نتایج جستجو برای: C20B3N3 molecules
تعداد نتایج: 193063 فیلتر نتایج به سال:
The structural and electronic properties of C24-2nBn Nn and M@ C24-2nBn Nn (M= alkaline and earth alkaline metals; n=3 and 6) molecules are studied using the Density Functional Theory (DFT). It was found that the most interaction is in M@ C24-2nBn Nn complexes (M=Be, Mg; n=3 and 6). The negative nucleus-independent chemical shifts confirm that C24-2nBn Nn (n=3 and 6) cages exhibit aromatic char...
abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...
the adhesion molecules are involved in adhesion of leukocytes to endothelial cells and other immune cells. not only adhesion molecules have membrane form, but they also have soluble form. in this paper, we attempted to investigate the concen¬tration of soluble adhesion molecules in the type 1 diabetic patients (n = 40) and healthy subjects (n = 10). the results indicated that there was an incre...
in order to represent the potential energy function over the whole range of r, many potentialenergy functions have been proposed. in the present paper, we employ many potential energyfunctions, to use numerov method for solving the nuclear schrödinger equation for the ifmolecule, as an example of a heteronuclear diatomic molecules. then we determine thespectroscopic constants eω , e e x ω , e b...
molecular understanding of three-dimensional (3d) peptide: mhc models require both basic knowledge of computational modeling and skilled visual perception, which are not possessed by all students. the present model aims to simulate mhc molecular structure with the hands and make a profound impression on the students.
the rotation curves of a sample of 46 low- and high-surface brightness galaxies are considered in the context of milgrom's modi_ed dynamics (mond) to test a new interpolating function proposed by zhao et al. (2010) [1] and compare with the results of simple interpolating function. the predicted rotation curves are calculated from the total baryonic matter based on the b-band surface photometry,...
it is inferred from the symmetrical and luminous x-ray emission of fossil groups that they are mature, relaxed galaxy systems. cosmological simulations and observations focusing on their dark halo and inter-galactic medium properties confirm their early formation. recent photometric observations suggest that, unlike the majority of non-fossil brightest group galaxies (bggs), the central early-t...
platelet activation and adhesion to the site of vascular injury is a dynamic process comprising reversible and irreversible phases. platelet adhesion typically occurs in a multi-step process similar to the selectin/integrin-mediated adhesion of neutrophils. this phenomenon is highly regulated and influenced by the cross-talk between platelets and injured endothelium. this cross-talk involves a ...
as recent advancements in biology shows, the molecular machines specially proteins, rna and complex molecules play the main role of the so called cell functionality. it means a very big part of the system biology is concerned with the interactions of such molecular components. drug industries and research institutes are trying hard to better understand the concepts underlying these interactions...
background and objectives: entomopathogenic nematodes, belonging to the family heterorhabditis and steinernematidae, are reported to be symbiotically associated with specific bacteria and the secondary metabolites produced by these bacteria possess antimicrobial activity. in this study, bacteria were isolated from nematodes belonging to the family rhabditidae, and the antimicrobial activity was...
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