Ceramic materials made of CdTe and Cd-Zn-Te nanocrystalline powders

In the present study newly produced semiconductor ceramic nanopowder materials made of CdTe and Cd_1−xZn_xTe (CZT) are considered. Common features and differences in microstructures, phase transformations, grain growth and properties of the ceramic materials of the binary and ternary compositions are studied.      

The effect of manganese on the structural and surface properties of nanocrystalline cobalt catalyst for ammonia synthesis

Based on the active surface model of the iron catalyst for ammonia synthesis, the assumptions which led to obtaining the cobalt catalyst for ammonia synthesis were described. The incorporation into the system small amounts of manganese, an element which binds oxygen stronger than cobalt, has influence the development of the catalyst’s specific surface area. The activity of manganese modified catalysts is higher than that of cobalt catalyst without manganese addition. The obtained catalysts were characterized with the following methods: ICP-OES, XRD, BET      

Pressure induced structural phase transitions—A review

The contemporary status of experimental as well as theoretical advances within the special view of structural phase transitions is reviewed. A brief outline of phase transitions and its classification is presented first. High-pressure experimental techniques developed for studying the structural phase transitions and elastic properties are reviewed. The complete set of theoretical and experimental data obtained is for the group II–IV alkaline earth chalcogenides. Here the authors review the currently used calculations and high-pressure behavior of these materials and the theoretical work that has been done on them.      

Recent development in capillary ion chromatography technology

This review summarizes the development of capillary ion chromatography (CIC) over approximately the last 5 years. It mainly focuses on the technologic aspects of several key components associated with CIC, including micropump, microscale electrodialytic eluent generator, microscale suppressor and the detector.      

Spectral study of coumarin-3-carboxylic acid interaction with human and bovine serum albumins

Fluorescence spectroscopy and circular dichroism (CD) spectroscopy were used to investigate the interaction of coumarin-3-carboxylic acid with human serum albumin (HSA) and bovine serum albumin (BSA) under physiological conditions in a buffer solution of pH 7.4.      

Facile dehalogenation of halogenated anilines and their derivatives using Al-Ni alloy in alkaline aqueous solution

This article describes the simple hydrodehalogenation of halogenated anilines and their derivatives by the action of Raney aluminium-nickel alloy in aqueous alkaline solution at room temperature. The reaction course was monitored by means of 1H nuclear magnetic resonance (NMR) spectroscopy and GC-MS spectra.      

Metathesis transformations of unsaturated derivatives of β-diketones

Selected β-diketones bearing unsaturated derivatives have been demonstrated to undergo homo-metathesis and cross-metathesis with selected olefins in the presence of Grubbs catalysts. The reactions led to respective homo- and cross-metathesis products mainly with good yields and selectivities.      

The binary system PbO - BiVO4

Phase equilibria established in the PbO - BiVO₄ system over the whole component concentration range up to 1000°C have been investigated. A phase diagram has been constructed using DTA and XRD.      

Electrochemical study and MO — modeling of the reduction behaviour of some arylidene substituted derivatives of dibenz [b,e]-thiepin-5,5-dioxide-11-one

The electrochemical reduction of four arylidene substituted derivatives of dibenz-[b,e]-thiepin-5,5-dioxide-11- one has been studied by cyclic voltammetry on platinum (Pt) electrode in aprotic media (DMSO), coupled with spectral EPR techniques. From the analysis of cyclic voltammetry experiments, aided by digital simulations using DigiSim software, the kinetic and thermodynamic parameters were evaluated for each system. The electrochemical behaviour is strongly directed by the nature of the arylidene substituents bound to the central heterocycle. The electrochemical investigation and solvent dependent semiempirical modeling using the PM3 hamiltonian in the frame of AMPAC program package allowed a rationalisation of experimental data regarding the electrochemical reduction and the reactivity of the intermediate species involved.      

An analysis of SCF and geometry convergence for diatomic molecules

A geometry and SCF convergence study of Hartree-Fock calculations using the 6-31G* basis set is carried out on the set of all possible diatomic molecules formed from atoms with Z≤36. The utility of Hartree-Fock calculations using the smaller STO-3G basis set to improve the convergence behavior is demonstrated.      

Synthesis of fluorescent long-chain thiols/disulfides as building-blocks for self-assembled monolayers preparation

New symmetrical disulfides together with the corresponding thiols bearing fluorescent end-groups have been synthesized as building-blocks for self-assembled monolayers (SAMs). The synthesis has been accomplished starting from aromatic nitrogen heterocycles in three steps. The conversion of the tosylated intermediate into the final disulfide is accomplished by use of sodium hydrogen sulfide (NaSH). Both products (thiols and disulfides) were isolated and characterized.      

Use of multivariate statistical techniques to optimize the separation of isoflavones by liquid chromatography

The aim of this paper is to optimize and validate a high performance liquid chromatography (HPLC) method for separation and quantification of five isoflavones. A statistical central composite design was used to separate all peaks. These multivariate procedures were efficient in determining the optimal separation condition using resolution, capacity factor, asymmetry and number of theoretical plates.      

Voltammetric determination of some alkaloids and other compounds in pharmaceuticals and urine using an electrochemically activated glassy carbon electrode

Electrochemical behaviour of some alkaloids, namely: caffeine, aminophylline, theophylline, codeine phosphate and papaverine hydrochloride, that are in solution in various combinations or in the presence of other compounds contained in pharmaceuticals or in real samples (urine) was investigated using cyclic voltammetry (CV), square-wave voltammetry (SWV) and differential pulse voltammetry (DPV) on electrochemically activated glassy carbon electrode.      

Colour change of co-doped yttrium aluminium borate crystals under illumination with different white light sources

A colour change of doped YAB crystals and microcrystalline powders takes place upon illumination with different white light sources. This paper presents extensive experimental data on the new materials Ho,Nd:YAB; Ho,Cr:YAB, Nd,Cr:YAB and Ho,Nd,Cr:YAB, resulting in a chart providing the observed crystal colours and chromaticity differences of the materials under illumination with seven different types of white light sources. The microcrystalline powders could be used as coatings in order to produce a special colour changing effect. Furthermore, the colour table presented enables the observer to discriminate the investigated light sources at one glance.      

Optimization study of the catalytic activity of DNAzymes based on telomeric G-quadruplexes

Optimization studies of the procedure for peroxidase activity measurements with DNAzymes based on telomeric sequences and colorimetric indicator reactions are reported. Effect of metal cation, nature and concentration of surfactant, as well as thermal treatment of G-quadruplex sample are investigated. Nature of metal cation exhibited modest influence on the system performance. Great improvement of enzymatic activity of the telomeric quadruplexes in the presence of Brij 58 surfactant was observed. Further improvement of catalytic activity of the system based on human telomeric sequence was attained by applying a thermal treatment (heating/rapid cooling) procedure to prepare G-quadruplex/hemin complexes.      

Mathematical approach to investigation of synthesis processes at high temperatures

In our work, we present a method for estimation of the diffusion and reaction rates of synthesis at high temperatures using limited information from laboratory experiments, such as synthesis time and dimensions of reactants. Synthesis by sol-gel and solid-state reactions is considered. The inverse modeling problem is solved for one- and two-dimensional models. Explicit formulas for the diffusion coefficient and reaction rate as functions of temperature are obtained. The activation energies are calculated, and the lower bounds of diffusion and reaction rates are estimated, thus obtaining conditions for occurrence of synthesis.      

The computational modelling of the kinetics of ascorbic acid palmitate hydrolysis by lipase considering diffusion

This paper presents mathematical and computational modelling of kinetics of a bioelectroanalytical system based on the interfacial action of hydrolytic enzyme. A system of non-linear differential equations with diffusion is used to describe the kinetics of Termomyces lanuginosa lipase (TLL) catalyzed hydrolysis of L-ascorbic acid palmitate (AAP). The system was solved numerically, and the kinetic prameters of AAP hydrolysis by the enzyme were determined. The experimental and modelling results show linear dependence of the rate of AAP hydrolysis on the TLL concentration. Complex dependence of the initial rate of bioelectrocatalytic current increase on the thickness of total diffusion layer (hydrodynamic diffusion layer plus thickness of dialysis membrane on the electrode surface) is also demonstrated and explained.      

Synthesis of 1-aryl-1-phenylpropenes using an alkylation-rearrangement-methylation-isomerization one-pot reaction sequence

(Z/E)-1-(2-Methoxyaryl)-1-phenylpropenes have been prepared in good yields by heating a mixture of a phenolic substrate, cinnamyl chloride, tetramethylammonium chloride and K₂CO3 in polyethyleneglycol at 180°C. The one-pot synthesis proceeds through four discrete reaction steps: alkylation of the phenol with cinnamyl chloride, Claisen rearrangement, O-methylation and double-bond migration. The configuration of one crystalline product was determined using a single-crystal X-ray diffraction analysis. The thermodynamic and structural features of the products were evaluated using computational chemistry techniques.