An ab initio study has been performed for the electronic, spectroscopic, and chemical properties of the most stable configuration of the (CdO)n nanoclusters by employing B3LYP-DFT/LanL2DZ method. Different isomers were optimized to obtain structural stability and numerous chemical parameters such as dipole moment, ionization potential, etc. We report here the vibrational frequencies of the most...

BACKGROUND AND PURPOSE Vascular endothelial growth factor (VEGF) can induce matrix metalloproteinase (MMP)-9 activities and focal angiogenesis. We hypothesized that VEGF activation of cerebral MMP-9 would require nitric oxide participation. METHODS We compared the in vivo effects of: (1) N(G)-monomethyl-l-arginine, a nonspecific nitric oxide synthase inhibitor; (2) L-N(6)-(1-iminoethyl)lysine...

In the title compound, C(15)H(17)NOS·H(2)O, the benzene and pyridine rings form a dihedral angle of 71.18 (2)°. The intra-molecular S⋯O distance [2.737 (3) Å] is shorter than expected and, in terms of hybridization principles, the N-C-S angle [114.1 (2)°] is smaller than expected. The crystal structure is stabilized by inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds. In addition, weak π-π s...

In the title pyridine N-oxide derivative, C(6)H(4)N(2)O, the 4-cyano substituent almost lies in the mean plane of the pyridine ring (r.m.s deviation of all non-H atoms = 0.004 Å). This redetermination results in a crystal structure with significantly higher precision [N-O bond length is 1.2997 (15) compared with 1.303 (5) Å in the original] than the original determination, which was recorded us...

the study describes the synthesis and characterization of zinc(ii) minoxidil nanocomposite (1). the reaction between zinc(ii) acetate, minoxidil, {c9h15n5o=minoxidil=(2,4-diamino-6-piperidine-1-yl) pyrimidine n-oxide)} as a ligand and ki as bridging agent, in methanol at 60°c leads to the formation of nano-sized zn(ii) minoxidil nanocomposite, 1. characterization of (1) was carried out by eleme...