Alkali-induced effects on metal substrates and coadsorbed molecules

We present results of ab initio electronic structure calculations based on density functional theory which show in detail several effects of alkali adsorption on metal substrates and on molecules coadsorbed on the substrate. First, calculations of the isoelectronic reactivity index demonstrate a dramatic enhancement of the electronic polarizability of the metal substrate extending it several angstroms into the vacuum. This phenomenon is traceable to an unusual feature induced in the surface potential on alkali adsorption. The effect appears to be general and helps explain the observed substantial decrease in the vibrational frequency of molecules such as CO and O₂ when co-adsorbed with alkalis on metal surfaces. Next, for the oxidation of CO on Pd(111), we illustrate the changes in the reaction pathway and activation energy barriers induced in the presence of coadsorbed K. PACS 73.20.-r; 71.15.-m     

Synthesis, Characterization, and Biological Activity of n-Tributyltin Derivatives of Pharmaceutically Active Carboxylates

Summary.  Tributyltin(IV) derivatives of six different pharmaceutically active carboxylates were synthesized. The complexes were characterized by different analytical techniques (elemental analysis; infrared, NMR, and mass spectroscopy). ¹¹⁹Sn NMR data were also recorded in six different coordinating and non-coordinating solvents. The antibacterial activities of the compounds were tested using ten different bacteria relative to the reference drugs ampicillin and cephalexin. Received September 20, 2001. Accepted (revised) December 6, 2001     

Fabrication of magnetite nanoparticles (Fe3O4-NPs) for catalytic pyrolysis of nutshells biomass

The fabrication of nanoparticles has been perused as a topic of critical importance in the present decades. Biosynthesis of nanoparticles employs plants extract instead of harmful chemicals. These plant extracts act as reducing and capping agents which is the most appropriate and eco-friendly method among all the preparative routs. In present study, the magnetite nanoparticles (Fe₃O₄-NPs) were fabricated using rapid, single step and benign biosynthetic rout by reduction of ferric nitrate nonahydrate solution with Ferocactus echidne aqueous extract containing ascorbic acid as a main reducing and capping agent. The structural and morphological properties of prepared iron oxide nanoparticles were investigated by Powder X-ray diffraction and scanning electron microscopy. The size of the synthesized nanoparticles was approximately 15 ± 2 nm as determined by Scherrer equation. The biosynthetically fabricated nanoparticles were employed as catalyst for pyrolysis of nutshells to produce biofuel. Catalytic pyrolysis of biomass yields biofuel as an alternative source of energy and chemical feed stock. Effect of temperature, heating rate, and amount of catalyst were investigated on conversion percentage and product yields. Aniline point, carbon residue, and cetane number of prepared bio-oil were also determined.     

Effect of 60Co γ-irradiation on structural and optical properties of thin films of Ga10Se80Hg10

Thin films of Ga₁₀Se₈₀Hg₁₀ have been deposited onto a chemically cleaned Al₂O₃ substrates by thermal evaporation technique under vacuum. The investigated thin films are irradiated by ⁶⁰Co γ-rays in the dose range of 50–150 kGy. X-ray diffraction patterns of the investigated thin films confirm the preferred crystallite growth occurs in the tetragonal phase structure. It also shows, the average crystallite size increases after γ-exposure, which indicates the crystallinity of the material increases after γ-irradiation. These results were further supported by surface morphological analysis carried out by scanning electron microscope and atomic force microscope which also shows the crystallinity of the material increases with increasing the γ-irradiation dose. The optical transmission spectra of the thin films at normal incidence were investigated in the spectral range from 190 to 1100 nm. Using the transmission spectra, the optical constants like refractive index (n) and extinction coefficient (k) were calculated based on Swanepoel’s method. The optical band gap (E_g) was also estimated using Tauc’s extrapolation procedure. The optical analysis shows: the value of optical band gap of investigated thin films decreases and the corresponding absorption coefficient increases continuously with increasing dose of γ-irradiation.     

The growth of nanoscale periodic and dot-like structures on the surface of stainless steel with femtosecond laser pulses in the dry and wet ambient environment

The present work deals with growth of nanoscale periodic and dot-like structures on the surface of stainless steel (SS) by the irradiation of femtosecond laser pulses. For this purpose Ti: Sapphire femtosecond laser pulses (wavelength of 800 nm, pulse length of 25 fs and pulse repetition rate of 1 kHz) were employed in a dry (air) and liquid confined (deionized water and ethanol) environments. The targets were exposed to 1000 succeeding pulses for various fluences ranging from 50 to 150 mJ?cm^?2. Nanoscale structures including ripples, and dots were observed by SEM analysis. The growth and dependence of structure-formation on the ambient environment and laser fluence in both central as well as peripheral ablated areas is systematically investigated. The development of nanostructures and nanoripples is correlated with structural analysis carried out by micro Raman spectroscopy.     

Ailanthus altissima (Miller) Swingle fruit - new acyl β-sitosteryl glucoside and in vitro pharmacological evaluation

β-Sitosterol-3-O-(6?-O-13?-octadecenoyl)-β-D-glucoside (1), a new acyl β-sitosteryl glucoside, along with three known compounds β-sitosterol-3-O-β-D-glucoside (2), β-sitosterol (3) and methyl gallate (4) have been isolated from the ethyl acetate soluble fraction of methanolic extract of Ailanthus altissima fruits. Their structures were elucidated through spectroscopic data including 2D NMR, ESI-MS, methanolysis and oxidative cleavage of double bond. Antibacterial, antifungal, cytotoxic, phytotoxic and insecticidal activities were evaluated of compound 1, crude extract and its fractions so far for the first time. Pharmacological activities results showed that n-butanol fraction was good active against Pseudomonas aeruginosa and Salmonella typhi bacteria, and moderate active against Microsporum canis fungus. Crude extract, n-butanol and aqueous fractions showed good cytotoxicity. Moreover, compound 1, extract and all fractions showed notable phytotoxicity at higher concentrations, whereas all inactive against assayed insects.     

Spectral and physico-chemical investigations of novel homo-dinuclear di-μ2-alkoxo bridged Schiff base complexes: 57Fe Mössbauer parameters of the Fe(III) complex

Spectral and molecular model computations on homo-dinuclear complexes [M₂L₂(H₂O)₂Cl₂] [L = 1-(salicylaldeneamino)-3-hydroxypropane, M = Cr³⁺, Mn³⁺, Fe³⁺, Co³⁺, Ni³⁺ or Cu³⁺] are consistent with a distorted hexa-coordinate geometry. X-band EPR spectral data indicated a rhombic distortion around Cu(II) ion. Magnetic moment and ⁵⁷Fe Mössbauer data confirmed a high-spin state electronic configuration (t_2g³e_g², S = 5/2) and asymmetric ligand environment around Fe(III) with nuclear transitions Fe(±3/2 → 1/2) exhibiting Kramer's double degeneracy. The neighboring Fe(III) nuclei in the homo-dinuclear species are antiferromagnetically coupled.     

Simultaneous determination of ofloxacin,tetrahydrozoline hydrochloride,and prednisolone acetate by high-performance liquid chromatography

A simple, specific, and precise high-performance liquid chromatographic method has been developed for the simultaneous determination of ofloxacin (OFX), tetrahydrozoline hydrochloride (THC), and prednisolone acetate (PAC) in ophthalmic suspension using propylparaben (POP) as the internal standard. The mobile phase consists of 0.05 M phosphate buffer-acetonitrile (65:35, v/v), and the pH is adjusted to 2.7 with orthophosphoric acid. A column containing octadecyl silane chemically bonded to porous silica particles (Waters Spherisorb, 5 microm ODS 1, 4.6 x 150 mm) is used as the stationary phase. The detection is carried out using a variable wavelength UV-vis detector set at 210 nm for OFX and THC and 254 nm for POP (internal standard) and PAC. The solutions are chromatographed at a constant flow rate of 1.2 mL/min. Retention times for OFX, THC, POP, and PAC are approximately 2.5, 4.5, 7.8, and 9.5 min, respectively. The relative retention times are approximately 0.14 min for OFX, 0.35 min for THC, 1.00 min for POP, and 1.22 min for PAC. The linearity range and percent recoveries for OFX, THC, and PAC are 24-120, 4-16, and 16-80 microg/mL and 100.48%, 100.34%, and 100.21%, respectively.     

Regio‐ and Enantioselective Synthesis of Sulfone‐Bearing Quaternary Carbon Stereocenters by Pd‐Catalyzed Allylic Substitution

Chiral sulfones are of great importance in medicinal chemistry and chemical synthesis. Efficient methods for preparing enantiomerically enriched sulfone‐containing molecules can therefore be of significant value; such methods, however, are uncommon. Herein, we report the first general palladium‐catalyzed sulfonylation of vinyl cyclic carbonates with sodium sulfinates. A series of enantiomerically enriched tertiary allylic sulfones were synthesized in good yields with excellent enantiomeric ratios. Both aliphatic‐ and aryl‐substituted vinyl cyclic carbonates are suitable reactants with excellent results. This reaction features broad substrates scope, readily available starting materials, excellent regio‐ and enantioselectivity, and synthesis of sulfone‐bearing quaternary carbon stereocenters. Through the sulfonylation of geranyl derived cyclic carbonate 1 h , we achieve the formal total synthesis of (+)‐agelasidine A.     

Eugenol: a natural compound with versatile pharmacological actions

Eugenol, the major constituent of clove oil, has been widely used for its anesthetic and analgesic action in dentistry. Eugenol exhibits pharmacological effects on almost all systems and our aim is to review the research work that has identified these pharmacological actions. Eugenol possesses significant antioxidant, anti-inflammatory and cardiovascular properties, in addition to analgesic and local anesthetic activity. The metabolism and pharmacokinetics of the compound in humans have been studied. Eugenol has also been used as a penetration enhancer. The compound is a very promising candidate for versatile applications, and the design of new drugs based on the pharmacological effects of eugenol could be beneficial.