Journal ArticleDOI
Mineral proximity influences mechanical response of proteins in biological mineral-protein hybrid systems.
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TLDR
The results indicate that the proximity of aragonite has a significant effect on the unfolding mechanisms of proteins when pulled, which will provide very useful information in designing synthetic biocomposites, as well as further the understanding of mechanical response in structural composites in nature.About:
This article is published in Biomacromolecules.The article was published on 2007-02-22. It has received 81 citations till now.read more
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Deformation and Fracture Mechanisms of Bone and Nacre
Rizhi Wang,Himadri S. Gupta +1 more
TL;DR: In this article, a comparative analysis of the structure-property relations in bone and nacre helps to unveil the underlying mechanisms of this puzzling phenomenon, and the authors critically compare the various levels of structures and their mechanical contributions.
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The toughening mechanism of nacre and structural materials inspired by nacre.
Hideki Kakisawa,Taro Sumitomo +1 more
TL;DR: This review focuses on the hierarchical architecture, macroscopic and microscopic deformation and fracture behavior, as well as toughening mechanisms in nacre and summarizes recent progress in the fabrication of materials inspired by nacre taking into consideration its mechanical properties.
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Toughening mechanisms in bioinspired multilayered materials
Sina Askarinejad,Nima Rahbar +1 more
TL;DR: It is shown that the roughness induced interactions between the organic matrix and aragonite platelet, represented in the model by asperity elements, play a key role in strength and toughness of abalone nacre.
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Mechanics of molecular collagen is influenced by hydroxyapatite in natural bone
TL;DR: The authors' simulations indicate that the load-deformation response of collagen is different when it interacts with HAP as compared to its response in the absence of HAP, and water significantly influences the load of collagen due to collagen-water-HAP interactions.
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Dynamic fluid states in organic-inorganic nanocomposite: Implications for shale gas recovery and CO2 sequestration
TL;DR: In this paper, a shale clay-kerogen nanocomposite with heterogeneous pore structure was built to investigate the dynamic characteristics of fluid states during pressure depletion and CO2 sequestration using molecular simulations for the first time.
References
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VMD: Visual molecular dynamics
TL;DR: VMD is a molecular graphics program designed for the display and analysis of molecular assemblies, in particular biopolymers such as proteins and nucleic acids, which can simultaneously display any number of structures using a wide variety of rendering styles and coloring methods.
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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Bernard R. Brooks,Robert E. Bruccoleri,Barry D. Olafson,David J. States,S. Swaminathan,Martin Karplus +5 more
TL;DR: The CHARMM (Chemistry at Harvard Macromolecular Mechanics) as discussed by the authors is a computer program that uses empirical energy functions to model macromolescular systems, and it can read or model build structures, energy minimize them by first- or second-derivative techniques, perform a normal mode or molecular dynamics simulation, and analyze the structural, equilibrium, and dynamic properties determined in these calculations.
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Scalable molecular dynamics with NAMD
James C. Phillips,Rosemary Braun,Wei Wang,James C. Gumbart,Emad Tajkhorshid,Elizabeth Villa,Christophe Chipot,Robert D. Skeel,Laxmikant V. Kale,Klaus Schulten +9 more
TL;DR: NAMD as discussed by the authors is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems that scales to hundreds of processors on high-end parallel platforms, as well as tens of processors in low-cost commodity clusters, and also runs on individual desktop and laptop computers.
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Control of Aragonite or Calcite Polymorphism by Mollusk Shell Macromolecules
TL;DR: In this article, it was shown that macromolecules extracted from the aragonitic shell layers of some mollusks induced aragonite formation in vitro when preadsorbed on a substrate of β-chitin and silk fibroin.
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Molecular mechanistic origin of the toughness of natural adhesives, fibres and composites
Bettye L. Smith,Tilman E. Schäffer,Mario B. Viani,James B. Thompson,Neil A. Frederick,Johannes H. Kindt,Angela M. Belcher,Galen D. Stucky,Daniel E. Morse,Paul K. Hansma +9 more
TL;DR: In this article, the authors used the atomic force microscope to stretch the organic molecules exposed on the surface of freshly cleaved nacre and found that the elongation events occur for forces of a few hundred piconewtons, which are smaller than the forces of over a nanonewton required to break the polymer backbone in the threads.