Mineral and Protein-Bound Water and Latching Action Control Mechanical Behavior at Protein-Mineral Interfaces in Biological Nanocomposites
作者： Pijush Ghosh , Dinesh R. Katti , Kalpana S. Katti
DOI: 10.1155/2008/582973
关键词: Crystallography 、 Molecule 、 Interaction energy 、 Chemical physics 、 Nanoscopic scale 、 Nanocomposite 、 Mineral 、 Molecular dynamics 、 Aragonite 、 Bound water 、 Chemistry
摘要: The nacre structure consists of laminated interlocked mineral platelets separated by nanoscale organic layers. Here, the role close proximity to proteins on mechanical behavior protein is investigated through steered molecular dynamics simulations. Our simulations indicate that energy required for unfolding in aragonite several times higher than isolated absence mineral. we present details specific mechanisms which result At early stage pulling, peaks load-displacement (LD) plot at are quantitatively correlated interaction between atoms involved latching phenomenon amino acid side chain surface. Water plays an important during and water molecules closer surface highly oriented remain rigidly attached as strand pulled. Also, high magnitude load a given displacement originates from attractive interactions protein, protein-bound water, This study provides insight into mineral-protein predominant biological nanocomposites also guidelines towards design biomimetic nanocomposites.
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