Effect of aluminum on the morphological and textural properties of CuO-ZnO/H-Ferrierite

Hybrid catalysts containing CuO-ZnO or CuO-ZnO-Al₂O₃ as the metallic component and the zeolite H-ferrierite as support were prepared by both the coprecipitation-impregnation and coprecipitation-sedimentation methods. They were characterized by XRD, BET, and TEM. Aluminum was added to the metallic component, and the effects on the hybrid catalyst properties were studied. The metallic component blocked the zeolite micropore volume, and spaces were created between agglomerate particles of the first component, increasing mesopore volume. Aluminum introduction at a Cu/Zn/Al ratio of 55/30/15 favored the formation of hydrotalcite as a precursor to CuO/ZnO/Al₂O₃. In this case, small, highly dispersed particles of these oxides were obtained. In the coprecipitation-impregnation method, greater contact between the H-ferrierite zeolite and the metallic component was observed.     

Quasi-particle density of states of the one-dimensional Anderson-Hubbard Hamiltonian

The quasi-particle density of states of the one-dimensional Anderson-Hubbard Hamiltonian has been calculated. The effect of correlation on the local density of states of a disordered chain is shown to depend critically on the energy region.     

Domination by Positive Narrow Operators

We prove that each positive operator from a Köthe function-space E() to a Banach lattice F with a narrow majorant is itself narrow provided the norm on F is order continuous. We also prove that every l ²-strictly singular regular operator from L ^p[0,1], 1p < , to a Banach lattice F is narrow, provided F has an order continuous norm.     

Locally periodic Timoshenko rod: experiment and theory

The flexural vibrations of a locally periodic rod, which consists of N unit cells, are discussed both from the experimental and theoretical points of view. Timoshenko's beam theory and the transfer matrix method are used to calculate the normal-mode frequencies and amplitudes. The theoretical values are then compared with the experimental ones, which are obtained using an electromagnetic acoustic transducer (EMAT). Good agreement between the numerical results and the experimental measurements is obtained. It is shown that as N grows, a band spectrum emerges.     

Edge linking and image segmentation by combining optical and digital methods

We present a hybrid method for segmentation of intensity images, which combines an optical contouring technique and digital algorithms for linking edge points or image segmentation. In a first stage, the digital image to be processed is displayed in a twisted-nematic liquid-crystal display (LCD), which is placed between a polarizer–analyzer pair at 45 deg (instead of 90 deg as occurs in standard LCDs). It is not difficult to demonstrate that the proposed setup produces a resultant image with very pronounced dark contours at middle intensity. After the optical preprocessing, two different digital algorithms are applied: an edge linking algorithm (modified chain code) and a simple thresholding technique for image segmentation. The proposed procedure works well with monochromatic and color images. The method could be useful as a robust technique for segmentation of large images in real-time, which presents potential applications in medical and biological imaging.     

Synthesis and characterization of a family of layered trichalcogenides for assisted hydrogen photogeneration

Three layered trisulfides (TiS₃, ZrS₃, HfS₃) have been synthesized by solid–gas reaction between metal and sulfur in a vacuum sealed ampoule at 550 °C during 60 h. The samples used in this work were prepared from a colloidal suspension of powder of each one of the metal trisulfides (MS₃, M = Ti, Zr, Hf) in ethanol and deposited on titanium disks and quartz substrates by ”drop coating” technique. These samples have been characterized by X‐ray diffraction, energy dispersive analysis of X‐ray and scanning electron microscopy. The obtained direct optical band gaps are 1.0 ± 0.1 eV, 2.0 ± 0.1 eV and 2.2 ± 0.1 eV for TiS₃, ZrS₃ and HfS₃, respectively. Photoelectrochemical measurements in 0.5 M Na₂SO₃ have been carried out to characterize the MS₃/electrolyte interface. The flat‐band potentials (V_fb) vs. Ag/AgCl measured by electrochemical impedance spectroscopy (EIS) are –0.84 ± 0.02 V (TiS₃), –0.93 ± 0.02 V (ZrS₃) and –0.92 ± 0.02 V (HfS₃). Hydrogen generation was investigated in a photoelectrochemical cell (PEC) with MS₃ as photoanodes under white light illumination of 200 ± 20 mW/cm² at external bias potentials of 0.3 V vs. Ag/AgCl. Hydrogen evolution flows have been quantified by quadrupole mass spectrometry (QMS) reaching instantaneous values up to 19 ± 2 nmol H₂/min cm² with TiS₃ as photoanode.     

Computational Study of Cage Like (ZnO)12 Cluster Using Hybrid and Hybrid Meta Functionals

Density Functional Theory employing hybrid and M06 functionals in combination with three different basis sets is used to calculate the ground state of a cage like (ZnO)₁₂ nanocluster which has been consistently reported as the more stable cluster for its particular size. B3LYP and B3PW91 hybrid functionals combined with 6‐31+G*, Lanl2dz and SDD basis sets are employed to treat the ZnO molecular system. Alternatively, three M06 functionals in combination with three basis sets are employed in the nanostructure calculations. Results obtained by treating ZnO sodalite cage nanocluster with M06 functionals demonstrated comparable quality to results obtained with hybrid functionals. Within this study, efficient theoretical DFT methods with the widely known hybrid and the recently created M06 meta‐hybrid functionals are employed to study nanostructured ZnO. Our resulting parameters provide a fresh approach performance wise on the different theoretical methods to treat transition metal nanostructures, particularly, ZnO nanoclusters geometry and electronic structure.     

Synthesis in Water and Antimicrobial Activity of 5-Trichloromethyl-4,5-dihydroisoxazoles

Two series of 5-trichloromethylisoxazoles were synthesized from the cyclocondensation of 1,1,1-trichloro-4-methoxy-3-alken-2-ones [Cl₃CC(O)C(R²) = C(R¹)OMe, where R¹ = H, Me, Et, Pr, iso-Pr, cyclo-Pr, Bu, terc-Bu, CH₂Br, CHBr₂, CH(Me)SMe, (CH₂)₂Ph, and Ph, and R² = H; R¹ = H and R² = Me and Et; R¹ and R² = -(CH₂)₄- and -(CH₂)₅-; and R¹ = Et and Ph and R² = Me] with hydroxylamine hydrochloride through a rapid one-pot reaction in water. The 5-trichloromethyl-4,5-dihydroisoxazoles were aromatized by reaction with concentrated sulfuric acid to obtain the respective 5-trichloromethylisoxazoles. Their structures were confirmed by elemental analysis, ¹H/¹³C nuclear magnetic resonance, and electron impact mass spectroscopy. Crystal structure analysis for 5-triclhoromethyl-5-hydroxy-3-propyl-4,5-dihydroisoxazole (2d) and 5-trichloromethyl-5-hydroxy-3,4-hexamethylene-4,5-dihydroisoxazole (2o) is presented. The antimicrobial activities of the 5-trichloromethyl-4,5-dihydroisoxazole derivatives were examined using the standard twofold dilution method against Gram-positive bacteria (Staphylococcus aureus), Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa), and yeasts (Candida spp. and Cryptococcus neoformans). All of the tested 5-trichloromethyldihydroisoxazoles exhibited antibacterial and antifungal activities at the tested concentrations.

Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications® to view the free supplemental file.     

Characterization of the Suzuki phase in doped alkali halides by Raman spectroscopy

The symmetries and frequencies of the Raman active modes of the Suzuki phase in the systems 6NaCl:CdCl₂; and 6NaCl:MnCl₂, have been calculated. Three of the four peaks allowed by symmetry (A_1g and 2F_g) agree to within 25% in position with the experimental values presented here and with other experimental results. The fourth peak (E_g) seems to be associated with a very soft mode, which explains why this peak has not been observed. The features of the Raman spectrum depend mainly upon the chlorine ions.