Viscoelastic properties of model segments of collagen molecules

Gautieri, Alfonso; Vesentini, Simone; Redaelli, Alberto; Buehler, Markus J.

doi:10.1016/j.matbio.2011.11.005

Cited by 146 publications

(124 citation statements)

References 56 publications

(65 reference statements)

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“…Viscoelastic properties of collagen molecules were evaluated from the level of amino acids using steered molecular dynamics simulations using in silico creep tests [119,120]. A Kelvin-Voigt model was fitted the to the experimental stress-strain response of singe collagen molecules [120].…”

Section: Mathematical Modelling On the Molecular Scalementioning

confidence: 99%

“…In this molecular context, the physical interpretation of the Kelvin-Voigt model was that the elastic spring represented the dihedral angle and the bond deformation of the protein backbone, whereas the viscous dashpot described the breaking and reforming of hydrogen bonds between collagen chains [120,121]. Using such an approach, the values of both viscous parameters and the elastic modulus of the collagen molecules were found to be significantly greater than corresponding parameters on the fibril length scale [119,120,122]. To evaluate these molecular mechanisms further, the influence of representative divalent and trivalent cross-links in tropocollagen molecules on the mechanics of collagen fibrils was examined through a three-dimensional coarse-grained model [123][124][125].…”

Section: Mathematical Modelling On the Molecular Scalementioning

confidence: 99%

See 1 more Smart Citation

Modelling approaches for evaluating multiscale tendon mechanics

Fang

Lake

2016

Interface Focus.

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Tendon exhibits anisotropic, inhomogeneous and viscoelastic mechanical properties that are determined by its complicated hierarchical structure and varying amounts/organization of different tissue constituents. Although extensive research has been conducted to use modelling approaches to interpret tendon structure–function relationships in combination with experimental data, many issues remain unclear (i.e. the role of minor components such as decorin, aggrecan and elastin), and the integration of mechanical analysis across different length scales has not been well applied to explore stress or strain transfer from macro- to microscale. This review outlines mathematical and computational models that have been used to understand tendon mechanics at different scales of the hierarchical organization. Model representations at the molecular, fibril and tissue levels are discussed, including formulations that follow phenomenological and microstructural approaches (which include evaluations of crimp, helical structure and the interaction between collagen fibrils and proteoglycans). Multiscale modelling approaches incorporating tendon features are suggested to be an advantageous methodology to understand further the physiological mechanical response of tendon and corresponding adaptation of properties owing to unique in vivo loading environments.

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Section: Mathematical Modelling On the Molecular Scalementioning

confidence: 99%

Section: Mathematical Modelling On the Molecular Scalementioning

confidence: 99%

Modelling approaches for evaluating multiscale tendon mechanics

Fang

Lake

2016

Interface Focus.

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“…16,17 An important distinction here is that plasticity, which is the source of bone's ductility, is generated primarily at the fibrillar level rather than solely at the collagen molecule level. 20,21 The damaged caused by mechanical loading increases fracture resistance but may also trigger bone repair, where micron-scale damage (that is, linear microcracks) severing cellular connections is repaired through normal bone remodeling, and nanoscale damage (that is, diffuse damage) is repaired through a separate, as yet unknown, process. [22][23][24] Further studies are required to better understand how each aspect of the complex nanostructure contributes to bone deformation, repair and overall fracture risk in health and disease.…”

Section: Introductionmentioning

confidence: 99%

The fracture mechanics of human bone: influence of disease and treatment

2015

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Aging and bone diseases are associated with increased fracture risk. It is therefore pertinent to seek an understanding of the origins of such disease-related deterioration in bone's mechanical properties. The mechanical integrity of bone derives from its hierarchical structure, which in healthy tissue is able to resist complex physiological loading patterns and tolerate damage. Indeed, the mechanisms through which bone derives its mechanical properties make fracture mechanics an ideal framework to study bone's mechanical resistance, where crack-growth resistance curves give a measure of the intrinsic resistance to the initiation of cracks and the extrinsic resistance to the growth of cracks. Recent research on healthy cortical bone has demonstrated how this hierarchical structure can develop intrinsic toughness at the collagen fibril scale mainly through sliding and sacrificial bonding mechanisms that promote plasticity. Furthermore, the bone-matrix structure develops extrinsic toughness at much larger micrometer length-scales, where the structural features are large enough to resist crack growth through crack-tip shielding mechanisms. Although healthy bone tissue can generally resist physiological loading environments, certain conditions such as aging and disease can significantly increase fracture risk. In simple terms, the reduced mechanical integrity originates from alterations to the hierarchical structure. Here, we review how human cortical bone resists fracture in healthy bone and how changes to the bone structure due to aging, osteoporosis, vitamin D deficiency and Paget's disease can affect the mechanical integrity of bone tissue.

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“…A simple model combining Kelvin Voigt and Maxwell model is used to represent the viscous interfaces and calcite layers. These models has been used by several researchers to model viscous behavior of bones and tissues [68][69][70][71]. It has been reported [72,73] that the viscous adhesive behavior of bio interfaces is dominated by sacrificial bonds between Ca 2+ ions and organic fibers.…”

Section: Analytical Characterization Of Viscous Interfacesmentioning

confidence: 99%

Influence of interfacial interactions on deformation mechanism and interface viscosity in α-chitin–calcite interfaces

Verma

Alucozai

et al. 2015

Acta Biomaterialia

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The interfaces between organic and inorganic phases in natural materials have a significant effect on their mechanical properties. This work presents a quantification of the interface stress as a function of interface chemical changes (water, organic molecules) in chitin-calcite (CHI-CAL) interfaces using classical non-equilibrium molecular dynamics (NEMD) simulations and steered molecular dynamics (SMD) simulations. NEMD is used to investigate interface stress as a function of applied strain based on the virial stress formulation. SMD is used to understand interface separation mechanism and to calculate interfacial shear stress based on a viscoplastic interfacial sliding model. Analyses indicate that interfacial shear stress combined with shear viscosity can result in variations to the mechanical properties of the examined interfacial material systems. It is further verified with Kelvin-Voigt and Maxwell viscoelastic analytical models representing viscous interfaces and outer matrix. Further analyses show that overall mechanical deformation depends on maximization of interface shear strength in such materials. This work establishes lower and upper bounds of interface strength in the interfaces examined.

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Viscoelastic properties of model segments of collagen molecules

Cited by 146 publications

References 56 publications

Modelling approaches for evaluating multiscale tendon mechanics

Modelling approaches for evaluating multiscale tendon mechanics

The fracture mechanics of human bone: influence of disease and treatment

Influence of interfacial interactions on deformation mechanism and interface viscosity in α-chitin–calcite interfaces

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