this study concerns about quantum chemical modeling behavior of 02 on cr (100)surface by using density functional theory (dft) by lanl2dz and 6 — 31g* basissets, we presented the results of our first principles electronic structure calculationson the 02 molecules and their interface with cr (100) surface. the chromium metalhas the body-centered cubic structure, and chromium cluster has five cr ...

conclusions vancomycin nephrotoxicity is common but usually reversible and has readily manageable adverse effect. urine kim-1 was not more accurate than serum or urine creatinine in detecting vancomycin nephrotoxicity in our study population. results thirteen out of the 52 recruited patients (25%) developed nephrotoxicity, with a mean ± standard deviation onset of 11.46 ± 7.56 days. furosemide ...

an attempt is made to show in a straightforward way how a body-fixed frame may be constructed in classical and hence in quantum mechanics for a polyatomic molecule with the aid of which the vibration-rotation behavior of the molecule may be described.

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auto-reactive cells-mediated immune responses are responsible for the current tissue damages during autoimmunity. accordingly, functional modulation of auto-reactive cells has been a pivotal aim in many of recent studies. in the current study, we investigated the possibility for insertion of regulatory molecules onto auto-reactive cells through exosomal nano-shuttles as a novel approach for phe...

in the present paper, resonant frequencies and modes of a three-atom photonic molecule and a photonic crystal placed within a cavity are numerically calculated. first, governing formulation in transverse electric field mode (te) is obtained using maxwell equations. then, an algorithm based on a finite difference scheme and matrix algebra is presented. the algorithm is then implemented in a comp...

the compressibility factor of nonassociated chain molecules composed of hard convex core yukawa segments was derived with saft-vr and an extension of the barker-henderson perturbation theory for convex bodies. the temperature-dependent chain and dispersion compressibility factors were derived using the yukawa potential. the effects of temperature, packing fraction, and segment number on the com...

background:the polysialylated neural cell adhesion molecule (psa-ncam) is expressed in developing brain. fetal brain damage is caused by different conditions such as seizure and hypoxia. the present study was designed to investigate the effect of maternal seizures on the number of psa-ncam positive cells in pup's hippocampus. methods: female wistar rats were divided into four groups: (a) k...