see text] ions release from CaP-based scaffolds.
authors.affiliation: Biomechanics Research Unit, GIGA In Silico Medicine, U. Liège, Chemin des Chevreuils 1, B52/3, 4000, Liège, Belgium.|Biomechanics Section, Department of Mechanical Engineering, KU Leuven, Celestijnenlaan 300 C, Bus 2419, 3001, Heverlee, Belgium.|Prometheus, Division of Skeletal Tissue Engineering Leuven, KU Leuven, O&N 1, Herestraat 49, Bus 813, 3000, Leuven, Belgium.
authors.forename: Varun
authors.initials: V
authors.lastname: Manhas
authors.affiliation: Biomechanics Research Unit, GIGA In Silico Medicine, U. Liège, Chemin des Chevreuils 1, B52/3, 4000, Liège, Belgium.|Prometheus, Division of Skeletal Tissue Engineering Leuven, KU Leuven, O&N 1, Herestraat 49, Bus 813, 3000, Leuven, Belgium.
authors.forename: Yann
authors.initials: Y
authors.lastname: Guyot
authors.affiliation: Prometheus, Division of Skeletal Tissue Engineering Leuven, KU Leuven, O&N 1, Herestraat 49, Bus 813, 3000, Leuven, Belgium.|Tissue Engineering Unit, Skeletal Biology and Engineering Research Center, KU Leuven, O&N 1, Herestraat 49, Bus 831, 3000, Leuven, Belgium.
authors.forename: Greet
authors.initials: G
authors.lastname: Kerckhofs
authors.affiliation: Prometheus, Division of Skeletal Tissue Engineering Leuven, KU Leuven, O&N 1, Herestraat 49, Bus 813, 3000, Leuven, Belgium.|Tissue Engineering Unit, Skeletal Biology and Engineering Research Center, KU Leuven, O&N 1, Herestraat 49, Bus 831, 3000, Leuven, Belgium.
authors.forename: Yoke Chin
authors.initials: YC
authors.lastname: Chai
authors.affiliation: Biomechanics Research Unit, GIGA In Silico Medicine, U. Liège, Chemin des Chevreuils 1, B52/3, 4000, Liège, Belgium. liesbet.geris@ulg.ac.be.|Biomechanics Section, Department of Mechanical Engineering, KU Leuven, Celestijnenlaan 300 C, Bus 2419, 3001, Heverlee, Belgium. liesbet.geris@ulg.ac.be.|Prometheus, Division of Skeletal Tissue Engineering Leuven, KU Leuven, O&N 1, Herestraat 49, Bus 813, 3000, Leuven, Belgium. liesbet.geris@ulg.ac.be.
authors.forename: Liesbet
authors.initials: L
authors.lastname: Geris
mesh_terms: D002118:Calcium / Q000378:metabolism*; D002130:Calcium Phosphates / Q000737:chemistry; D006801:Humans; D007477:Ions / Q000378:metabolism*; D008954:Models, Biological; D010012:Osteogenesis / Q000502:physiology; D054457:Tissue Scaffolds
chemical_list: D002130:Calcium Phosphates; D007477:Ions; D002118:Calcium
keywords: Calcium phosphate (CaP)-based scaffold; Degradation; Diffusion; Dissolution; Finite element method (FEM); Mathematical model