About the singularities and bifurcations of double indices recursion sequences

This paper reports analytical and numerical investigations about the singularities and bifurcations of a new class of discrete dynamical systems defined generally by the following 2-D discrete systems: y _m+1,n+1=f(y _m,n ,y _m+1,n ,y _m,n+1); we consider particularly the case y_m+1,n+1 = f(y_m,n, y_m+1,n)y_{m+1,n+1} = f(y_{m,n}, y_{m+1,n}).     

Density functional theory study of hydrogen storage on Ni-doped C59X (X = B,N) heterofullerene

ABSTRACT

Hydrogen storage reactions on Ni ? C₅₉X(X = B, N) heterofullerene are investigated by using the state-of-the-art density functional theory calculations. The Ni atom prefers to bind at the bridge site between two hexagonal rings, and can bind up to five hydrogen molecules with average adsorption energies of (?0.94, ?0.48, ?0.33, ?0.25 and ?0.20 eV) per hydrogen molecule for Ni ? C₅₉B, while (?1.20, ?0.60, ?0.41, ?0.28 and ?0.23 eV) per hydrogen molecule for Ni ? C₅₉N. With no metal clustering, the system gravimetric capacities are expected to be as large as 10.87 and 10.85 wt % for 5H₂NiC₅₉B?and 5H₂NiC₅₉N, respectively. While the desorption activation barriers of the complexes 1H₂ + C₅₉X?(X = B, N)?are outside the Department of Energy domain (?0.2 to ?0.6 eV), the desorption activation barriers of the complexes nH₂ + C₅₉X(X = B, N)(n = 2 ? 5) are inside this domain. The hydrogen storage of the irreversible 1H₂ + NiC₅₉X?(X = B, N) and reversible 2H₂ + NiC₅₉X?(X = B, N) interactions is characterised in terms of density of states and projected densities of states, pairwise and non-pairwise additivity, infrared, Raman, electrophilicity and molecular electrostatic potentials.     

Propolis: Its Role and Efficacy in Human Health and Diseases

With technological advancements in the medicinal and pharmaceutical industries, numerous research studies have focused on the propolis produced by stingless bees (Meliponini tribe) and Apis mellifera honeybees as alternative complementary medicines for the potential treatment of various acute and chronic diseases. Propolis can be found in tropical and subtropical forests throughout the world. The composition of phytochemical constituents in propolis varies depending on the bee species, geographical location, botanical source, and environmental conditions. Typically, propolis contains lipid, beeswax, essential oils, pollen, and organic components. The latter include flavonoids, phenolic compounds, polyphenols, terpenes, terpenoids, coumarins, steroids, amino acids, and aromatic acids. The biologically active constituents of propolis, which include countless organic compounds such as artepillin C, caffeic acid, caffeic acid phenethyl ester, apigenin, chrysin, galangin, kaempferol, luteolin, genistein, naringin, pinocembrin, coumaric acid, and quercetin, have a broad spectrum of biological and therapeutic properties such as antidiabetic, anti-inflammatory, antioxidant, anticancer, rheumatoid arthritis, chronic obstruct pulmonary disorders, cardiovascular diseases, respiratory tract-related diseases, gastrointestinal disorders, as well as neuroprotective, immunomodulatory, and immuno-inflammatory agents. Therefore, this review aims to provide a summary of recent studies on the role of propolis, its constituents, its biologically active compounds, and their efficacy in the medicinal and pharmaceutical treatment of chronic diseases.     

Stability Of 2-Carboxyphenylhydrazoacetoacetanilide,and 2-Carboxyphenylhydrazobenzoylacetone Complexes of Rare-Earth Elements in Mixed Solvents

The overall stability constants of the 1:1 and 2:1 2-Carboxyphenylhydrazoacetoacetanilide (2-CPHAAA) and 2-Carboxyphenylhydrazobenzoylacetone (2-CPHBA) rare-earth chelates, were determined by a potentiometric method. The variation of the overall stability constants, “log β” with atomic number, of the lanthanide was ascribed to different degrees of dehydration of the cations. The 2-CPHBA ligand exhibited less affinity for rare earth cations than 2-CPHAAA. The correlation of “log β” versus the basicity of the ligands showed that 2-CPHAAA and 2-CPHBA form the same type of chelate in polar solvents but differ in non polar solvents.     

Theoretical characterization of axial deformation effects on hydrogen storage of Ti decorated armchair (5,5) SWCNT

Theoretical calculations have been performed in the framework of density functional theory to characterize the effect of axial deformation on hydrogen storage of Ti decorated armchair (5,5) SWCNT. The theoretical characterization has been carried out in terms of H₂ adsorption energies that are lying in the desirable energy window (?0.2 to ?0.6?eV) recommended by DOE, as well as a variety of physicochemical properties. A remarkable and significant change in H₂ adsorption energy is observed under the effect of only (1%) axial strain. Axial relaxation leads to H₂ adsorption energies within the recommended energy range for hydrogen storage, in contrast to axial compression. Simultaneous weakening of π and σ interactions, due to the effect of axial relaxation and loss of spatial orbital overlap, is in favor of hydrogen adsorption in the recommended energy range, and dominates the effect of charge transfer from Ti 3d to C 2p of the SWCNT. The calculated pairwise and non pairwise additive components confirm that the role of the SWCNT is not restricted to supporting the metal. Polarizability and hperpolarizabilty calculations as well as spectral analysis characterize the relaxed structure (Z?=?1.02), for which H₂ adsorption energy (?0.34?eV) is in the recommended energy range for hydrogen storage, to be energetically more preferable than the compressed structure (Z?=?0.99). The results offer a way to control and characterize the hydrogenation process of metal functionalized SWCNTs by strain loading.     

Utilization of saffron (<Emphasis Type="Italic">Crocus sativus L.</Emphasis>) as sensitizer in dye-sensitized solar cells (DSSCs)

Photoelectrodes of dye-sensitized solar cells (DSSCs) have been prepared using nanosized titanium dioxide that have soaked in a solution of different saffron (Crocus sativus L.) spice content in ethanol. The optimized polyacrylonitrile (PAN)-based gel polymer electrolyte with 40.93 wt.% ethylene carbonate, 37.97 wt.% propylene carbonate, 4.37 wt.% tetrapropylammonium iodide, 9.86 wt.% PAN, 1.24 wt.% 1-butyl-3-methylimidazolium iodide, 4.35 wt.% lithium iodide and 1.28 wt.% iodine has been used as the electrolyte for DSSC. The electrolyte has conductivity of 2.91 mS cm^?1 at room temperature (298 K). DSSCs were also sensitized with saffron solution that has been added with 30 wt.% chenodeoxycholic acid (CDCA) co-adsorbent and designated as DSSC P4. The solar cell converts light-to-electricity at an efficiency of 0.31%. This is 29% enhancement in efficiency for the DSSC without addition of CDCA in the saffron-ethanol solution. The DSSC exhibits current density at short-circuit (J _sc ) of 1.26 mA cm^?2, voltage at open circuit (V _oc ) of 0.48 V and 51% fill factor. DSSC P4 also exhibits the highest incident photon-to-current density of more than 40% at 340 nm wavelength.     

An efficient synthesis of substituted bis(indolyl)methanes using sodium bromate and sodium hydrogen sulfite in water

Treatment of indole with substituted aldehyde in the presence of equimolar amount of sodium bromate and sodium hydrogen sulfite mixture in water yielded corresponding substituted bis(indolyl)methanes in good yields. This provides a facile and environmentally friendly method towards the synthesis of an important class of organic compounds.     

Synthesis and characterization of aminocellulose sulfates as novel ampholytic polymers

Amino cellulose sulfate (ACS); namely 6-deoxy-6-(ω-aminoethyl) amino cellulose-2,3(6)-O-sulfate (AECS) and 6-deoxy-6-(2-(bis-N′,N′-(2-aminoethyl)aminoethyl)) amino cellulose-2,3(6)-O-sulfate (BAECS) were prepared by a three step synthesis starting with the functionalization of microcrystalline cellulose with p-toluenesulfonyl (tosyl) groups (degree of substitution, DS_Tos between 0.55 and 1.37). Subsequently the introduction of the sulfate moieties was carried out (DS_Sulf between 1.09 and 1.27) and the tosyl groups at position 6 were replaced by a nucleophilic substitution reaction. As nucleophilic agents 1,2-diaminoethane and tris-(2-aminoethyl)amine were applied, yielding AECS (DS_AEA values between 0.41 and 0.86) and BAECS (DS_BAEA values between 0.32 and 0.74), respectively. The ACS samples were characterized by means of elemental analysis, ¹³C-NMR-, FT-IR-, and UV–Vis spectroscopy. Moreover, the solubility of the samples in water at different pH values and the molecular weights of the samples in aqueous solution were studied.     

Ultrasound assisted one-pot, three-components synthesis of pyrimido[1,2-a]benzimidazoles and pyrazolo[3,4-b]pyridines: A new access via phenylsulfone synthon

A simple, facile, efficient and three-components procedure for the synthesis of pyrimido[1,2-a]benzimidazoles and pyrazolo[3,4-b]pyridines utilizing phenylsulfone synthon, under ultrasonic irradiation was developed.