First principles study of electronic properties,interband transitions and electron energy loss of <Emphasis Type="Italic">α</Emphasis>-graphyne

The electronic and optical properties of α-graphyne sheet are investigated by using densityfunctional theory. The results confirm that α-graphyne sheet is a zero-gap semimetal. Theoptical properties of the α-graphyne sheet such as dielectric function,refraction index, electron energy loss function, reflectivity, absorption coefficient andextinction index are calculated for both parallel and perpendicular electric fieldpolarizations. The optical spectra are strongly anisotropic along these two polarizations.For (E ∥x), absorption edge is at 0 eV, while there is noabsorption below 8 eV for (E ∥z).     

Total matchings and total coverings of graphs

In graph theory, the related problems of deciding when a set of vertices or a set of edges constitutes a maximum matching or a minimum covering have been extensively studied. In this paper we generalize these ideas by defining total matchings and total coverings, and show that these sets, whose elements in general consist of both vertices and edges, provide a way to unify these concepts. Parameters denoting the maximum and the minimum cardinality of these sets are introduced and upper and lower bounds depending only on the order of the graph are obtained for the number of elements in arbitrary total matchings and total coverings. Precise values of all the parameters are found for several general classes of graphs, and these are used to establish the sharpness of most of the bounds. In addition, variations of some well known equalities due to Gallai relating covering and matching numbers are obtained.     

One-pot multicomponent synthesis of indol-3-yl-hydrazinyl thiazoles as antimicrobial agents

A series of novel mono- and bis(indol-3-yl)hydrazinyl thiazole derivatives were efficiently synthesized via one-pot cyclocondensation of mono- or bis(indole-3-carbaldehyde), thiosemicarbazide, and phenacyl bromides. The structure of the products was confirmed by Fourier-transform infrared (FT-IR), ¹H nuclear magnetic resonance (NMR), and ¹³C NMR spectra. All synthesized compounds were evaluated for in vitro antibacterial activity against Gram-positive (Bacillus subtilis and Micrococcus luteus) and Gram-negative bacteria (Pseudomonas aeruginosa and Salmonella enteritis). Among the compounds screened, a few were found to be highly effective antibacterial agents. The bis-compounds with OCH₃ donating group exhibited good activity against the Gram-positive bacteria.     

Optimized mercapto-modified resorcinol formaldehyde xerogel for adsorption of lead and copper ions from aqueous solutions

Journal of Sol-Gel Science and Technology - Resorcinol formaldehyde (RF) xerogel was modified by mercapto functional groups for removal of Pb(II) and Cu(II) ions from aqueous solutions. The...     

The first heterogeneous Sonogashira coupling reaction of aryl halides with terminal alkynes catalyzed by diatomite‐supported palladium(II) salophen complex

We report here our observation that, using appropriate reaction conditions, the Sonogashira reaction can be performed without the need for copper catalyst and solvent. Our approach involves the use of diatomite‐supported palladium(II) salophen complex as a catalyst and triethylamine as a base. The methodology works, to differing extents, for aryl iodides and bromides. This heterogeneous catalyst can be reused at least five times without any decrease in activity. Copyright © 2011 John Wiley & Sons, Ltd.     

A green and efficient Pd-free protocol for the Suzuki–Miyaura cross-coupling reaction using Fe3O4@APTMS@Cp2ZrClx(x = 0, 1, 2) MNPs in PEG-400

Research on Chemical Intermediates - In this paper, a new application of the Fe3O4@APTMS@Cp2ZrClx(x = 0, 1, 2) MNPs as a robust and highly efficient Pd-free catalytic system in the environmentally...