Widely used higher-dimensional Fourier transform (FT) NMR spectroscopy suffers from two major drawbacks: (i) The minimal measurement time of an N-dimensional FT NMR experiment, which is constrained by the need to sample N - 1 indirect dimensions, may exceed by far the measurement time required to achieve sufficient signal-to-noise ratios. (ii) The low resolution in the indirect dimensions sever...

Allostery is a fundamental mechanism of regulation in biology. The residues at the end points of long-range allosteric perturbations are commonly identified by the comparative analyses of structures and dynamics in apo and effector-bound states. However, the networks of interactions mediating the propagation of allosteric signals between the end points often remain elusive. Here we show that th...

The molecular structure of Cyclophosphamide (N, N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide is the anti cancer drug and used to treat cancer and immune diseases) and SWCNTswere calculated by the B3LYP density functional model with 6-311G* basis set with Gaussian 09program. The nanotube used in this study, includes 120 C atoms (5, 5) type. The NBO analysisshowed there is a hyperco...

Quaternary ammonium compounds (QACS) are employed both as disinfectants for manual processing lines and surfaces in the food industry, and in human medicine area. QACS also cause cell death by protein denaturation . One of the QAC is cetyl trimethyl ammonium bromide (CTAB) that appears to rapture the cell membrane. The primary site of action of CTAB has been suggested to be the lipid components...

The nucleus-independent chemical shifts (NICS) and electron density profiles along the inner and outer regions defined by the two stacked aromatic rings of [2.2]paracyclophane have been analyzed and compared to those of free benzene and p-xylene and benzene dimers taken as reference models. It is found that stacked aromatic rings show a reduction of the NICS indicator of aromaticity as compared...

Background: Mediodorsal (MD) thalamic nucleus, which is considered to take place between extra pyramidal and limbic feedback circuit, receives projective fibers from ventrolateral neurons of reticular part of substantia nigra (SNr). In order to better understand the influence and chemical reaction of these fibers upon MD nucleus, the morphology and synaptology of them were examined in the prese...

The use of molten salts as novel green solvents which may replace conventional media in chemical processes implies a good knowledge of their micro­ scopic structure [1]. As known, high temperature NMR spectroscopy has been applied successfully to molten salts. This technique permits to obtain information about the structure and dynamics of the local environment of most of the nuclei in salt mel...