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Two new mesogenic compounds having a bicyclic aromatic thiazolo[5,4-d]thiazole linked to four 1,3,4-oxadiazol heterocycles were synthesised and their liquid-crystalline properties were investigated. The compounds exhibit enantiotropic hexagonal columnar mesophase with strong homeotropic orientation induced under confinement, and a wide mesophase range. The molecular packing is preserved at room temperature, especially the π-stacking inside the columns, which is essential for good charge carrier transport. They show high thermal stability, blue photoluminescence in solution, and blue-green in thin film. The morphology of spin-coated films is smooth even after thermal annealing, where large molecular-ordered domains were induced, but preserving the photoluminescence quantum yield. All characteristics suggest that this new class of mesogenic molecules is promising for technological applications. [ABSTRACT FROM AUTHOR]

Frequency upconversion (UC) luminescence in nanocrystalline zirconia (ZrO2) and hafnia (HfO2) doped with Er3+ and Yb3+ was studied under continuous-wave excitation at 980 nm. Samples of ZrO2:Er3+, ZrO2:Er3+/Yb3+, and HfO2:Er3+/Yb3+ were prepared by the sol-gel technique and characterized using x-ray diffraction and electron microscopy. A study of the infrared-to-green and infrared-to-red UC processes was performed including the analysis of the spectral and the temporal behavior. The mechanisms contributing to the UC luminescence were identified as excited state absorption and energy transfer among rare-earth ions. [ABSTRACT FROM AUTHOR]

The objective of this work was to synthesize cellulose acetate from sorghum bagasse, a promising raw material for the production of chemical inputs, both from a photosynthetic point of view and the maturation speed compared with that of sugarcane. The bagasse was treated with hydrogen peroxide, and then cellulose was isolated using sodium chlorite, acetic acid, and sodium hydroxide. The cellulose was subjected to an acetylation reaction, from which cellulose triacetate was obtained. By means of statistical analysis, it was observed that the conditions that generated the highest solubilization of lignin (62%) and higher yield from cellulose extraction (39.5%) were 60 °C, a 6% peroxide concentration, and 4 h. Cellulose acetate was obtained with a degree of substitution of 3.66 at 25 °C and 24 h. Fourier transform infrared spectroscopy, X-ray diffraction, thermogravimetry, differential thermogravimetry, and differential scanning calorimetry analyses confirmed that the obtained cellulose presented specific characteristics of this material. Also, the reaction of acetylation was confirmed through these techniques. [ABSTRACT FROM AUTHOR]

The objective of this work has been the synthesis of wollastonite by solution combustion method. The novelty of this work has been obtaining the crystalline phase without the need of thermal treatments after the synthesis. For this purpose, urea was used as fuel. Calcium nitrate was selected as a source of calcium and colloidal silica served as a source of silicon. The effect of the amount of fuel on the combustion process was investigated. Temperature of the combustion reaction was followed by digital pyrometry. The obtained products were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), and specific surface area. The results showed that the combustion synthesis provides nanostructured powders characterized by a high surface area. When excess of urea was used, wollastonite-2M was obtained with a submicronic structure. [ABSTRACT FROM AUTHOR]

The title complex cis-[Ru(dppm)2(bta)]PF6, dppm = 1,1-bis(diphenylphosphino)methane; bta– = 4,4,4-trifluoro-1-phenyl-1,3-butanedionate, was prepared from the cis-[RuCl2(dppm)2] precursor in mild conditions. Elemental analysis, spectroscopy (FTIR, 1H, 31P{1H} and 19F{1H} NMR) as well as single-crystal X-ray diffraction were used to characterize the new complex. Electronic structure of the complex was described utilizing TD-DFT analysis. All data indicate a good degree of purity, a cis arrangement for the diphosphines and a distorted geometry for the ruthenium center. [ABSTRACT FROM AUTHOR]

Hydrazones and several substituted hydrazones are associated with a broad spectrum of biological activities, as well as compounds containing the thiophene ring. In this context, a novel di-hydrazone derived from 2-thiophenecarboxylic acid hydrazide was synthesized and completely characterized by elemental analysis, XRD, FT-IR, Raman and UV–Vis spectroscopies, thermogravimetry, 1 H NMR, 1 H– 1 H COSY and 1 H– 1 H ROESY. A preliminary in silico pharmacological evaluation was also performed in order to assess the performance of the new compound regarding some molecular properties relevant for a drug's pharmacokinetics in the human body. [ABSTRACT FROM AUTHOR]

Highlights: [•] XRD patterns did not show structural differences with increasing polymerization times. [•] The presence of the functional group –OCH2CH3 in the ortho position of the carbon rings need to increase cell parameters. [•] Polymer morphology showed interconnected vesicular microspheres. [ABSTRACT FROM AUTHOR]

Abstract: The influence of microwave pretreatment on the grindability of high-ash Indian coal was investigated. Scanning electron microscope analysis characterized the micro fractures in microwave treated coal samples, which may be due to the thermal stress cracking resulting from the microwave pretreatment. X-ray diffraction analysis showed that the microwave treated coal had a higher peak compared to the untreated coal indicates that the crystallinity increased with the microwave exposure time. The calculation of the Hardgrove grindability index indicated an increase in the ease of grinding or an increase in the grindability index of the microwave treated coal. Bond grindability tests showed that the work index decreased 15.4% after a microwave exposure time of 120s. Grindability tests showed that the microwave treated coal ground much more rapidly initially than the untreated coal, with the specific rate of breakage (S1) increasing by an average of 15%. The results showed that the rates of breakage of both microwave untreated and treated coal samples were dependent on particle size. [Copyright &y& Elsevier]

PEO(1 − x)—NH4ClO4(x) samples with x = 0.18 are irradiated with gamma doses varying up to 50 kGy. DSC and XRD studies indicate, in general, a decrease in crystallinity with dose. Measurement of viscosity of aqueous solutions of the irradiated samples at the same concentration, shows that there is overall chain scission on irradiation, though there is evidence of some cross-linking also at higher doses. This is corroborated by FTIR measurements. The ion-conductivity shows a strong increase for irradiation dose 35 kGy. This suggests that there is a possibility of improving polymer electrolyte properties on gamma irradiation. [Copyright &y& Elsevier]

This paper reports the characterization of unaged and aged melamine fibers using various characterization techniques including atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), scanning electron microscopy (SEM) and thermal analysis. Since melamine fiber is a relatively new fiber, very few studies on its characterization have been made. Morphological studies of the fiber surface using SEM display die lines running along the filament surface, which are characteristics of synthetic fibers and generally occur during spinning of the molten prepolymer through the spinnerets. AFM studies show that the surface of a melamine fiber filament contains a large number of hills and valleys, which are triangular in shape. AFM roughness analysis shows that melamine fiber surface is considerably rough which may aid in adhesion of the fiber with polymeric matrices. Ageing causes an increase in the surface roughness with simultaneous increase in the crystallinity of the fiber from 19.4% to 22.6%. In XPS studies, high concentrations of carbonyl and hydroxyl groups on the filament surface have been detected. Ageing causes a reduction in the hydroxyl group concentration and an increase in the carbonyl group concentration due to surface oxidation. The reduction in the surface hydroxyl groups due to ageing has also been detected in the Fourier-Transform infrared (FT-IR) spectra of the aged fibers. Thermogravimetric (TG) studies reveal a high thermal stability of the melamine fiber even in an oxidative environment such as air. [ABSTRACT FROM AUTHOR]

Solid solution of nickel ferrite (NiFe2O4) and barium titanate (BaTiO3), (100-x)BaTiO3-(x) NiFe2O4 has been prepared by solid state reaction. Compressive strain is developed in NiFe2O4 due to mutual structural interaction across the interface of NiFe2O4 and BaTiO3 phases. Quantitative analysis of X-ray diffraction and X-ray photo electron spectrum suggest mixed spinel structure of NiFe2O4. A systematic study of composition dependence of composite indicates BaTiO3 causes a random distribution of Fe and Ni cations among octahedral and tetrahedral sites during non-equilibrium growth of NiFe2O4. The degree of inversion decreases monotonically from 0.97 to 0.75 with increase of BaTiO3 content. Temperature dependence of magnetization has been analyzed by four sublattice model to describe complex magnetic exchange interactions in mixed spinel phase. Curie temperature and saturation magnetization decrease with increase of BaTiO3 concentration. Enhancement of strain and larger occupancy of Ni2+ at tetrahedral site increase coercivity up to 200 Oe. Magnetostructual coupling induced by BaTiO3 improves coercivity in NiFe2O4. An increase in the demagnetization and homogeneity in magnetization process in NiFe2O4 is observed due to the interaction with diamagnetic BaTiO3. [ABSTRACT FROM AUTHOR]

Ferromagnetic BiFeO3 nanocrystals of average size 9 nm were used to form a composite with antiferromagnetic CuO nanosheets, with the composition (x)BiFeO3/(100−x)CuO, x = 0, 20, 40, 50, 60, 80 and 100. The dispersion of BiFeO3 nanocrystals into the CuO matrix was confirmed by x-ray diffraction and transmission electron microscopy. The ferromagnetic ordering as observed in pure BiFeO3 occurs mainly due to the reduction in the particle size as compared to the wavelength (62 nm) of the spiral modulated spin structure of the bulk BiFeO3. Surface spin disorder of BiFeO3 nanocrystals gives rise to an exponential behavior of magnetization with temperature. Strong magnetic exchange coupling between the BiFeO3 nanocrystal and the CuO matrix induces an interfacial superparamagnetic phase with a blocking temperature of about 80 K. Zero field and field cooled magnetizations are analyzed by a ferromagnetic core and disordered spin shell model. The temperature dependence of the calculated saturation magnetization exhibits three magnetic contributions in three temperature regimes. The BiFeO3/CuO nanocomposites reveal an exchange bias effect below 170 K. The maximum exchange bias field HEB is 1841 Oe for x = 50 at 5 K under field cooling of 50 kOe. The exchange bias coupling results in an increase of coercivity of 1934 Oe at 5 K. Blocked spins within an interfacial region give rise to a remarkable exchange bias effect in the nanocomposite due to strong magnetic exchange coupling between the BiFeO3 nanocrystals and the CuO nanosheets. [ABSTRACT FROM AUTHOR]

Abstract: Pt–Rare Earth/C electrocatalysts (Rare Earth=La, Ce, Pr, Nd, Sm, Tb, Dy, Ho and Er) were prepared by an alcohol reduction process using ethylene glycol as reduction agent and solvent and Vulcan XC72 as support. The electrocatalysts were characterized by energy dispersive X-ray analysis (EDX), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The electro-oxidation of methanol was studied in acid medium by cyclic voltammetry and chronoamperometry using thin porous coating technique. The XRD patterns indicate that all electrocatalysts present the face-centered cubic (fcc) structure of Pt and the presence of Rare Earth hydroxides. PtEr/C, PtTb/C, PtLa/C, PtDy/C and PtNd/C electrocatalysts prepared by this methodology showed superior performance for methanol electro-oxidation at room temperature compared to Pt/C. [Copyright &y& Elsevier]