In this manuscript, density functional theory was used to explore structural, vibrational and optical properties of the (Sc2O3)n (n=1-5) cluster systems using DFT/B3LYP/LanL2DZ level of computation. Different stable isomers were obtained and numerous chemical parameters such as HOMO-LUMO gap, ionization potential and electron affinity were calculated successfully. Stability of the clusters was ...

Water-soluble, highly stable fluorescent Ag nanoclusters have been synthesized using a novel core/shell solid polymer (PMMA/PMMA-PMAA) nanoparticles as a novel template. The photoluminescence, ultraviolet-visible absorption, X-ray photoelectron (XPS), laser desorption time of flight mass spectroscopies (LDI-ToF-MS) and transmission electron microscopy (TEM) were carried out to characterize the ...

treatment of acetyl- 1,4-benzoquinone with isoprene gave the corresponding regioselective adduct (i). rearrangement of the adduct (1) in pyridine and methanol gave 2-acetyl-5, 8-dihydro-6-methyl- 1,4-dihydroxynaphthalene (2). silver oxide oxidation of the rearranged product (2) gave 2-acetyl-5,8-dihydro- 6-methyl- 1,4naphthalenedione (3). regioselective addition of trans-piperylene to this comp...

Gold nanoparticles have shown great prospective in cancer diagnosis and therapy, but they can not be metabolized and prefer to accumulate in liver and spleen due to their large size. The gold nanoclusters with small size can penetrate kidney tissue and have promise to decrease in vivo toxicity by renal clearance. In this work, we explore the in vivo renal clearance, biodistribution, and toxicit...

Clinical manifestations appearing in labourers working with manganese in various industrial fields were discovered about 125 years ago. Couper in 1837 was the first to report the appearance of a peculiar neurological picture similar to Parkinson's shaking palsy in five men grinding manganese dioxide in France. Forty-two years later, Schlockow (1879) reported another 42 cases. In addition von Ja...

Ag nanoclusters consist of several to roughly a hundred atoms and possess sizes comparable to the Fermi wavelength of electrons; they exhibit molecule-like properties, including discrete electronic transitions and strong fluorescence. These nanoclusters are of significant interest because they provide the bridge between atomic and nanoparticle behavior in noble metals. Since the first observati...

The use of hydrous ethanol DI fuel for knock avoidance in conjunction with PFI gasoline is investigated. The properties of the hydrous ethanol are described and constraints on the ethanol-water-hydrocarbon mixtures quantified. After a selection of the appropriate water-ethanol blends, calculations are performed using an engine simulation coupled to a kinetic calculation to determine the require...

Supported manganese oxide catalysts were prepared by the impregnation of alumina foam blocks washcoated with alumina and silica. The manganese content based on the weight of the washcoats was 10 wt % calculated as MnO2. Fourier transform profiles of the Mn K-edge EXAFS spectra for these samples gave three distinctive peaks at 0.15, 0.25, and 0.32 nm and were close to the profiles of Mn3O4 and b...