the monitoring and controlling of environmental pollutions are very important in biological and industrial processes, and a great interest is growing with the development of suitable gas–sensitive materials and hazardous chemical removal devices. in this work, the highly parameterized, empirical exchange–correlation functional m06–2x were employed to investigate the electronic sensitivity of pe...

We performed a density functional theory investigation on the structural and electronic properties of pristine and nitrogen-doped TiO2/Graphene oxide nanocomposites as the adsorbents for the removal of toxic NO molecules in the environment. We presented the most stable adsorption configurations and examined the interaction of NO molecule with these doped and undoped nanocomposites. It turns out...

We performed a density functional theory investigation on the structural and electronic properties of pristine and nitrogen-doped TiO2/Graphene oxide nanocomposites as the adsorbents for the removal of toxic NO molecules in the environment. We presented the most stable adsorption configurations and examined the interaction of NO molecule with these doped and undoped nanocomposites. It turns out...

aim : the present study evaluated the association between g241r and k469e polymorphisms of intercellular adhesion molecule 1 gene and inflammatory bowel disease in iranian population.   background : inflammatory bowel disease including ulcerative colitis and crohn’s disease, is a chronic idiopathic inflammatory disease of the gastrointestinal tract. there are two single base polymorphisms of in...

background: multiple sclerosis (ms) and neuromyelitis optica (nmo) are inflammatory and demyelinating diseases of the central nervous system (cns). nk cells are supposed to play an important role in the pathophysiology of ms, but their role in the nmo remains unknown. the aim of this study was to compare the prevalence of different subpopulations of nk cells in the patients with ms and nmo and ...

within the past few years, neat scheme has been overturned by the discovery that rna can act as an enzyme. what does the starting finding of rna enzymes imply? thre first implication is that one can no longer assume a protein lies behind every catalytic activity of the cell. it now appears that several of the operations that tailor an ran molecule into its final form are at least in part cataly...

We present a crossed molecular beam scattering study, using velocity-map ion-imaging detection, of state-to-state rotational energy transfer for NO(A(2)Σ(+)) in collisions with the kinematically identical colliders He and D2. We report differential cross sections and angle-resolved rotational angular momentum polarization moments for transfer of NO(A, v = 0, N = 0, j = 0.5) to NO(A, v = 0, N' =...

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 ...