Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity

The structures of a series of spherical host-guest complexes [{MeE(PPh)(3)Li(4)·3thf}(4)(μ(4)-X)](-) (E = Al, [1X](-); E = Ga, [2X](-); E = In, [3X](-)) reveal that changing the halide ions (X = Cl, Br, or I) within their central tetrahedral Li(4) sites has negligible effect on the structural parameters.     

Removal of toxic hexavalent chromium by polyaniline modified clinoptilolite nanoparticles

In this work clinoptilolite nanoparticles were modified with conducting polyaniline by the polymerization of anilinium cations in and out side of the clinoptilolite channels and a nanocomposite of polyaniline/clinoptilolite was obtained. Cations (Na⁺, K⁺, Mg²⁺, Ca²⁺...) in the natural clinoptilolite structure were exchanged with anilinium cations by the treatment of clinoptilolite nanoparticles in an acidic solution of aniline monomer. The cation exchange process was confirmed by elemental analysis of nitrogen and carbon atoms of anilinium cations in clinoptilolite dry powder after treatment. The polyaniline/clinoptilolite nanocomposite was obtained by the oxidative polymerization of anilinium cations within the clinoptilolite structure. The polyaniline/clinoptilolite nanocomposite was characterized utilizing FT-IR and X-ray diffraction measurements and was used for the removal of Cr(VI) from aqueous solutions in chromate anion form as an important water pollutant. The effect of a number of parameters such as initial concentration of Cr(VI), amount of nanocomposite and contact time on the removal efficiency of Cr(VI) by polyaniline/clinoptilolite nanocomposite were determined and optimized. It was found that after 5 min of exposure of nanocomposite powder with Cr(VI) solutions in the concentration range of 25 to 100 ppm, more than 98% of chromate anions can be removed and the Cr(VI) removal capacity per one gram of nanocomposite is about 0.3 mmol of Cr(VI).     

Effect of protonation on individual hydrogen bonds in the 8-oxoguanine-cytosine base pair: NMR,NBO and AIM analyses

Protonation increases the total binding energy of the 8-oxoguanine-cytosine (8OG:C) base pair by 60–70% at the B3LYP/6-311++G(d,?p) level of theory. It changes the individual H-bond energies, estimated from electron charge densities at bond critical points, by 1.16 to ?16.41?kcal?mol^?1. The individual H-bond energies and the two bond X–Y spin–spin coupling constants (^2hJ_X–Y) increase with protonation where 8OG behaves as an H-bond donor; the reverse is true for the H-bonds in which the 8OG unit acts as an H-bond acceptor. Similar to ^2hJ_X–Y, the value of ^1hJ_O–H (a one-bond H?···?Y spin–spin coupling constant) is distance dependent and in linear correlation with the O?···?H distance, but the ^1hJ_N–H values are independent of the N–H distance and the PSO term is the predominant portion in it. The ¹J_X–H spin–spin coupling constant is dominated by the negative FC term for all hydrogen bonds, although the PSO term is the best to investigate the behaviour of ¹J_X–H across the X–H?·?Y H-bond.     

Design and tailoring of one-dimensional ZnO nanomaterials for photocatalytic degradation of organic dyes: a review

Research on Chemical Intermediates - Photocatalysis using semiconductors has emerged as a promising wastewater treatment process to overcome the major challenges faced by conventional technologies....     

Analysis and design of simple low-loss wide-angle waveguide bends

In this paper a simple low-loss planar waveguide wide-angle bend is proposed and analyzed. The waveguide bend of this work consists of a curved tapered angle such that its tapering can be adjusted for a minimum loss (maximum transmission coefficient) and small dimension of bend. The analysis is done using wide-angle BPM (beam propagation method) type Pade (4,4). The simulated results of different bends show that at the same transmission coefficient the area required for the proposed bends are smaller than those of the abrupt bends.     

Preparation of tin oxide (IV) nanoparticles by a green chemistry method and investigation of its role in the removal of organic dyes in water purification

Research on Chemical Intermediates - In this research, tin oxide nanoparticles (SnO2-nanoparticles) are synthesized using sol–gel method in polymeric bed and considering the principals of...     

Synthesis and photocatalytic activity assessing of the TiO<Subscript>2</Subscript> nanocomposites modified by some lanthanide ions and tin-derivative sandwich-type polyoxometalates

New nanocomposites containing sandwich-type polyoxometalate of [(PW₉O₃₄)₂(HOSn^IVOH)₃]^12? (P₂W₁₈Sn₃) loaded onto Ln-doped TiO₂ (Nd, Sm, Dy, Tb) nanoparticles were synthesized and their catalytic activities were assessed. The Ln–TiO₂ nanoparticles and Ln–TiO₂/P₂W₁₈Sn₃ nanocomposites were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction, field emission scanning electron microscope, energy dispersive analysis of X-rays spectra and diffuse reflectance spectra. The photocatalytic efficiency of the Ln–TiO₂ and Ln–TiO₂/P₂W₁₈Sn₃ were examined in the photodegradation of methyl orange and methylene blue solutions. It was revealed through different characterization techniques that the P₂W₁₈Sn₃ was successfully loaded on the lanthanide-doped anatase phase TiO₂ nanoparticles and the particles diameter were relatively 20–30 nanometers. It was revealed that doping by the lanthanide ions followed by loading of polyoxometalates improves the photocatalytic performance of TiO₂ effectively. The effects of operational parameters and the kinetics of photocatalytic degradation under UV light were discussed. The prepared nanocomposites were stable and could be easily separated from the reaction system.     

A Novel LSB Based Quantum Watermarking

Quantum watermarking is a technique which embeds the invisible quantum signal such as the owners identification into quantum multimedia data (such as audio, video and image) for copyright protection. In this paper, using a quantum representation of digital images a new quantum watermarking protocol including quantum image scrambling based on Least Significant Bit (LSB) is proposed. In this protocol, by using m-bit embedding key K₁ and m-bit extracting key K₂ a m-pixel gray scale image is watermarked in a m-pixel carrier image by the original owner of the carrier image. For validation of the presented scheme the peak-signal-to-noise ratio (PSNR) and histogram graphs of the images are analyzed.     

Structural, solid-state NMR and theoretical studies of the inverse-coordination of lithium chloride using group 13 phosphide hosts

The reaction of MeAlCl2 with 'PhPLi2' in THF gives [{MeAl(PPh)3Li(4).3 THF}4(mu4-Cl)]-Li+ (1). The GaIII and InIII analogues, [{MeE(PPh)3Li(4).3 THF}4(mu4-Cl)]-Li+(THF)3 (E=Ga (2), In (3)), are obtained by the in situ reactions of MeECl2 with PhPLi2 in THF. For all of the complexes, the cage anions have an unusual cubic arrangement that is similar to a zeolite, and contain large voids (ca. 17 A). The location of the Li+ counterions in 1-3 and their coordination environment appears to subtly reflect variations in packing and lattice energy. Whereas in 1 highly mobile, loosely coordinated Li+ counterions are present, 2 and 3 contain less mobile THF-solvated counterions within the cavities. X-ray crystallographic and solid-state NMR studies are reported on 1-3, together with model DFT calculations on the selectivity of halide coordination.