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A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril

Bone tissue is a hierarchically structured material composed at the nanoscale by an organic matrix of collagen type I, apatite mineral and water. We considered an idealized 3D geometrical model of the mineralized collagen fibril in order to analyze the influence of structural factors, i.e. tortuosit...

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Autores principales: Bini, Fabiano, Pica, Andrada, Marinozzi, Andrea, Marinozzi, Franco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6389916/
https://www.ncbi.nlm.nih.gov/pubmed/30804401
http://dx.doi.org/10.1038/s41598-019-39297-w
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author Bini, Fabiano
Pica, Andrada
Marinozzi, Andrea
Marinozzi, Franco
author_facet Bini, Fabiano
Pica, Andrada
Marinozzi, Andrea
Marinozzi, Franco
author_sort Bini, Fabiano
collection PubMed
description Bone tissue is a hierarchically structured material composed at the nanoscale by an organic matrix of collagen type I, apatite mineral and water. We considered an idealized 3D geometrical model of the mineralized collagen fibril in order to analyze the influence of structural factors, i.e. tortuosity, constrictivity, on the water effective diffusivity. The average values of the factors investigated in the diffusivity are computed on 5000 iterations by means of the Montecarlo method. The input parameters of the numerical model are the geometrical dimensions of the apatite mineral, collagen fibrils and their spatial orientation obtained with random extractions from Gaussian probability distribution functions. We analyzed the diffusion phenomenon for concentration gradients parallel to three orthogonal directions (Length, Width and Thickness) and for different scenarios, namely low, intermediate and high apatite volume fraction. For each degree of volume fraction, in the thickness direction, the tortuosity assumes greater values, up to two orders of magnitude, in comparison with the tortuous factors computed in the other directions, highlighting the anisotropy of the nanostructure. Furthermore, it was found that the tortuosity is the dominant parameter which control the effective transport properties within the mineralized collagen fibrils.
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spelling pubmed-63899162019-02-28 A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril Bini, Fabiano Pica, Andrada Marinozzi, Andrea Marinozzi, Franco Sci Rep Article Bone tissue is a hierarchically structured material composed at the nanoscale by an organic matrix of collagen type I, apatite mineral and water. We considered an idealized 3D geometrical model of the mineralized collagen fibril in order to analyze the influence of structural factors, i.e. tortuosity, constrictivity, on the water effective diffusivity. The average values of the factors investigated in the diffusivity are computed on 5000 iterations by means of the Montecarlo method. The input parameters of the numerical model are the geometrical dimensions of the apatite mineral, collagen fibrils and their spatial orientation obtained with random extractions from Gaussian probability distribution functions. We analyzed the diffusion phenomenon for concentration gradients parallel to three orthogonal directions (Length, Width and Thickness) and for different scenarios, namely low, intermediate and high apatite volume fraction. For each degree of volume fraction, in the thickness direction, the tortuosity assumes greater values, up to two orders of magnitude, in comparison with the tortuous factors computed in the other directions, highlighting the anisotropy of the nanostructure. Furthermore, it was found that the tortuosity is the dominant parameter which control the effective transport properties within the mineralized collagen fibrils. Nature Publishing Group UK 2019-02-25 /pmc/articles/PMC6389916/ /pubmed/30804401 http://dx.doi.org/10.1038/s41598-019-39297-w Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Bini, Fabiano
Pica, Andrada
Marinozzi, Andrea
Marinozzi, Franco
A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril
title A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril
title_full A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril
title_fullStr A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril
title_full_unstemmed A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril
title_short A 3D Model of the Effect of Tortuosity and Constrictivity on the Diffusion in Mineralized Collagen Fibril
title_sort 3d model of the effect of tortuosity and constrictivity on the diffusion in mineralized collagen fibril
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6389916/
https://www.ncbi.nlm.nih.gov/pubmed/30804401
http://dx.doi.org/10.1038/s41598-019-39297-w
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