Chronic cerebral ischaemia (CCI) is a potentially life-threatening condition caused by carotid artery occlusion, hypotension and other causes. Moyamoya Syndrome (MMS) an example of CCI, in which there progressive narrowing the branches internal artery. Conventionally, magnetic resonance angiography (MRA) or digital subtraction angiogram (DSA) are utilised to visualise vascular abnormalities. Ho...

The influences of lanosterol on lipid bilayers have been compared to those of cholesterol by combining deuterium (2H) NMR spin relaxation studies with segmental order parameter measurements. For bilayers of 1,2-diperdeuteriomyristoyl-sn-glycero-3-phosphocholine (DMPC-d54), the results are consistent with a square-law dependence of the 2H Zeeman relaxation rates (R1Z) on the corresponding order ...

We present a theoretical, site-specific, approach to predict protein subunit correlation times, as measured by NMR experiments of (1)H-(15)N nuclear Overhauser effect, spin-lattice relaxation, and spin-spin relaxation. Molecular dynamics simulations are input to our equation of motion for protein dynamics, which is solved analytically to produce the eigenvalues and the eigenvectors that specify...

Nuclear magnetic resonance (NMR) spectroscopy, combining correlated spectroscopy (COSY) coupling constant measurements with nuclear Overhauser effect spectroscopy (NOESY) interatomic distances, should make it possible to determine an averaged solution structure for DNA oligomers. However, even if such data could be obtained with high accuracy, it is not clear which structural parameters of DNA ...

Dimethyl (z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butenedioate has been synthesized using one-pot three component reaction between N-isocyaniminotriphenylphosphorane (Ph3PNNC), 3-methylcyclopentene-1,2-dione and dimethyl acetylenedicarboxylate. Also, optimized geometry and nuclear magnetic resonance ( NMR ) of the title compound are evaluated using HF and B3LYP methods and 6-311+G(d) basis s...

The aluminophosphate (AlPO) JDF-2 is prepared hydrothermally with methylammonium hydroxide (MAH+·HO-, MAH+ = CH3NH3+), giving rise to a microporous AEN-type framework with occluded MAH+ cations and extra-framework (Al-bound) HO- anions. Despite the presence of these species within its pores, JDF-2 can hydrate upon exposure to atmospheric moisture to give AlPO-53(A), an isostructural material wh...

α-amylase has been studied extensively from various sides. this enzyme is used in many industries .many applications of this enzyme have encouraged us for greater attempts on the study of α-amylase and to search for more effective processes. in this investigation, the structure of nanotube - catalytic site of bacillus subtilis α- amylase was optimized by hyperchem 7.0 and then it was investigat...

In this study the chemical properties of B6C4Si and C16 Clusters connected vitamin C have been investigated using density functional theory (DFT). NMR parameters and HOMO- LUMO Gap energy are calculated by using density functional method (B3LYP) with 6-311G* basis set. Calculations show that HOMO- LUMO Gap energy of vitamin C decreases after connecting to B6C4Si or C16 cluster decreasing of HOM...