{"title":"Computational modelling of bone growth and mineralization surrounding biodegradable Mg-based and permanent Ti implants","authors":"Nik Pohl , Domenik Priebe , Tamadur AlBaraghtheh , Sven Schimek , Florian Wieland , Diana Krüger , Sascha Trostorff , Regine Willumeit-Römer , Ralf Köhl , Berit Zeller-Plumhoff","doi":"10.1016/j.csbj.2025.02.027","DOIUrl":null,"url":null,"abstract":"<div><div><em>In silico</em> testing of implant materials is a research area of high interest, as cost- and labour-intensive experiments may be omitted. However, assessing the tissue-material interaction mathematically and computationally can be very complex, in particular when functional, such as biodegradable, implant materials are investigated. In this work, we expand and refine suitable existing mathematical models of bone growth and magnesium-based implant degradation based on ordinary differential equations. We show that we can simulate the implant degradation, as well as the osseointegration in terms of relative bone volume fraction and changes in bone ultrastructure when applying the model to experimental data from titanium and magnesium-gadolinium implants for healing times up to 32 weeks. An additional sensitivity analysis highlights important parameters and their interactions. Moreover, we show that the model is predictive in terms of relative bone volume fraction with mean absolute errors below 6%.</div></div>","PeriodicalId":10715,"journal":{"name":"Computational and structural biotechnology journal","volume":"27 ","pages":""},"PeriodicalIF":4.4000,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational and structural biotechnology journal","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2001037025000571","RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
In silico testing of implant materials is a research area of high interest, as cost- and labour-intensive experiments may be omitted. However, assessing the tissue-material interaction mathematically and computationally can be very complex, in particular when functional, such as biodegradable, implant materials are investigated. In this work, we expand and refine suitable existing mathematical models of bone growth and magnesium-based implant degradation based on ordinary differential equations. We show that we can simulate the implant degradation, as well as the osseointegration in terms of relative bone volume fraction and changes in bone ultrastructure when applying the model to experimental data from titanium and magnesium-gadolinium implants for healing times up to 32 weeks. An additional sensitivity analysis highlights important parameters and their interactions. Moreover, we show that the model is predictive in terms of relative bone volume fraction with mean absolute errors below 6%.
期刊介绍:
Computational and Structural Biotechnology Journal (CSBJ) is an online gold open access journal publishing research articles and reviews after full peer review. All articles are published, without barriers to access, immediately upon acceptance. The journal places a strong emphasis on functional and mechanistic understanding of how molecular components in a biological process work together through the application of computational methods. Structural data may provide such insights, but they are not a pre-requisite for publication in the journal. Specific areas of interest include, but are not limited to:
Structure and function of proteins, nucleic acids and other macromolecules
Structure and function of multi-component complexes
Protein folding, processing and degradation
Enzymology
Computational and structural studies of plant systems
Microbial Informatics
Genomics
Proteomics
Metabolomics
Algorithms and Hypothesis in Bioinformatics
Mathematical and Theoretical Biology
Computational Chemistry and Drug Discovery
Microscopy and Molecular Imaging
Nanotechnology
Systems and Synthetic Biology