scispace - formally typeset
Search or ask a question

Showing papers in "Central European Journal of Chemistry in 2005"


Journal ArticleDOI
TL;DR: A tetradentate N2O2 type Schiff base, synthesized from 1-phenyl-2,3-dimethyl-4-aminopyrazol-5-one(4-aminoantipyrine) and 3-salicylidene-acetylacetone, forms stable complexes with transition metal ions in ethanol as mentioned in this paper.
Abstract: A novel tetradentate N2O2 type Schiff base, synthesized from 1-phenyl-2,3-dimethyl-4-aminopyrazol-5-one(4-aminoantipyrine) and 3-salicylidene-acetylacetone, forms stable complexes with transition metal ions such as Cu II , Ni II , Co II and Zn II in ethanol. Microanalytical data, magnetic susceptibility, IR, UV-Vis.,1H-NMR, ESR and Mass spectral techniques were used to confirm the structures. Electronic absorption spectra of the complexes suggest a square-planar geometry around the central metal ion. These complexes show higher conductance values, supporting their electrolytic nature. The monomeric nature of the complexes was confirmed from their magnetic susceptibility values. Cyclic voltammogram of the copper(II) and nickel(II) complexes in DMSO solution at 300 K were recorded and the results are discussed. The X-band ESR spectra of the copper complex were recorded and the molecular orbital coefficient values were calculated from the spectra. The in vitro antimicrobial activities of the investigated compounds were tested against bacteria such as Klebsiella pneumoniae, Staphylococcus aureus, Bacillus subtilis and Escherichia coli and fungi like Aspergillus niger and Rhizoctonia bataicola. Most of the metal chelates show higher antimicrobial activity for the above microorganisms than that of the free ligand.

38 citations


Journal ArticleDOI
TL;DR: In this article, the edge length of a set of complex cubic perovskites having the general formula A� 2¯¯¯¯ 2+� BB′O6 was predicted using two methodologies: multiple linear regression and artificial neural neworks.
Abstract: The unit cell edge length, a, of a set of complex cubic perovskites having the general formula A 2 2+ BB′O6 is predicted using two methodologies: multiple linear regression and artificial neural neworks. The unit cell edge length is expressed as a function of six independent variables: the effective ionic radii of the constituents (A, B and B′), the electronegativities of B and B′, and the oxidation state of B. In this analysis, 147 perovskites of the A 2 2+ BB′O6 type, having the cubic structure and belonging to the Fm3m space group, are included. They are divided in two sets; 98 compounds are used in the calibration set and 49 are used in the test set. Both models give consistent results and could be successfully use to predict the lattice cell parameter of new members of this series.

38 citations


Journal ArticleDOI
TL;DR: In this paper, a two-step procedure for the synthesis of homogeneous and immobilized Ru-complexes containing Schiff bases as O,N-bidentate ligands is described.
Abstract: A two step procedure for the synthesis of a novel family of homogeneous and immobilized Ru-complexes containing Schiff bases as O,N-bidentate ligands is described. The new Ru-complexes have been structurally characterized by IR, Raman,1H-,13C-NMR spectroscopy. The Schiff bases were associated with a diversity of inorganic and organic ligands such as chloride, phosphane, arenes, various carbenes (alkylidene, vinylidene, indenylidene and allenylidene as well as N-heterocyclic carbenes) and cyclodienes. By choosing a selective range of substituents for the Schiff base, useful physical and chemical properties of the prepared Rucomplexes can be induced. This synthetic approach is promising in creating a valuable and diverse selection of Ru-complexes, valuable for future applications.

31 citations


Journal ArticleDOI
TL;DR: In this article, β-galactosidase from Penicillium canescens was immobilized on chitosan, sepharose-4B, foamable polyurethane and some other carriers.
Abstract: β-galactosidase from Penicillium canescens was immobilized on chitosan, sepharose-4B, foamable polyurethane and some other carriers. The highest yield of immobilization (up to 98%) was obtained by using chitosan as a carrier. The optimum pH and temperature were not significantly altered by immobilization. High stability of immobilized β-galactosidase during storage was demonstrated. Efficient lactose saccharification (over 90%) in whey was achieved by using immobilized β-galactosidase.

30 citations


Journal ArticleDOI
TL;DR: In this article, principal component analysis (PCA) was used for the mapping of geochemical data and a testing data matrix was prepared from the chemical and physical analyses of the coals altered by thermal and oxidation effects.
Abstract: Principal Component Analysis (PCA) was used for the mapping of geochemical data. A testing data matrix was prepared from the chemical and physical analyses of the coals altered by thermal and oxidation effects. PCA based on Singular Value Decomposition (SVD) of the standardized (centered and scaled by the standard deviation) data matrix revealed three principal components explaining 85.2 % of the variance. Combining the scatter and components weights plots with knowledge of the composition of tested samples, the coal samples were divided into seven groups depending on the degree of their oxidation and thermal alteration. The PCA findings were verified by other multivariate methods. The relationships among geochemical variables were successfully confirmed by Factor Analysis (FA). The data structure was also described by the Average Group dendrogram using Euclidean distance. The found sample clusters were not defined so clearly as in the case of PCA. It can be explained by the PCA filtration of the data noise.

28 citations


Journal ArticleDOI
TL;DR: In this paper, a preconcentration method of gold, palladium and copper based on the sorption of Au (III), Pd (II) and Cu(II) ions on a column packed with 3-(2-aminoethylamino)propyl bonded silica gel is described.
Abstract: A preconcentration method of gold, palladium and copper based on the sorption of Au (III), Pd (II) and Cu (II) ions on a column packed with 3-(2-aminoethylamino)propyl bonded silica gel is described. The modified silica gel was synthesized and characterized by FT-IR and C, H, N elemental analysis. At column preconcentration, the effects of parameters such as pH, volume, flow rate, matrix constituents of solutions and type of eluent on preconcentration of gold, palladium and copper were studied. The recoveries of Au (III), Pd (II) and Cu (II) were 98.93±0.51, 98.81±0.36 and 99.21±0.42 % at 95 % confidence level, respectively. The detection limits (δ) of the elements were 0.032, 0.016 and 0.012 μg ml−1, respectively. The preconcentration method was applied for determination of gold and palladium in certified reference material SARM 7B and copper in river and synthetic seawater by FAAS. Gold, palladium and copper were determined with relative error lower than 10 %.

28 citations


Journal ArticleDOI
TL;DR: The concept of inherent safety has been further developed in this article to guarantee process and operator safety, the sustained health of workers and the community, and the protection of the environment, and therefore, the approach to environmental and safety problems must be changed from reactive to proactive.
Abstract: A global population increase and an improved standard of living are generally expected. To meet these demands, an increased production of chemicals will be necessary while protecting human health and the environment. However, most current methods of chemical production are unsustainable. New designs must result in plants that assure process and operator safety, the sustained health of workers and the community, and the protection of the environment. Traditional safety precautions and process controls minimize risk but cannot guarantee the prevention of accidents followed by serious consequences. Therefore, the general approach to environmental and safety problems must be changed from reactive to proactive. One way is to further develop the concept of inherent safety.

24 citations


Journal ArticleDOI
TL;DR: In this paper, the authors deal with the application of several multivariate statistical methods (cluster analysis, principal components analysis, multiple regression on absolute principal components scores) for assessment of soil pollution by heavy metals.
Abstract: This study deals with the application of several multivariate statistical methods (cluster analysis, principal components analysis, multiple regression on absolute principal components scores) for assessment of soil pollution by heavy metals. The sampling was performed in a heavily polluted region and the chemometric analysis revealed four latent factors, which describe 84.5 % of the total variance of the system, responsible for the data structure. These factors, whose identity was proved also by cluster analysis, were conditionally named “ore specific”, “metal industrial”, “cement industrial”, and “steel production” factors. Further, the contribution of each identified factor to the total pollution of the soil by each metal pollutant in consideration was determined.

23 citations


Journal ArticleDOI
TL;DR: In this paper, the results confirmed that determination of element proportions bound to individual soil fractions is strongly dependent on the extracting agent and/or procedure applied within individual extracting schemes and the effect of the soil characteristics.
Abstract: Twelve soil samples differing in physicochemical properties and total element contents were extracted by three sequential extraction procedures to determine As, Cd, Pb, and Zn bound to individual soil fractions and are defined by individual operational procedures. In the case of arsenic, two additional sequential extraction schemes were designed entirely for fractionation of soil containing arsenic were tested. The results confirmed that determination of element proportions bound to individual soil fractions is strongly dependent on the extracting agent and/or procedure applied within individual extracting schemes. As expected, absolute values of the elements released among the individual extracting procedures are weakly comparable. More reliable results were determined for the more mobile soil elements i.e. cadmium and zinc, in the fractions characterizing the most mobile proportions of investigated elements where significant correlations with basic soil characteristics were observed. In contrast, ambiguous results were observed for As and Pb, for both the individual extraction procedures and the effect of the soil characteristics. Regardless of the studied element, the poorest results were determined for reducible and oxidizable soil fractions. The application of at least two independent procedures or modification of the extraction scheme according to element investigated and/or particular soil characteristics can also be helpful in definition of element pattern in soils in further research.

22 citations


Journal ArticleDOI
TL;DR: In this paper, 1-(4-Chlorophenyl)-3-(4methylbenzoyl)thiourea was synthesized and characterized by IR,1H and 13C NMR, mass spectroscopy and the elemental analysis.
Abstract: 1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea was synthesized and characterized by IR,1H and 13C NMR, mass spectroscopy and the elemental analysis. The crystal structure was confirmed from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a=12.038(3), b=6.330(6), c=18.912(5) A and β=100.32(3)°. There is a strong intramolecular hydrogen bond of the type N−H...O, with distance N1...O1=2.659(3) A. The structure is composed of dimers related by inversion centers. The dimers are formed by intermolecular interactions of the type N−H...S with N...S separation of 3.440(2) A. The mass fragmentation pattern has also been discussed.

19 citations


Journal ArticleDOI
TL;DR: In this article, the behavior of p-methoxybenzoyldiphenylphosphine oxide as a photoinitiator for the polymerization of diacrylate monomer, in the presence of 3% (w/w) tertiary amine (triethyl amine) as synergist additive, was studied.
Abstract: The behavior of p-methoxybenzoyldiphenylphosphine oxide, previously synthesized, as a photoinitiator for the polymerization of diacrylate monomer, in the presence of 3% (w/w) tertiary amine (triethyl amine) as synergist additive, was studied. The influence of temperature in the range 30–90°C at 3% (w/w) photoinitiator concentration and the influence of the photoinitiator concentration in the range 0.5–3.5% (w/w) at 30°C was investigated by differential scanning photocalorimetry (photo-DSC). In all experiments the photopolymerization was performed at constant light intensity (3 mW cm−2). The maximum conversion was obtained at temperature of 90°C at 3% (w/w) photoinitiator concentration and 3% (w/w) triethyl amine. The optimal concentration of photoinitiator to obtain maximum conversion was 3% (w/w), at 30°C. No thermal polymerization occurred at higher temperature.

Journal ArticleDOI
TL;DR: In this paper, the effects of substituted furo[3,2-b]pyrrole-5-carboxhydrazides with 5-arylfuran-2carboxaldehydes and 4-substituted 1,3-oxazol-5(4H)-ones were investigated.
Abstract: The reactions of substituted furo[3,2-b]pyrrole-5-carboxhydrazides 1 with 5-arylfuran-2-carboxaldehydes 2, 4,5-disubstituted furan-2-carboxaldehydes 3 and thiophene-2-carboxaldehyde 4 has been studied. The advantage of microwave irradiation on some of these reactions was reflected in the reduced reaction time and increased yields. Reactions of 1 with 4-substituted 1,3-oxazol-5(4H)-ones 11 led to diacylhydrazines 13 or to imidazole derivatives 14 depending on the temperature. 1,2,4-Triazole-3-thione 17 was synthesized by two-step reaction of 1 with phenylisothiocyanate and subsequent base-catalyzed cyclization of thiosemicarbazide 16. The effects of hydrazones 5–10 on inhibition of photosynthetic electron transport in spinach chloroplasts and chlorophyll content in the antialgal suspensions of Chlorella vulgaris were investigated.

Journal ArticleDOI
TL;DR: In this paper, an isatins (isatin, 5-methylisatin and 5-bromoisatin) to their corresponding anthranilic acids was performed efficiently with sodium N-chlorobenzenesulfonamide or chloramine-B (CAB) in alkaline medium at 35±0.1°C.
Abstract: Oxidation of isatins (isatin, 5-methylisatin, 5-bromoisatin and 5-nitroisatin) to their anthranilic acids was performed efficiently with sodium N-chlorobenzenesulfonamide or chloramine-B (CAB) in alkaline medium at 35±0.1°C. The reactions follow identical kinetics for all the isatins, being first-order dependence each in [CAB] o and [Isatin] o and inverse fractional-order on [NaOH]. Addition of halide ions and benzenesulfonamide, reduction product of CAB, do not significantly affect the rate. Variation of ionic strength of the medium had no effect on the rate, while the dielectric effect is negative. The solvent isotope effect was studied using D2O. Activation parameters for the overall reaction have been computed. The rates satisfactorily correlate with the Hammett σ relationship and the reaction constant ρ is −0.31 signifies that electron releasing groups accelerate the reaction while the electron withdrawing groups retard the rate. Values of ΔH≠ and ΔS≠ are linearly related and an isokinetic relationship is observed with β=376 K, indicating the reaction is controlled by enthalpy. The stoichiometry of the title reaction is found to be 1∶1. Oxidation products of isatins were identified as their corresponding anthranilic acids and the yields were found to be around 90 %. The observed results have been explained by a plausible mechanism and the related rate law deduced. This method offers several advantages including high yield of the products, short reaction times, easier isolation of products, and stable, cost effective and relatively non-toxic reagents, which make the reaction process simple and smooth.

Journal ArticleDOI
TL;DR: In this paper, three simple, accurate, and sensitive spectrophotometric methods (A, B and C) have been described for the indirect assay of diltiazem hydrochloride (DIL), either in pure form or in pharmaceutical formulations.
Abstract: Three simple, accurate, and sensitive spectrophotometric methods (A, B and C) have been described for the indirect assay of diltiazem hydrochloride (DIL.HCl), either in pure form or in pharmaceutical formulations. The first method (A) is based on the oxidation of DIL.HCl by N-bromosuccinimide (NBS) and determination of unconsumed NBS by measuring the decrease in absorbance of amaranth dye (AM) at a suitable λ max =521 nm. Other methods (B) and (C) involve the addition of excess cerric ammonium sulfate (CAS) and subsequent determination of the unconsumed oxidant by a decrease in the red color of chromotrope 2R (C2R) at a suitable λ max =528 nm or a decrease in the orange-pink color of rhodamine 6G (Rh6G) at λ max =525 nm, respectively. Regression analysis of Beer-Lambert plots showed good correlation in the concentration ranges 3.0–9.0, 3.5–7.0 and 3.5–6.3 μg ml−1 for methods A, B and C, respectively. The apparent molar absorptivity, Sandell's sensitivity, detection and quantification limits were calculated. The proposed methods have been applied successfully for the analysis of the drug in its pure form and its dosage form. No interference was observed from a common pharmaceutical adjuvant. Statistical comparison of the results with the reference method shows excellent agreement and indicates no significant difference in accuracy and precision.

Journal ArticleDOI
TL;DR: In this article, the extraction process of ternary ion-association complexes of molybdenum (VI) with some polyphenols (4-nitrocatechol, 2,3-dihydroxy naphthalene) and thiazolyl blue has been investigated by using an extraction-spectrophotometric method.
Abstract: The extraction process of ternary ion-association complexes of molybdenum (VI) with some polyphenols (4-nitrocatechol, 2,3-dihydroxy naphthalene) and thiazolyl blue has been investigated by using an extraction-spectrophotometric method. The optimum conditions for their quantitative preparation in aqueous medium and subsequent extraction into an organic solvent have been found. The extraction, distribution and association constants, and the recovery factors have been calculated. The composition of the complexes has been determined. A precise, sensitive and simple extraction-spectrophotometric method for determination of molybdenum in products from ferrous metallurgy has been developed.

Journal ArticleDOI
TL;DR: In this paper, an on-line coupled capillary isotachophoresis-capillary zone electrophoresis (CITP-CZE) method was developed for the analysis of chlorate, chlorite and bromate in water.
Abstract: Some oxyhalides can be found in drinking waters as inorganic disinfection byproducts. An on-line coupled capillary isotachophoresis—capillary zone electrophoresis (CITP-CZE) method was developed for the analysis of chlorate, chlorite and bromate in water. The optimized CITP-CZE electrolyte system consisted of the following: 10 mM—HCl+20 mM—β-Alanine (leading electrolyte), 5 mM—succinic acid (terminating electrolyte), and 10 mM—succinic acid +5 mM—β-Alanine +0.1% HPMC (carrier electrolyte). A clear separation of oxyhalides from other components of drinking water was achieved within 25 min. Method characteristics, i.e., linearity (0–200 ng/mL), accuracy (88–110%), intra-assay (3–5%), quantification limit (5–15 ng/mL), and detection limit (2–5 ng/mL), were determined. Minimum labor requirements, sufficient sensitivity and low running cost are important attributes of this method. It was found that the developed method is useful for the routine analysis of oxyhalides in water.

Journal ArticleDOI
TL;DR: In this article, the inclusion of vanadocene dichloride (VDC) and 1,1′-dimethylamine (MeVDC), into cyclodextrines (α-CD, β-CD and γ-CD) was studied by EPR spectroscopy.
Abstract: The inclusion of vanadocene dichloride (VDC) and 1,1′-dimethyl vanadocene dichloride (MeVDC) into cyclodextrines (α-CD, β-CD and γ-CD) was studied by EPR spectroscopy. It was found that VDC and MeVDC with β-CD and γ-CD form true inclusion compounds, but with α-CD, VDC and MeVDC gave only fine dispersion mixtures. The inclusion was validated by anisotropic EPR spectra of solid samples. In addition, the antimicrobial was validated by anisotropic EPR spectra of solid samples. In addition, the antimicrobial behavior (against E. coli) of each of the complexes was determined. It was established that not only did VDC and MeVDC cause elongation of E. coli, but also the new vanadocene inclusion complexes were effective in this regard.

Journal ArticleDOI
TL;DR: In this paper, the transformation of β-carboline derivatives into optically active entities was studied and the de and ee values of the resulting compounds were detected, and the results showed that β-caroline derivatives are optically inert.
Abstract: Transformation of β-carboline derivatives into optically active entities were studied and the de and ee values of the resulted compounds were detected.

Journal ArticleDOI
TL;DR: In this paper, Ab Initio studies of the electric dipole polarizability of the linear polyacene series benzene through nonacene were performed at different levels of theory.
Abstract: We report Ab Initio studies of the electric dipole polarizability of the linear polyacene series benzene through nonacene. A number of Ab Initio studies were done at different levels of theory for benzene, with all remaining Ab Initio calculations being at the B3LYP/6-311G(2d, 1p)//B3LYP/6-311+G(2d, 1p) level of theory. We find that the NN tensor component shows a constant increment of 20 atomic units per ring. AM1 and QSAR-quality empirical calculations show poor absolute agreement with the Ab Initio results but given excellent statistical correlation coefficients with the Ab Initio values. This implies that the results of such cheaper calculations can be suitably scaled for predictive purposes.

Journal ArticleDOI
TL;DR: In this paper, the crystal structure of a 3-, 8-connected cubic structural pattern with binary stoichiometry A3B8 was described, and the pattern lies in space group Pm3m, number 221.
Abstract: This paper describes the crystal structure of a novel, hypothetical 3-,8-connected cubic structural pattern with the binary stoichiometry A3B8. The novel pattern lies in space group Pm3m, number 221. It possesses the Wells point symbol (4468812)3(43)8 and has the Wellsean Schlafli index (6, 4.3636). It is derived from the Andreini space filling arrangement of octahedra and cuboctahedra by replacing the areas where there are face-sharing of the polyhedra with the inscription of 3-connected, trigonal planar vertices, and retaining the points where the polyhedra share vertices in cube coordination. The structure-type could be representative of a binary metal oxide in which the metal cation attains a relatively high oxidation state of 51/3+. Possible metal oxide models for the structure-type include M3O8 (where M is a Group 6 or 7 elements).

Journal ArticleDOI
TL;DR: In this paper, microwave irradiation was used for free-radical copolymerisation of comonomer pairs with weak donor-acceptor interactions, and no acceleration in rate or change in degree of alternation attributable to changes in propagation were observed.
Abstract: The mechanistic rationalisation of specific ‘microwave effects’ previously reported in a range of chemical reactions suggests that they may be observable in the freeradical copolymerisation of comonomer pairs capable of forming donor-acceptor complexes. Polymerisation under microwave irradiation is carried out for several comonomer pairs with weak donor-acceptor interactions, and no acceleration in rate or change in degree of alternation attributable to changes in propagation are observed. An increase in reaction rate of 150–200 % is observed for all systems, with trends in molecular weight suggesting this was due to an increase in radical flux. This is consistent with earlier reports of rate enhancement for free-radical polymerisations using the initiator 2,2′-azobis-isobutyronitrile, and it is proposed that microwave irradiation may reduce the amount of geminate radical recombination.

Journal ArticleDOI
TL;DR: In this article, a QSPR study for acidities of thirteen N-methoxy-polynitroaniline derivatives was presented for meta and para substituents, and Hammett σ values for ortho-substituents were obtained by multiplying para values with 0.65.
Abstract: A QSPR study is presented for acidities of thirteen N-methoxy-polynitroaniline derivatives. Hammett σ values are known for meta and para substituents, and in the present study values are introduced for ortho-substituents in these N-methoxy-polynitroaniline derivatives. Hammett σ values for ortho-substituents in these N-methoxy-polynitroaniline derivatives were obtained by multiplying para values with 0.65.

Journal ArticleDOI
TL;DR: In this paper, the authors studied the kinetics of five catecholamines viz., dopamine (A), L-dopa (B), methyldopa (C), epinephrine (D), and norepinephrine (E) by sodium N-chloro-p-toluenesulfonamide or chloramine-T (CAT) in presence of HClO4.
Abstract: The kinetics of the oxidation of five catecholamines viz., dopamine (A), L-dopa (B), methyldopa (C), epinephrine (D) and norepinephrine (E) by sodium N-chloro-p-toluenesulfonamide or chloramine-T (CAT) in presence of HClO4 was studied at 30±0.1 °C. The five reactions followed identical kinetics with a first-order dependence on [CAT] o , fractional-order in [substrate] o , and inverse fractional-order in [H+]. Under comparable experimental conditions, the rate of oxidation of catecholamines increases in the order D>E>A>B>C. The variation of ionic strength of the medium and the addition of p-toluenesulfonamide or halide ions had no significant effect on the reaction rate. The rate increased with decreasing dielectric constant of the medium. The solvent isotope effect was studied using D2O. A Michaelis-Menten type mechanism has been suggested to explain the results. Equilibrium and decomposition constants for CAT-catecholamine complexes have been evaluated. CH3C6H4SO2NHCl of the oxidant has been postulated as the reactive oxidizing species and oxidation products were identified. An isokinetic relationship is observed with β=361 K, indicating that enthalpy factors control the reaction rate. The mechanism proposed and the derived rate law are consistent with the observed kinetics.

Journal ArticleDOI
TL;DR: In this article, the rate-limiting step of the overall catalytic process was derived from the calculated values of the Gibbs energy of activation, the enthalpy of activation ΔG*, and the entropy of activation δS*, under selected experimental conditions.
Abstract: Catalytic activity of catalase (CAT) immobilized on a modified silicate matrix to mediate decomposition of meta-chloroperoxibenzoic acid (3-CPBA) in acetonitrile has been investigated by means of quantitative UV-spectrophotometry. Under the selected experimental conditions, the kinetic parameters: the apparent Michaelis constat (K M ), the apparent maximum rate of enzymatic reaction (V max app ), the first order specific rate constants (k sp ), the energy of activation (E a ) and the pre-exponential factor of the Arrhenius equation (Z0) were calculated. Conclusions regarding the rate-limiting step of the overall catalytic process were drawn from the calculated values of the Gibbs energy of activation ΔG*, the enthalpy of activation ΔH*, and the entropy of activation ΔS*.

Journal ArticleDOI
TL;DR: The results of a study on the optimization of the determination of total arsenic and its species using the absorption atomic spectrometry method combined with hydride generation and in-situ concentration on the inner walls of the graphite tube were presented in this article.
Abstract: This paper presents the results of a study on the optimization of the determination of total arsenic and its species using the absorption atomic spectrometry method combined with hydride generation and in-situ concentration on the inner walls of the graphite tube. To ensure a maximum efficiency of the in-situ analyte concentration on the graphite tube walls, a palladium modifier subjected to preliminary thermal reduction was used. The limits of detection (3σ) were 0.019 ng/mL for total As and 0.031 ng/mL for As(III) at the preliminary analyte concentration for 60s. The optimised procedure of the analyte concentration on the inner walls of the atomiser (graphite tube) was applied for determinations of arsenic in samples of ground water. The content of arsenic in the samples studied varied from 0.21 ng/mL to 0.80 ng/mL for As(III), and from 0.19 ng/mL to 1.24 ng/mL for As(V).

Journal ArticleDOI
TL;DR: It is proved that this automorphism group of the Euclidean graph of the C80 fullerence with connectivity and geometry of Ih symmetry point group has order 120 and is isomorphic to Ih≊Z2×A5, where Z2 is, a cyclic group of order 2 and A5 is the alternating group on five symbols.
Abstract: In this paper we, present some MATLAB and GAP programs and use them to find the automorphism group of the Euclidean graph of the C80 fullerence with connectivity and geometry of I h symmetry point group. It is proved that this group has order 120 and is isomorphic to I h ≊Z2×A5, where Z2 is, a cyclic group of order 2 and A5 is the alternating group on five symbols.

Journal ArticleDOI
TL;DR: In this paper, a thermal degradation mechanism was proposed, taking into consideration the azobenzenic unit as the weakest link in the polymer chain and thus, the starting point of the thermal degradation process.
Abstract: The main objective of this paper is to study the thermal stability of some aromatic copolyethers containing a propylenic spacer. Some of the investigated copolyethers displayed a liquid crystalline (LC) behavior, with the presence of the mesogenic groups in the main chain, inducing high values of the thermal transition temperatures. As a consequence, a thermal stability study was necessary to establish the maximum temperature value for the LC behavior characterization. A thermal degradation mechanism is proposed, taking into consideration the azobenzenic unit as the weakest link in the polymer chain and thus, the starting point of the thermal degradation process. The degradation mechanisms were correlated with the chemical structure and the polarity and conformation of the chains. Conformational analysis was performed using molecular simulations. Freeman-Caroll and Coats-Redfern methods were used to calculate some kinetic characteristics.

Journal ArticleDOI
TL;DR: In this article, the role of catalyst components and its effect on the activity and selectivity of the PdCl2/Fe/I2/Py catalytic system (Py-pyridine), reported to be highly active in the reaction of nitrobenzene carbonylation to ethyl phenyl carbamate was studied.
Abstract: The PdCl2/Fe/I2/Py catalytic system (Py-pyridine), reported to be highly active in the reaction of nitrobenzene carbonylation to ethyl phenylcarbamate was studied. The present paper describes the role of catalyst components and its effect on the activity and selectivity of the catalyst. The increase in the amount of PdCl2 in the system while retaining a constant level of the other catalyst components, results in the increase of both carbamate and aniline yields. The increase in the amount of iron while retaining the other components constant, initially causes an increase in the carbamate yield; however, at Fe: Pd ratios higher than 36, the carbamate yield remains constant. The change in the amount of iron has no effect on the amount of aniline formed in the system. An increase in the amount of iodine in the system while retaining the other components constant, results in a decrease in carbamate yield and a considerable increase in the aniline yield of the reaction products.

Journal ArticleDOI
TL;DR: In this paper, the authors examined the effect of discharged O2 emissions in various flowing nitrogen afterglows and derived a rate constant estimate for the energy transfer reaction, which can be used to account for the above emissions intensity enhancements.
Abstract: Intensity enhancement due to the addition of discharged O2 is examined for background N2 (B Π g → A3Σ + ) emissions in various flowing nitrogen afterglows. Possible implications are reported for the experimentally determined rate constants for the reactions {N2 (A3Σ + , υ) + O(3P)}, and {O2 (a1Δg) + N(4S)}, as a result of the present study. The present, as well as previously reported, N2 (B Π g → A3Σ + ) emissions intensity enhancements suggest complementary conclusions. Previous differences in experimental results reported for the {O2 (a1Δg) + N(4S)} reaction [based on studies observing the decay of either O2 (a1Δg) molecules or N(4S) atoms alone] are reconciled by a unifying additional interpretation. This interpretation leads to a rate constant estimate for the energy transfer reaction, {O2 (a1Δg) + N(2(A3Σ + )}, deduced to account for the above N2 (B3Π g → A3Σ + ) emissions intensity enhancements.

Journal ArticleDOI
TL;DR: In this article, 4-substituted benzyl esters of 16-mercaptohexadecanoic acid were synthesized by developing a practicable synthetic procedure and using readily available staring materials.
Abstract: New 4-substituted benzyl esters of 16-mercaptohexadecanoic acid were prepared by developing a practicable synthetic procedure and using readily available staring materials. The compounds synthesized have been characterized by NMR, MS, IR spectra and elemental analysis. The mercapto derivatives are precursors for the formation of self-assembled monolayers on metal substrates.