Collagen intrafibrillar mineralization as a result of the balance between osmotic equilibrium and electroneutrality.

Mineralization of fibrillar collagen with biomimetic process-directing agents has enabled scientists to gain insight into the potential mechanisms involved in intrafibrillar mineralization. Here, by using polycation- and polyanion-directed intrafibrillar mineralization, we challenge the popular paradigm that electrostatic attraction is solely responsible for polyelectrolyte-directed intrafibrillar mineralization. As there is no difference when a polycationic or a polyanionic electrolyte is used to direct collagen mineralization, we argue that additional types of long-range non-electrostatic interaction are responsible for intrafibrillar mineralization.

Investigation of ethanol infiltration into demineralized dentin collagen fibrils using molecular dynamics simulations.

The purpose of this study is to investigate the interaction of neat ethanol with bound and non-bound water in completely demineralized dentin that is fully hydrated, using molecular dynamics (MD) simulation method. The key to creating ideal resin-dentin bonds is the removal of residual free water layers and its replacement by ethanol solvent in which resin monomers are soluble, using the ethanol wet-bonding technique. The test null hypotheses were that ethanol cannot remove any collagen-bound water, and that ethanol cannot infiltrate into the spacing between collagen triple helix due to narrow interlayer spacing.

Carbon dioxide and methane transport in DDR zeolite: insights from molecular simulations into carbon dioxide separations in small pore zeolites.

The silica zeolite DDR is a strong candidate for separations of CO(2)/CH(4) because of the narrow windows that control molecular transport inside the material's pores. We have used molecular simulations to describe diffusion of CO(2) and CH(4) inside DDR pores. Our simulations introduce a new force-field for this system that for the first time gives results that are consistent with experimental measurements of single-component adsorption and diffusion.

Fabrication of flexible carbon nanotube field emitter arrays by direct microwave irradiation on organic polymer substrate.

Carbon nanotubes (CNTs) were directly synthesized on flexible polymer substrates without damage of polymer by microwave irradiation. Cobalt was used as the catalysts, and the synthesis was done in the atmospheric pressure with an acetylene carbon source. Only 5 s was required for the synthesis of well-graphitized CNTs.