Biofilm Inhibitory Coatings Formulated from Glass Polyalkenoate Cement Chemistry: An Evaluation of their Adhesive Nature

Researchers evaluated the adhesive nature of the biofilm inhibitory coatings formulated from glass polyalkenoate cement (GPC) chemistry with the aim to establish the novel testing modality by modifying the conventional T-peel tests. Special consideration was given to determine the resistance of a bonded assembly of two adherents having at least one adherent flexible to quantify the bond between tape and a surgical metal substrate bonded by a luting GPC. The delaminated tape surface was examined by scanning electron microscopy (SEM) with an accelerating voltage of 20 K V to determine whether failure of the bond was adhesive of cohesive in nature. Researchers have also evaluated the cements against Ti6A14V, as they are designed as surgical coatings. The load testing evaluation in excess of 5500 Pa, showed the failure of the novel GPC adhered to rigid and flexible substrates

Quantum Monte Carlo study of the Ne atom and the Ne+ ion

We report all-electron and pseudopotential calculations of the ground-stateenergies of the neutral Ne atom and the Ne+ ion using the variational and diffusion quantum Monte Carlo (DMC) methods. We investigate different levels of Slater-Jastrow trial wave function: (i) using Hartree-Fock orbitals, (ii) using orbitals optimized within a Monte Carlo procedure in the presence of a Jastrow factor, and (iii) including backflow correlations in the wave function. Small reductions in the total energy are obtained by optimizing the orbitals, while more significant reductions are obtained by incorporating backflow correlations. We study the finite-time-step and fixed-node biases in the DMC energy and show that there is a strong tendency for these errors to cancel when the first ionization potential (IP) is calculated. DMC gives highly accurate values for the IP of Ne at all the levels of trial wave function that we have considered

Jastrow correlation factor for atoms, molecules, and solids

A form of Jastrow factor is introduced for use in quantum Monte Carlo simulations of finite and periodic systems. Test data are presented for atoms, molecules, and solids, including both all-electron and pseudopotential atoms. We demonstrate that our Jastrow factor is able to retrieve a large fraction of the correlation energy

The Effect of Ionic Dissolution Products of Ca-Sr-Na-Zn-Si Bioactive Glass on in Vitro Cytocompatibility

Many commercial bone grafts cannot regenerate healthy bone in place of diseased bone. Bioactive glasses have received much attention in this regard due to the ability of their ionic dissolution products to promote cell proliferation, cell differentiation and activate gene expression. Through the incorporation of certain ions, bioactive glasses can become therapeutic for specific pathological situations. Calcium-strontium-sodium-zinc-silicate glass bone grafts have been shown to release therapeutic levels of zinc and strontium, however the in vitro compatibility of these materials is yet to be reported. In this study, the in vitro cytocompatibility of three different calcium-strontium-sodium-zinc-silicate glasses was examined as a function of their ion release profiles, using Novabone® bioglass as a commercial comparison. Experimental compositions were shown to release Si4+ ranging from 1 to 81 ppm over 30 days; comparable or enhanced release in comparison to Novabone. The maximum Ca2+ release detected for experimental compositions was 9.1 ppm, below that reported to stimulate osteoblasts. Sr2+ release was within known therapeutic ranges, and Zn2+ release ranged from 0.5 to 1.4 ppm, below reported cytotoxic levels. All examined glass compositions show equivalent or enhanced in vitro compatibility in comparison to Novabone. Cells exposed to BT112 ionic products showed enhanced cell viabilities indicating cell proliferation was induced. The ion release profiles suggest this effect was due to a synergistic interaction between certain combinations and concentrations of ions. Overall, results indicate that the calcium-strontium-sodium-zinc-silicate glass compositions show equivalent or even enhanced in vitro compatibility compared to Novabone®. © 2010 Springer Science+Business Media, LLC

The Crystallisation of Glasses from the Ternary CaF2-CaAl2Si2O8-P2 O5 System

A study of glasses from the ternary system CaF2-CaAl2Si2O8-P2O5 has been carried out. It has been shown that glasses with low phosphorus contents and high fluorite contents crystallise to fluorite. Fluorine reduces the glass transition temperature and is also required for the formation of fluorapatite (FAP). In the absence of fluorine in the glass no apatite phase is formed. Bulk nucleation of FAP is favoured for glasses with Ca:P ratios close to the apatite stoichiometry of 1.67 and with low crosslink densities. Thermal gravimetric analysis showed significant weight losses attributable to the formation of volatile silicon tetrafluoride to occur on crystallisation of the aluminium containing phases, anorthite and mullite, which supports the view that silicon tetrafluoride formation is hindered by fluorine bonding to the aluminium atoms of the glass network. Anorthite crystallisation always occurred by a surface nucleation mechanism and ap peared to be favoured by the higher silicon to aluminium ratio in these glasses compared to previously studied glass compositions. © 2001 Kluwer Academic Publishers

All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe

We report all-electron variational and diffusion quantum Monte Carlo (VMC and DMC) calculations for the noble gas atoms He, Ne, Ar, Kr, and Xe. The calculations were performed using Slater-Jastrow wave functions with Hartree-Fock single-particle orbitals. The quality of both the optimized Jastrow factors and the nodal surfaces of the wave functions declines with increasing atomic number Z, but the DMC calculations are tractable and well behaved in all cases. We discuss the scaling of the computational cost of DMC calculations with Z