Experimental investigation of long-wavelength optical lattice vibrations in quaternary AlxInyGa1−x−yN alloys and comparison with results from the pseudo-unit cell model

Raman and Fourier transform infrared (FTIR) spectroscopies have been utilized to measure long-wavelength optical lattice vibrations of high-quality quaternary Al_xIn_yGa_1−x−yN thin films at room temperature. The Al_xIn_yGa_1−x−yN films were grown on c-plane (0 0 0 1) sapphire substrates with AlN as buffer layers using plasma assisted molecular beam epitaxy (PA-MBE) technique with aluminum (Al) mole fraction x ranging from 0.0 to 0.2 and constant indium (In) mole fraction y=0.1. Pseudo unit cell (PUC) model was applied to investigate the phonons frequency, mode number, static dielectric constant, and high frequency dielectric constant of the Al_xIn_yGa_1−x−yN mixed crystals. The theoretical results were compared with the experimental results obtained from the quaternary samples by using Raman and FTIR spectroscopies. The experimental results indicated that the Al_xIn_yGa_1−x−yN alloy had two-mode behavior, which includes A₁(LO), E₁(TO), and E₂(H). Thus, these results are in agreement with the theoretical results of PUC model, which also revealed a two-mode behavior for the quaternary nitride. We also obtained new values of E₁(TO) and E₂(H) for the quaternary nitride samples that have not yet been reported in the literature.     

Effects of MnO<Subscript>2</Subscript> nano-particles on the conductivity of PMMA-PEO-LiClO<Subscript>4</Subscript>-EC polymer electrolytes

Li-ion rechargeable batteries based on polymer electrolytes are of great interest for solid state electrochemical devices nowadays. Many studies have been carried out to improve the ionic conductivity of polymer electrolytes, which include polymer blending, incorporating plasticizers and filler additives in the electrolyte systems. This paper describes the effects of incorporating nano-sized MnO₂ filler on the ionic conductivity enhancement of a plasticized polymer blend PMMA–PEO–LiClO₄–EC electrolyte system. The maximum conductivity achieved is within the range of 10⁻³ S cm⁻¹ by optimizing the composition of the polymers, salts, plasticizer, and filler. The temperature dependence of the polymer conductivity obeys the VTF relationship. DSC and XRD studies are carried out to clarify the complex formation between the polymers, salts, and plasticizer.     

Gas by-products of CF3I under AC partial discharge

This paper presents the decomposition by-products of trifluro-iodo-methane and their relative proportions in the gas phase under the occurrence of partial discharge. The experiment was performed in the presence of water vapor from 250 to 400 ppm under a non-uniform electric field configuration. The experimental results reveal that the by-products of C₂F₆, C₂F₄, C₂F₅I with the amount of 1300, 200, and 55 (CH₃I) ppm, respectively, were produced for a cumulative charge of 161 mC. Other by-products, such as C₃F₈, CHF₃, C₃F₆ CH₃I were obtained at less than 30 ppm C₂F₆ was the dominant gas by-product of trifluro-iodo-methane suffering partial discharge.     

Modelling and measuring the thermal conductivity of multi-metallic Zn/Cu nanofluid

A metallic nanofluid is a suspension of metallic nanoparticles in a base fluid. Multi-metallic nanoparticles are a combination of two or more types of metallic particles. Such multi-metallic nanoparticles were suspended in water using an ultrasonic vibrator for different total volume fractions and different ratios of metallic/metallic nanoparticles. A transient hot wire setup was built to measure the thermal conductivity of the nanofluid at different temperatures. The experimental results were in good agreement with the results in the literature. Then, the experimental results were used as input data for an adaptive neural fuzzy inference system (ANFIS) to predict the thermal conductivity of the multi-metallic nanofluid. The maximum deviation between the ANFIS results and experimental measurements was 1 %. The predicted results and the experimental data were compared with other models. The ANFIS model was found to have good ability to predict the thermal conductivity of the multi-metallic nanofluid over the range of the experimental results.     

Synthesis,characterization, electrochemistry and evaluation of biological activities of some ferrocenyl Schiff bases

Synthesis of ferrocenyl Schiff bases ( 1–6 ) was carried out by the condensation reaction of 4‐ferrocenyl aniline with different substituted aromatic aldehydes and acetyl acetone. Compounds were characterized by physical measurements, elemental analysis, FT‐IR, ¹H‐NMR and ¹³C‐NMR spectroscopy. Single crystal X‐ray analysis of compound 2 showed the co‐planarity of both aromatic rings connected by a C–N double bond. Compounds demonstrated reversible one‐electron redox behavior and their peak currents were found to increase linearly with the square root of the sweep rate ν^1/2. The overall electrode processes were found to be diffusion controlled. Compounds 1 and 4 showed low cytotoxicity and appreciable antifungal, antioxidant and DNA protection activities. Copyright © 2010 John Wiley & Sons, Ltd.     

Phosphorus ligands for iron(III)‐mediated ATRP of styrene via generation of activators by monomer addition

Styrene polymerization via generation of activators by monomer addition (GAMA) for atom transfer radical polymerization (ATRP) has been examined extensively with bulk FeX₃ and FeX₂ at 110 °C in conjunction with various phosphorus‐bearing ligands. It was found that GAMA possesses advantages over normal ATRP. Most importantly, narrower polydispersity index (PDI) values were observed from the styrene polymerizations with Fe(III) over those with Fe(II). Every instance of 2‐(diphenylphosphino)‐N,N′‐dimethyl‐[1,1′‐biphenyl]‐2‐amine and 2‐(diphenylphosphino) pyridine with the Fe(III) system were controlled excellently without addition of any radical initiator or reducing agent additives. Initiator type was found to exert a significant factor to influence on the controllability of polymerization. The initiation of 1‐phenylethyl chloride and methyl‐2‐chloropropionate gave rise to formation of polymers with narrow PDI (1.05–1.20), whereas those from 1‐phenylethyl bromide increased to 1.35. The GAMA of bulk styrene exhibited the best performance in terms of both rate and controllability compared with toluene and anisole. Both formation of block copolymer from the macroinitiator and efficient perturbation of polymerization with 2,2,6,6‐tetramethylpiperidine 1‐oxyl provided firm evidence to support the living and radical characteristics for the GAMA of styrene. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 144–151, 2010     

Electronic structures of carbazole and its derivatives: A semi-empirical study on the substitution effects of carbazole

The electronic structures of carbazole, N-phenylcarbazole (NPC), cyanophenylcarbazole (CPC) and N-ethylcarbazole (NEC) have been calculated using the quantum chemical semi-empirical MINDO/3 method. In this paper, electronic ground states and first singlet excited states of the systems mentioned were investigated. It is observed that the excitation energy of carbazole based on the calculated difference in heats of formation agrees quite well with experimental data obtained from supersonic expansion studies. Calculated energy levels of molecular orbitals and their graphical forms are used qualitatively in elucidating the S₀ → S₁ excitation electronic origin red shifts observed in carbazole derivatives with respect to the electronic origin of the parent carbazole. It is noted that the red shifts are not just a result of the destabilization of the HOMO of carbazole but are also determined by the nature of the substituting moieties. It is also observed that the LUMO of CPC is not derived from the parent carbazole which partially explains the difference in electronic behaviour as compared with the other derivatives.     

Sonochemical Synthesis of Gold Nanoparticles by Using High Intensity Focused Ultrasound

The sonochemical synthesis of gold nanoparticles (GNPs) with different shapes and size distributions by using high‐intensity focused ultrasound (HIFU) operating at 463 kHz is reported. GNP formation proceeds through the reduction of Au³⁺ to Au⁰ by radicals generated by acoustic cavitation. TEM images reveal that GNPs show irregular shapes at 30 W, are primarily icosahedral at 50 W and form a significant amount of nanorods at 70 W. The size of GNPs decreases with increasing acoustic power with a narrower size distribution. Sonochemiluminescence images help in the understanding of the effect of HIFU in controlling the size and shapes of GNPs. The number of radicals that form and the mechanical forces that are generated control the shape and size of the GNPs. UV/Vis spectra and TEM images are used to propose a possible mechanism for the observed effects. The results presented demonstrate, for the first time, that the HIFU system can be used to synthesise size‐ and shape‐controlled metal nanoparticles.     

Rapid preparative isolation of erythrocentaurin from Enicostemma littorale by medium‐pressure liquid chromatography,its estimation by high‐pressure thin‐layer chromatography,and its α‐amylase inhibitory activity

Erythrocentaurin is a relatively simple natural product present among the members of Gentianaceae. A preparative method for the isolation of erythrocentaurin from the ethyl acetate fraction of Enicostemma littorale using medium‐pressure liquid chromatography has been reported. The method consisted of a simple step gradient from 10 to 20% ethyl acetate in n‐hexane. Using a 70 × 460 mm Si60 column, this method is capable of processing 20 g of material in <3 h (purity ≈ 97%). The recovery of erythrocentaurin was 87.77%. Estimation of erythrocentaurin in extracts and fractions based on high‐pressure thin‐layer chromatography was carried out on silica gel 60 F₂₅₄ plates with toluene/ethyl acetate/formic acid (80:18:2 v/v/v) as the mobile phase. The densitometric analysis was performed at 230 nm. A well‐separated compact band of erythrocentaurin appeared at R_f 0.54 ± 0.04. The analytical method showed good linearity in the concentration range of 200–1500 ng/band with a correlation coefficient of 0.99417. The limits of detection and quantification were found to be ≈60 and ≈180 ng/band, respectively. Erythrocentaurin exhibited a concentration‐dependent α‐amylase inhibition (IC₅₀ 1.67 ± 0.28 mg/mL). The outcome of the study should be considered for pharmacokinetic and biotransformation studies involving E. littorale.     

Asymmetric Transfer Hydrogenation Catalyzed by Mesoporous MCM‐41‐Supported Chiral Ru‐Complex

Chiral N‐sulfonyldiamine was successfully anchored on mesoporous MCM‐41 silica. The MCM‐41‐supported chiral N‐sulfonyldiamine was used as an efficient heterogeneous chiral ligand in the asymmetric transfer hydrogenation of ketones. This heterogeneous system offered satisfactory enantioselectivities up to 94 % with excellent conversions.