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关于胶原蛋白显著的纳米力学异质性的模拟研究。

A simulation study on the significant nanomechanical heterogeneous properties of collagen.

作者信息

Zhou Zhong, Minary-Jolandan Majid, Qian Dong

机构信息

Department of Mechanical Engineering, The University of Texas at Dallas, Richardson, TX, 75080, USA.

出版信息

Biomech Model Mechanobiol. 2015 Jun;14(3):445-57. doi: 10.1007/s10237-014-0615-3. Epub 2014 Sep 14.

DOI:10.1007/s10237-014-0615-3
PMID:25218640
Abstract

Nanomechanics of individual collagen fibrils govern the mechanical behavior of the majority of connective tissues, yet the current models lack significant details. Majority of the current models assume a rod-shape molecule with homogenous mechanical properties. Recent X-ray crystallography revealed significantly different microstructures in the D-period of collagen microfibrils, markedly different from the conventionally assumed rod-shaped molecule. Motivated by this recent microstructure, the nanomechanics of hydrated collagen molecules are investigated through molecular dynamics simulations. The results reveal significant mechanical heterogeneity in individual collagen molecules, which is expected to significantly impact the biomechanics of collagen fibrils in healthy and diseased tissues.

摘要

单个胶原纤维的纳米力学决定了大多数结缔组织的力学行为,但目前的模型缺乏重要细节。当前的大多数模型假定分子呈棒状且具有均匀的力学性能。最近的X射线晶体学研究表明,胶原微纤维的D周期中存在显著不同的微观结构,与传统假定的棒状分子明显不同。受此最新微观结构的启发,通过分子动力学模拟研究了水合胶原分子的纳米力学。结果揭示了单个胶原分子中存在显著的力学非均质性,这有望对健康和患病组织中胶原纤维的生物力学产生重大影响。

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