Document Detail


Molecular dynamics simulation of mechanical behavior of osteopontin-hydroxyapatite interfaces.
MedLine Citation:
PMID:  24786380     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
Bone is characterized with an optimized combination of high stiffness and toughness. The understanding of bone nanomechanics is critical to the development of new artificial biological materials with unique properties. In this work, the mechanical characteristics of the interfaces between osteopontin (OPN, a noncollagenous protein in extrafibrillar protein matrix) and hydroxyapatite (HA, a mineral nanoplatelet in mineralized collagen fibrils) were investigated using molecular dynamics method. We found that the interfacial mechanical behavior is governed by the electrostatic attraction between acidic amino acid residues in OPN and calcium in HA. Higher energy dissipation is associated with the OPN peptides with a higher number of acidic amino acid residues. When loading in the interface direction, new bonds between some acidic residues and HA surface are formed, resulting in a stick-slip type motion of OPN peptide on the HA surface and high interfacial energy dissipation. The formation of new bonds during loading is considered to be a key mechanism responsible for high fracture resistance observed in bone and other biological materials.
Authors:
Zheng Bo Lai; Mingchao Wang; Cheng Yan; Adekunle Oloyede
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2014-4-13
Journal Detail:
Title:  Journal of the mechanical behavior of biomedical materials     Volume:  36C     ISSN:  1878-0180     ISO Abbreviation:  J Mech Behav Biomed Mater     Publication Date:  2014 Apr 
Date Detail:
Created Date:  2014-5-2     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101322406     Medline TA:  J Mech Behav Biomed Mater     Country:  -    
Other Details:
Languages:  ENG     Pagination:  12-20     Citation Subset:  -    
Copyright Information:
Copyright © 2014 Elsevier Ltd. All rights reserved.
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