Development in Synthesis,Electrochemistry, LB Moieties of Phenothiazine Based Units

A convenient and higher yielding synthetic route to N‐alkyl‐bis(thiophene)phenothiazine derivatives is reported and their aggregation, electrochemical properties and polymerization are characterized. The key step in the synthesis of this group of compounds has been the Stille type coupling reaction between the N‐alkyldibromophenothiazine and tin derivatives of thiophene as the best way for preparation of conjugated N‐alkylphenothiazine derivatives. For this group of compounds we also present an electrochemical polymerization effect and widely adopted approach to prepare structurally ordered thin, electroconducting films by Langmuir–Blodgett technique.     

Influence of extra-framework cations on the adsorption properties of X-faujasite systems: microcalorimetry and molecular simulations

Isotherms and differential enthalpies of adsorption are obtained for nitrogen at ambient temperature on monovalent (Li(+), Na(+), K(+)) and divalent (Ca(2+), Ba(2+), Sr(2+), Mn(2+)) substituted X-faujasite systems by microcalorimetry measurements. These experimental data are compared with those obtained by combining grand canonical Monte Carlo simulations and newly derived force fields for describing the interactions between the extra-framework cations and the adsorbates obtained from a simple model based only on the intrinsic properties of the cations. It is the first time that such good qualitative agreement is reported between experiment and simulation for a series of both monovalent and divalent cations.     

Effect of degradation of montmorillonite by vibration grinding on the dTA curves in the range 20–1500°C

The effect of vibration grinding on the DTA curves of montmorillonite isolated from the most important locality of bentonite in the Slovak Republic (Jel?ovy potok, Middle Slovakia) was studied in the temperature range 20–1500°C. Interpretation is offered for 6 endothermic and 3 exothermic peaks. vibration grinding modified the course of dehydration of the mineral, suppresses the “dehydroxylation’ peak at 700°C, enables the crystallization of high-temperature quartz, cristobalite and cordierite at lower temperatures in comparison with unground natural montmorillonite. Vibration griding slows down the crystallization of mullite which—unlike quartz, cristobalite and cordierite—does not belong to high-temperature phases of Cheto-montmorillonite. The order in which these high-temperature phases occur is not influenced by vibration grinding.     

Melting of xenon monolayers - computer simulations

The results of Monte Carlo simulations of xenon monolayers deposited on graphite are presented. Systems of various surface densities and in a wide range of temperatures are investigated. The results are compared to the experimental data and to the previous results for nitrogen. The results of simulations are in good agreement with the experimental ones and confirm that melting in two dimensions is vacancy-driven. Typical real-space configurations of Xe atoms and calculated specific heat results are shown.     

Novel Method for HPLC Analysis of Triterpenic Acids Using 9-Anthryldiazomethane Derivatization and Fluorescence Detection

Triterpenic acids are a group of secondary plant metabolites which are part of the cuticular waxes covering fruits, leaves, and flowers. To date, quantitative analysis of these compounds has often been conducted using high-performance liquid chromatography coupled with spectrophotometric detection or mass spectrometry; however, these methods have some major drawbacks. This paper reports a new method of analysis implementing derivatization with 9-anthryldiazomethane and fluorescence detection. The method consists of the extraction of analytes from a matrix, purification with anion exchanging SPE columns, and an optional step of the alkaline hydrolysis of triterpenic acid esters. The paper also describes a fast and easy method for the synthesis of the derivatization agent. The detection limits of the method presented are approximately 100-fold lower than in a similar method using ultraviolet spectrophotometry as the mode of detection. The recovery and repeatability of the method are at satisfactory levels.     

Stationary Oberbeck–Boussinesq model of generalized Newtonian fluid governed by multivalued partial differential equations

A generalization of the Oberbeck–Boussinesq model consisting of a system of steady state multivalued partial differential equations for incompressible, generalized Newtonian of the p-power type, viscous flow coupled with the nonlinear heat equation is studied in a bounded domain. The existence of a weak solution is proved by combining the surjectivity method for operator inclusions and a fixed point technique.     

Retention Mechanism Studies of Selected Amino Acids and Vitamin B6 on HILIC Columns with Evaporative Light Scattering Detection

The goal of the study was to investigate separation mechanism of selected “essential” amino acids (leucine, isoleucine, threonine, tryptophan, proline, and glycine) and vitamin B6 in hydrophilic interaction liquid chromatography (HILIC) with the evaporative light scattering detection. Chromatographic measurements were made on three different HILIC columns: amide-silica (TSK-gel Amide-80), amino-silica (TSK-gel NH₂-100), and cross-linked diol (Luna HILIC). The retention behaviour of the analytes was investigated as a function of different binary hydro-organic mobile phases containing 10–90 % (v/v) acetonitrile. The compounds studied were separated under isocratic and gradient conditions. The best results of tested biologically active compounds separation were obtained on the TSK-gel NH₂-100 column. TSK-gel NH₂ column showed mixed HILIC–ion-exchange mechanism, the highest separation efficiency and better selectivity and resolution for tested analytes than the other studied column, especially at concentration of water in mobile phase lower than 30 % (v/v). Special attention was dedicated to the study of interactions among the stationary phase, mobile phase and the analytes.

     

Grand canonical monte carlo modeling of hydrogen adsorption on phosphorus-doped open carbon framework

Mechanism of hydrogen adsorption in high surface area carbon-based porous materials has been studied. Influence of chemical modification of the adsorbing surface has been simulated using grand canonical Monte Carlo method. Special attention has been paid to the competition between increasing the surface of open carbon frameworks and heterogeneous distribution of the energy of adsorption. Additionally, it has been shown that the molecular mass of atoms which substitute carbon atoms is an important factor determining the final hydrogen uptake.