Chemical transformations of tetracyclo[3.3.1.1<Superscript>3,7</Superscript>.0<Superscript>1,3</Superscript>]decane (1,3-dehydroadamantane): II. Reaction of 1,3-dehydroadamantane with <Emphasis Type="Italic">N,N</Emphasis>-dialkylcarboxamides

Alkylation of N,N-dialkylcarboxamides with 1,3-dehydroadamantane has been accomplished for the first time. The reaction involves the C–H bond in the α-position with respect to the carbonyl group and provides a convenient one-step preparation of substituted carboxylic acid amides containing an 1-adamantyl substituent and a pharmacophoric group in the amide moiety.     

Fluid flow and heat transfer around circular cylinder – flat and curved plates combinations

Experimental studies were carried out to investigate the fluid flow and heat transfer around a heated circular cylinder which was placed at various distances of a wall boundary with different geometries (flat or curved plate) with subcritical Reynolds number ranging from 3.5×10³ to 10⁴. The effects of plate geometry (aspect ratio: W|H=1.0,1.5 and 2.0, and rim angle, φ=0°,60°,90°, and 120°) and gap ratio, (G|D=0.0,0.86,2.0,7.0,10.0) on the fluid flow and heat transfer characteristics (static pressure around cylinder surface, wake width, base pressure, pressure drag coefficients, velocity distribution, and both local and mean Nusselt numbers) were presented. Also flow visualization was carried out to illustrate the flow patterns around the cylinder at various gap ratios (G|D). It was found that the heat transfer and fluid flow characteristics are dependent on the plate geometry at all tested gap ratios, except for G|D=7.0 and 10.0, they are independent of the plate geometry.     

Synthesis and anticancer activity of some new s-glycosyl and s-alkyl 1,2,4-triazinone derivatives

A series of S-glycosyl and S-alkyl derivatives of 4-amino-3-mercapto-6-(2-(2-thienyl)vinyl)-1,2,4-triazin-5(4H)-one (1) were synthesized using different halo compounds such as preacetylated sugar bromide, 4-bromobutylacetate, 2-acetoxyethoxy-methyl bromide, 3-chloropropanol, 1,3-dichloro-2-propanol, epichlorohydrin, allyl bromide, propargyl bromide, phthalic and succinic acids in POCl3. The structures of the synthesized compounds have been deduced from their elemental analysis and spectral (IR, 1H-NMR, and 13C-NMR) data. Some of the synthesized compounds were screened as anticancer agents. Significant anticancer activities were observed in vitro for some members of the series, and compounds 4-Amino-3-(3-hydroxypropylthio)-6-(2-(2-thienyl)vinyl)-1,2,4-triazin-5(4H)-one (12) and 3-(4-Oxo-3-(2-(2-thienyl)vinyl)-4H-[1,3,4]thiadiazolo-[2,3-c][1,2,4]tr-iazin-7-yl)propanoic acid (18) are active cytotoxic agents against different cancer cell lines.     

Hydrazone-based ligands for micro-solid phase extraction-high performance liquid chromatographic determination of biogenic amines in orange juice

Eight hydrazone-based ligands were synthesized, trapped in a silica sol-gel matrix, and were subsequently used in the micro-solid phase extraction (μ-SPE) of biogenic amines (BAs). The BAs investigated were tryptamine, phenylethylamine, putrescine, histamine, tyramine and spermidine. Prior to the extraction, dansyl chloride was added to the samples which were heated to 70°C for 10 min. The samples were extracted with μ-SPE, after which analytes were desorbed using acetonitrile via ultrasonication. The extracts were analysed by high performance liquid chromatography (HPLC) with ultraviolet detection. Of the eight ligands investigated as sorbents, benzophenone 2,4-dinitrophenylhydrazone was found to be the most promising. The enhanced π-π interaction between the analytes and the ligand facilitated the adsorption process. Under the most suitable extraction conditions, the method demonstrated good linearity with correlation coefficient of more than 0.985 over a concentration range of 1-50 μg L(-1). Satisfactory repeatability with relative standard deviations of 7.43-11.30% (n=3) were obtained. Detection limits ranged from 3.8 to 31.3 ng L(-1). The μ-SPE method exhibited lower recoveries (71.5-87.4%) when compared to the solid phase extraction technique (79.7-95.0%), but enrichment factors of 94-460 were obtained. The proposed μ-SPE-HPLC method was applied to the determination of BAs in orange juice purchased from local supermarkets, with satisfactory results. The orange juices were characterized by the presence of relatively high levels of putrescine (range, 550-2210 μg L(-1)) but tryptamine and phenylethylamine were not detected in any of the tested samples.     

Syntheses, crystal structures, transport properties and first-principles electronic structure study of the (tTTF)2X (X=Br, I) low-dimensional antiferromagnets

An efficient synthetic procedure for the preparation of unsymmetrically substituted tetrathiafulvalene (TTF) donors has been used to obtain the trimethylene-tetrathiafulvalene (tTTF) donor with high purity. Good quality crystals of the two (tTTF)(2)X (X = Br, I) salts have been obtained by electrocrystallization. The two salts are isomorphous and contain tTTF layers which are built from (tTTF)(2) dimeric units. Both systems are low-dimensional antiferromagnets with the highest Ne?el temperatures for TTF based radical cation salts: ≈ 35 K (Br salt) and ≈43 K (I salt). The resistivity is found to substantially decrease with pressure although both salts still have activated conductivity at 25 kbar. First-principles Density Functional Theory (DFT) calculations have been used to investigate the relative strength of the three different types of magnetic interactions in the tTTF layers as well as the potential magnetic ground states. These calculations successfully predict the nature of the ground state and suggest a possible correlation between structural details and Ne?el temperatures for the bromine and iodine salts. Remarkably, the calculated antiferromagnetic ground state can be predicted from the nesting properties of the Fermi surface for the hypothetical Pauli paramagnetic metallic state.     

CuGaSe2 solar cells with 9.7% power conversion efficiency

Heterojunctions, such as ZnO/CdS/CuGaSe₂, were fabricated for photovoltaic applications. Optimization of device structures based on monocrystalline CuGaSe₂ led to the highest-to-date power conversion efficiencies for CuGaSe₂ solar cells. At room temperature under 100 mW/cm² AM1.5 illumination a maximum cell efficiency of 9.7% was achieved, given by an open-circuit voltage of 946 mV, a short circuit current density of 15.5 mA/cm², and a fill factor of 66.5%. Preparation and performance of the optimum device are described. Current voltage characteristics dependent on illumination intensity and temperature, spectral response and electron-beam-induced current measurements were performed to determine the device parameters as well as to analyse the current transport and loss mechanisms. Tunneling, assisted by defect levels in the CdS layer, seems to play a major role. High injection effects are observed at forward bias ofV > 0.5 V or an illumination level ofP > 10 mW/cm². Under such conditions, as well as at low temperatures, the non-zero series resistance comes into play. Effects of the shunt resistance, however, are negligible in all cases.