the interaction of dppa which is an important component in cellular membrane with molecules of water asmedia, cause some changes in geometry of dppa .in this study we focused our attention on comparing thismolecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. thetheoretical nmr shielding tensor of some imported atoms were also reported.

A sharp elevation in the generation of electromagnetic interference (EMI) is observed, directly proportional to increase digital and electronic appliances. With high growing population enhancement number electrical devices used personal, industrial medical sites, issues arising due EMI are also at their peak. EM wave known cause malfunctioning nearby devices, destroying signals affecting human ...

G. Fehrenbacher, F. Gutermuth, T. Radon GSI Darmstadt, Germany An important aspect to be considered when designing the GSI future project will be the radiation protection of both the staff and the environment. One of the prerequisites for a permission for the operation of a high-energy accelerator is a careful planning of the necessary radiation shielding equipment. In order to give recommendat...

Shielding effects of a nanocage can be determined by the field felt by an encapsulated noble gas (NG) atom. Using the polarizability distributions about NG endohedral fullerenes (NGEFs), a new scheme based on the local polarizability of the NG is introduced to detect the shielding effects of fullerenes, using density functional theory calculations and Hirshfeld population analysis. For large ca...

The requirements for shielding a treatment vault with a Varian Clinac 2100 medical linear accelerator operated both with and without the flattening filter were assessed. Basic shielding parameters, such as primary beam tenth-value layers (TVLs), patient scatter fractions, and wall scatter fractions, were calculated using Monte Carlo simulations of 6, 10 and 18 MV beams. Relative integral target...

nowadays deep excavations are needed for construction of foundation of high rise buildings, providing space for parking and etc. in some cases deep excavations may be constructed in the vicinity of the subway tunnels and causes unpredicted extra displacements and internal forces in tunnel lining of tunnels which were not designed for them and consequently affect serviceability of tunnel. theref...

This study was directed on the Binto Z-DNA isomerization with alternating CG sequences monitored with artificial DNA model-systems based on methylation of the phosphate backbone. The chemical concept for this transition wherein shielding of the oxygen anions of the backbone phosphates plays an essential role, resulted in the preparation of the phosphatemethylated d(CpG). Even on this primitive ...

BACKGROUND AND PURPOSE Stress shielding from rigid internal fixation may lead to refracture after removal of the osteosynthesis material. We investigated the effect of a low-rigidity (Ti-24Nb-4Zr-7.9Sn) intramedullary nail regarding stress shielding and bone healing of osteoporotic fractures in the rat. METHODS 40 female Sprague-Dawley rats, aged 3 months, were divided into the following grou...

in this research, we studied the structure, properties and nmr parameters of interaction f2 gas with pristine and 3c-doped (8, 0) zigzag models of boron phosphide nanotubes (bpnts). in order to reach these aims, we considered four different configurations for adsorption of f2gas on the outer and inner surfaces of bpnts. the structures of all models were optimized by using density functional the...