A simulation study on the significant nanomechanical heterogeneous properties of collagen

Zhong Zhou; Majid Minary-Jolandan; Dong Qian

doi:10.1007/s10237-014-0615-3

A simulation study on the significant nanomechanical heterogeneous properties of collagen

Zhong Zhou, Majid Minary-Jolandan, Dong Qian

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

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.

Original language	English (US)
Pages (from-to)	445-457
Number of pages	13
Journal	Biomechanics and Modeling in Mechanobiology
Volume	14
Issue number	3
DOIs	https://doi.org/10.1007/s10237-014-0615-3
State	Published - Jun 15 2015
Externally published	Yes

Keywords

Collagen fibrils
Collagen molecules
Elastic limit
Mechanical heterogeneity
Steered molecular dynamics
Young’s modulus

ASJC Scopus subject areas

Biotechnology
Modeling and Simulation
Mechanical Engineering

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10.1007/s10237-014-0615-3

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title = "A simulation study on the significant nanomechanical heterogeneous properties of collagen",

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.",

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author = "Zhong Zhou and Majid Minary-Jolandan and Dong Qian",

note = "Funding Information: DQ, ZZ and MMJ gratefully acknowledge the support of this work from the start-up fund provided by the University of Texas at Dallas and allocation of the computing resources at the Texas Advance Computing Center (TACC). The work of MMJ was partially supported by the Air Force Office of Scientific Research (Young Investigator Program, FA9550-14-1-0252, Program Manager Dr. B. L. Lee). Publisher Copyright: {\textcopyright} 2014, Springer-Verlag Berlin Heidelberg.",

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doi = "10.1007/s10237-014-0615-3",

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AU - Zhou, Zhong

AU - Minary-Jolandan, Majid

AU - Qian, Dong

N1 - Funding Information: DQ, ZZ and MMJ gratefully acknowledge the support of this work from the start-up fund provided by the University of Texas at Dallas and allocation of the computing resources at the Texas Advance Computing Center (TACC). The work of MMJ was partially supported by the Air Force Office of Scientific Research (Young Investigator Program, FA9550-14-1-0252, Program Manager Dr. B. L. Lee). Publisher Copyright: © 2014, Springer-Verlag Berlin Heidelberg.

PY - 2015/6/15

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N2 - 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.

AB - 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.

KW - Collagen fibrils

KW - Collagen molecules

KW - Elastic limit

KW - Mechanical heterogeneity

KW - Steered molecular dynamics

KW - Young’s modulus

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A simulation study on the significant nanomechanical heterogeneous properties of collagen

Abstract

Keywords

ASJC Scopus subject areas

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