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FFH scientific research papers database
FFH database search (1991-2022):
1361.
Perić, M; Jerosimić, S; Ranković, R; Krmar, M; Radić-Perić, J
An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian Journal Article
In: Chemical Physics, vol. 330, no. 1-2, pp. 60-72, 2006.
@article{Perić200660,
title = {An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian},
author = {M Perić and S Jerosimić and R Ranković and M Krmar and J Radić-Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33750492948&doi=10.1016%2fj.chemphys.2006.07.035&partnerID=40&md5=a99a9e68128c6476b4f407a01406c4eb},
doi = {10.1016/j.chemphys.2006.07.035},
year = {2006},
date = {2006-01-01},
journal = {Chemical Physics},
volume = {330},
number = {1-2},
pages = {60-72},
abstract = {With the present paper we begin an extensive study of the Renner-Teller effect in linear and quasilinear tetra-atomic molecules. Although this topic has been the subject of considerable work carried out by the present authors and their colleagues, there are a number of critical points that have not been discussed profoundly enough, so that we feel it necessary to elucidate them in more detail. This particularly concerns the relationship between the Renner-Teller effect in tetra-atomic molecules and related coupling mechanisms appearing in triatomics, as well as avoided crossings, conical intersections and Jahn-Teller effect in nonlinear high-symmetry species. In the present paper we introduce various types of coordinates and derive general forms of the model bending Hamiltonian for molecules in Π, Δ, and Φ electronic states. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
With the present paper we begin an extensive study of the Renner-Teller effect in linear and quasilinear tetra-atomic molecules. Although this topic has been the subject of considerable work carried out by the present authors and their colleagues, there are a number of critical points that have not been discussed profoundly enough, so that we feel it necessary to elucidate them in more detail. This particularly concerns the relationship between the Renner-Teller effect in tetra-atomic molecules and related coupling mechanisms appearing in triatomics, as well as avoided crossings, conical intersections and Jahn-Teller effect in nonlinear high-symmetry species. In the present paper we introduce various types of coordinates and derive general forms of the model bending Hamiltonian for molecules in Π, Δ, and Φ electronic states. © 2006 Elsevier B.V. All rights reserved.
1362.
Perić, M
An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. II. Study of the crossing of potential surfaces Journal Article
In: Chemical Physics, vol. 330, no. 1-2, pp. 73-81, 2006.
@article{Perić200673,
title = {An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. II. Study of the crossing of potential surfaces},
author = {M Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33750491942&doi=10.1016%2fj.chemphys.2006.07.036&partnerID=40&md5=d9e0d827b0f1883c43ee228e631d2091},
doi = {10.1016/j.chemphys.2006.07.036},
year = {2006},
date = {2006-01-01},
journal = {Chemical Physics},
volume = {330},
number = {1-2},
pages = {73-81},
abstract = {In the present paper, we show that the Renner-Teller effect in tetra-atomic molecules is always accompanied by (avoided) crossings of potential surfaces corresponding to the electronic states that correlate with a spatially degenerate species of linear molecule. We restrict ourselves to Π electronic states and the lowest-order (harmonic) approximation. It is demonstrated that the simple model we employ, implicitly involves a diabatic transformation of the electronic states, which makes possible to remove the difficulties caused by the breakdown of the Born-Oppenheimer approximation at nonlinear as well as linear nuclear arrangements. The reliability of the model is illustrated on example of the X 2 Π electronic state of the HCCS radical. Numerical computations are carried out employing the data obtained in extensive ab initio calculations. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the present paper, we show that the Renner-Teller effect in tetra-atomic molecules is always accompanied by (avoided) crossings of potential surfaces corresponding to the electronic states that correlate with a spatially degenerate species of linear molecule. We restrict ourselves to Π electronic states and the lowest-order (harmonic) approximation. It is demonstrated that the simple model we employ, implicitly involves a diabatic transformation of the electronic states, which makes possible to remove the difficulties caused by the breakdown of the Born-Oppenheimer approximation at nonlinear as well as linear nuclear arrangements. The reliability of the model is illustrated on example of the X 2 Π electronic state of the HCCS radical. Numerical computations are carried out employing the data obtained in extensive ab initio calculations. © 2006 Elsevier B.V. All rights reserved.
1363.
Maksimović, V; Mojović, M; Vučinić, Z
Monosaccharide-H 2 O 2 reactions as a source of glycolate and their stimulation by hydroxyl radicals Journal Article
In: Carbohydrate Research, vol. 341, no. 14, pp. 2360-2369, 2006.
@article{Maksimović20062360,
title = {Monosaccharide-H 2 O 2 reactions as a source of glycolate and their stimulation by hydroxyl radicals},
author = {V Maksimović and M Mojović and Z Vučinić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33747801093&doi=10.1016%2fj.carres.2006.06.023&partnerID=40&md5=f26dbe11f9acbf8a464e76e446e12a98},
doi = {10.1016/j.carres.2006.06.023},
year = {2006},
date = {2006-01-01},
journal = {Carbohydrate Research},
volume = {341},
number = {14},
pages = {2360-2369},
abstract = {An analysis of the H 2 O 2 -induced breakdown and transformation of different keto-monosaccharides at physiological concentrations reveals that glycolate and other short-chained carbohydrates and organic acids are produced. Depletion of monosaccharides and glycolate synthesis occurs at increased rates as the length of the carbohydrate chain is decreased, and is significantly increased in the presence of trace amounts of Fe 2+ ions (10 μM). Rates of monosaccharide depletion (initial concentration of 3 mM) observed were up to 1.55 mmol h -1 in the case of fructose, and 2.59 mmol h -1 in the case of dihydroxyacetone, depending upon pH, H 2 O 2 concentration, temperature and the presence or absence of catalytic amounts of Fe 2+ . Glycolate was produced by dihydroxyacetone cleavage at rates up to 0.45 mmol h -1 in the absence, and up to 1.88 mmol h -1 in the presence of Fe 2+ ions (pH 8). Besides glycolate, other sugars (ribose, glyceraldehyde, glucose), glucitol (sorbitol) and organic acids (formic and 2-oxogluconic acid) were produced in such H 2 O 2 -induced reactions with fructose or dihydroxyacetone. EPR measurements demonstrated the participation of the radical dot OH radical, especially at higher pH. Presence of metal ions at higher pH values, resulting in increased glycolate synthesis, was accompanied by enhanced hydroxyl radical generation. Observed changes in intensity of DEPMPO-OH signals recorded from dihydroxyacetone and fructose reactions demonstrate a strong correlation with changes in glycolate yield, suggesting that radical dot OH radical formation enhances glycolate synthesis. The results presented suggest that different mechanisms are responsible for the cleavage or other reactions (isomerisation, auto- or free-radical-mediated oxidation) of keto-monosaccharides depending of experimental conditions. © 2006 Elsevier Ltd. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
An analysis of the H 2 O 2 -induced breakdown and transformation of different keto-monosaccharides at physiological concentrations reveals that glycolate and other short-chained carbohydrates and organic acids are produced. Depletion of monosaccharides and glycolate synthesis occurs at increased rates as the length of the carbohydrate chain is decreased, and is significantly increased in the presence of trace amounts of Fe 2+ ions (10 μM). Rates of monosaccharide depletion (initial concentration of 3 mM) observed were up to 1.55 mmol h -1 in the case of fructose, and 2.59 mmol h -1 in the case of dihydroxyacetone, depending upon pH, H 2 O 2 concentration, temperature and the presence or absence of catalytic amounts of Fe 2+ . Glycolate was produced by dihydroxyacetone cleavage at rates up to 0.45 mmol h -1 in the absence, and up to 1.88 mmol h -1 in the presence of Fe 2+ ions (pH 8). Besides glycolate, other sugars (ribose, glyceraldehyde, glucose), glucitol (sorbitol) and organic acids (formic and 2-oxogluconic acid) were produced in such H 2 O 2 -induced reactions with fructose or dihydroxyacetone. EPR measurements demonstrated the participation of the radical dot OH radical, especially at higher pH. Presence of metal ions at higher pH values, resulting in increased glycolate synthesis, was accompanied by enhanced hydroxyl radical generation. Observed changes in intensity of DEPMPO-OH signals recorded from dihydroxyacetone and fructose reactions demonstrate a strong correlation with changes in glycolate yield, suggesting that radical dot OH radical formation enhances glycolate synthesis. The results presented suggest that different mechanisms are responsible for the cleavage or other reactions (isomerisation, auto- or free-radical-mediated oxidation) of keto-monosaccharides depending of experimental conditions. © 2006 Elsevier Ltd. All rights reserved.
1364.
Adnadjevic, B K; Jovanovic, J D
In: Adsorption Science and Technology, vol. 24, no. 8, pp. 645-655, 2006.
@article{Adnadjevic2006645,
title = {Influence of the primary structural parameters of a precipitated SiO2 on the specific parameters of the adsorption isotherms of cholesterol dissolved in toluene},
author = {B K Adnadjevic and J D Jovanovic},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-34547811391&doi=10.1260%2f026361706781355064&partnerID=40&md5=5f7bf79b0e86c6eaaf8c45a4e506511e},
doi = {10.1260/026361706781355064},
year = {2006},
date = {2006-01-01},
journal = {Adsorption Science and Technology},
volume = {24},
number = {8},
pages = {645-655},
abstract = {The influence of the primary structural parameters of the precipitated SiO2 [globular diameter (d2), coordination number (CN) and coalescence coefficient (CC)] on the specific parameters associated with the shapes of the adsorption isotherms [range of linearity (P), adsorption sensitivity (IS) and equilibrium adsorption capacity (amax)], the constants of the Freundlich isotherm (k and z) and the energy density distribution function parameters of the adsorption centres (β, m) was investigated. It was found that increasing the coordination number and coalescence coefficient values led to a decrease in the amax and z values, as well as in the fraction of dominant adsorption centres, while the β value and the specific amount of cholesterol adsorbed on the remained centres (a2) increased. The changes in the range of linearity (P) of the adsorption isotherms were in agreement with the parameter values of the density distribution function, while the changes in adsorption sensitivity and the Freundlich constant k correlated with the changes in the specific amount of cholesterol adsorbed at the dominant adsorption centres. The optimal values for cholesterol adsorption and of the primary structural parameters of the adsorbents based on the precipitated SiO2 were defined.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The influence of the primary structural parameters of the precipitated SiO2 [globular diameter (d2), coordination number (CN) and coalescence coefficient (CC)] on the specific parameters associated with the shapes of the adsorption isotherms [range of linearity (P), adsorption sensitivity (IS) and equilibrium adsorption capacity (amax)], the constants of the Freundlich isotherm (k and z) and the energy density distribution function parameters of the adsorption centres (β, m) was investigated. It was found that increasing the coordination number and coalescence coefficient values led to a decrease in the amax and z values, as well as in the fraction of dominant adsorption centres, while the β value and the specific amount of cholesterol adsorbed on the remained centres (a2) increased. The changes in the range of linearity (P) of the adsorption isotherms were in agreement with the parameter values of the density distribution function, while the changes in adsorption sensitivity and the Freundlich constant k correlated with the changes in the specific amount of cholesterol adsorbed at the dominant adsorption centres. The optimal values for cholesterol adsorption and of the primary structural parameters of the adsorbents based on the precipitated SiO2 were defined.
1365.
Kaninski, M P Marčeta; Stojić, D. Lj.; Šaponjić, D P; Potkonjak, N I; Miljanić, S S
Comparison of different electrode materials-Energy requirements in the electrolytic hydrogen evolution process Journal Article
In: Journal of Power Sources, vol. 157, no. 2, pp. 758-764, 2006.
@article{MarčetaKaninski2006758,
title = {Comparison of different electrode materials-Energy requirements in the electrolytic hydrogen evolution process},
author = {M P Marčeta Kaninski and D.Lj. Stojić and D P Šaponjić and N I Potkonjak and S S Miljanić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33744535388&doi=10.1016%2fj.jpowsour.2005.10.105&partnerID=40&md5=b29b72581c8bc054153d8d5f50307af9},
doi = {10.1016/j.jpowsour.2005.10.105},
year = {2006},
date = {2006-01-01},
journal = {Journal of Power Sources},
volume = {157},
number = {2},
pages = {758-764},
abstract = {Hydrogen is one of the most widely produced commodities in the world economy. The basic technologies for producing hydrogen via the electrolysis of water have long been known. However, there are disadvantages when using this process. Two-thirds of the operation costs of the electrolyzers are electricity costs. The challenge, addressed by numerous companies and researchers in the last few years, is the cost cutting by increasing efficiency of the process. The aim of this work was the attempt to optimize the electrolytic hydrogen production from alkaline solution, through the variation of cathode materials and use of ionic activators. The part of our results shows the better electrocatalytic activity of intermetallic phases and the energy consumption is decreased when compared with the industrial data (4.5-5 kWh m -3 H 2 ). The role of ionic activator used is also very significant. These results give the opportunity for further research of cumulative effect of the intermetallic electrodes and ionic activators on industrial level. © 2005 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hydrogen is one of the most widely produced commodities in the world economy. The basic technologies for producing hydrogen via the electrolysis of water have long been known. However, there are disadvantages when using this process. Two-thirds of the operation costs of the electrolyzers are electricity costs. The challenge, addressed by numerous companies and researchers in the last few years, is the cost cutting by increasing efficiency of the process. The aim of this work was the attempt to optimize the electrolytic hydrogen production from alkaline solution, through the variation of cathode materials and use of ionic activators. The part of our results shows the better electrocatalytic activity of intermetallic phases and the energy consumption is decreased when compared with the industrial data (4.5-5 kWh m -3 H 2 ). The role of ionic activator used is also very significant. These results give the opportunity for further research of cumulative effect of the intermetallic electrodes and ionic activators on industrial level. © 2005 Elsevier B.V. All rights reserved.
1366.
Stanisavljev, D R; Djordjević, A R; Likar-Smiljanić, V D
Microwaves and coherence in the Bray-Liebhafsky oscillatory reaction Journal Article
In: Chemical Physics Letters, vol. 423, no. 1-3, pp. 59-62, 2006.
@article{Stanisavljev200659,
title = {Microwaves and coherence in the Bray-Liebhafsky oscillatory reaction},
author = {D R Stanisavljev and A R Djordjević and V D Likar-Smiljanić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33646195205&doi=10.1016%2fj.cplett.2006.03.024&partnerID=40&md5=00e6c577da69fb5e85f0657dedc000b8},
doi = {10.1016/j.cplett.2006.03.024},
year = {2006},
date = {2006-01-01},
journal = {Chemical Physics Letters},
volume = {423},
number = {1-3},
pages = {59-62},
abstract = {Simultaneous application of microwave (MW) heating and mechanical stirring to the Bray-Liebhafsky reaction supports the 'nucleation' theory of nonequilibrium transitions. The opposite effects of microwaves and stirring on the oscillatory reaction dynamics stress the predominant effect of microwaves on the coherence mechanism, preventing in-phase macroscopic oscillations. The obtained results can contribute to the understanding of the mechanism of nonequilibrium transitions on a more general level. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Simultaneous application of microwave (MW) heating and mechanical stirring to the Bray-Liebhafsky reaction supports the 'nucleation' theory of nonequilibrium transitions. The opposite effects of microwaves and stirring on the oscillatory reaction dynamics stress the predominant effect of microwaves on the coherence mechanism, preventing in-phase macroscopic oscillations. The obtained results can contribute to the understanding of the mechanism of nonequilibrium transitions on a more general level. © 2006 Elsevier B.V. All rights reserved.
1367.
Trchová, M; Šeděnková, I; Konyushenko, E N; Stejskal, J; Holler, P; Marjanovic, G C
Evolution of polyaniline nanotubes: The oxidation of aniline in water Journal Article
In: Journal of Physical Chemistry B, vol. 110, no. 19, pp. 9461-9468, 2006.
@article{Trchová20069461,
title = {Evolution of polyaniline nanotubes: The oxidation of aniline in water},
author = {M Trchová and I Šeděnková and E N Konyushenko and J Stejskal and P Holler and G C Marjanovic
},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33745461411&doi=10.1021%2fjp057528g&partnerID=40&md5=4376eb9b4b5ac9ce6d92982061fd6b50},
doi = {10.1021/jp057528g},
year = {2006},
date = {2006-01-01},
journal = {Journal of Physical Chemistry B},
volume = {110},
number = {19},
pages = {9461-9468},
abstract = {The course of aniline oxidation with ammonium peroxydisulfate in aqueous solutions has, been investigated. The reaction was terminated at various times and the intermediates collected. Besides the precipitates, the films deposited in situ on silicon windows have also been studied. The kinetic course of polymerization is controlled by the acidity level, which changes during the polymerization from pH 8 to a final value close to pH 1. It has two distinct exothermic phases. Gel-permeation chromatography indicates that aniline oligomers are produced at first at high pH, while polyaniline follows after the pH becomes sufficiently low. The growth of polyaniline nanotubes was observed by optical microscopy and confirmed by electron microscopy. The molecular structure of the reaction intermediates was studied in detail by FTIR spectroscopy. Oxidation products are markedly sulfonated, and they contain phenazine units. Aniline oligomers are more soluble in chloroform than the polymer fraction, which contains nanotubes. © 2006 American Chemical Society.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The course of aniline oxidation with ammonium peroxydisulfate in aqueous solutions has, been investigated. The reaction was terminated at various times and the intermediates collected. Besides the precipitates, the films deposited in situ on silicon windows have also been studied. The kinetic course of polymerization is controlled by the acidity level, which changes during the polymerization from pH 8 to a final value close to pH 1. It has two distinct exothermic phases. Gel-permeation chromatography indicates that aniline oligomers are produced at first at high pH, while polyaniline follows after the pH becomes sufficiently low. The growth of polyaniline nanotubes was observed by optical microscopy and confirmed by electron microscopy. The molecular structure of the reaction intermediates was studied in detail by FTIR spectroscopy. Oxidation products are markedly sulfonated, and they contain phenazine units. Aniline oligomers are more soluble in chloroform than the polymer fraction, which contains nanotubes. © 2006 American Chemical Society.
1368.
Pejić, N; Kolar-Anić, L; Anić, S; Stanisavljev, D
Determination of paracetamol in pure and pharmaceutical dosage forms by pulse perturbation technique Journal Article
In: Journal of Pharmaceutical and Biomedical Analysis, vol. 41, no. 2, pp. 610-615, 2006.
@article{Pejić2006610,
title = {Determination of paracetamol in pure and pharmaceutical dosage forms by pulse perturbation technique},
author = {N Pejić and L Kolar-Anić and S Anić and D Stanisavljev},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645969630&doi=10.1016%2fj.jpba.2005.11.043&partnerID=40&md5=422d71f8470a21f4095a976f04973012},
doi = {10.1016/j.jpba.2005.11.043},
year = {2006},
date = {2006-01-01},
journal = {Journal of Pharmaceutical and Biomedical Analysis},
volume = {41},
number = {2},
pages = {610-615},
abstract = {A new procedure for kinetic determination of paracetamol in pharmaceuticals is proposed. The method is based on potentiometric monitoring of the concentration perturbations of the matrix reaction system being in a stable non-equilibrium stationary state close to the bifurcation point. In the case considered as the matrix system, the Bray-Liebhafsky oscillatory reaction is used. The response of the matrix system to the perturbations by different concentrations of paracetamol is followed by a Pt-electrode. Proposed method relies on the linear relationship between maximal potential shift, ΔE m, and the logarithm of added paracetamol amounts. It is obtained in optimized experimental conditions for variable amounts of paracetamol in the range 0.0085 and 1.5 μmol. The sensitivity and precision of proposed method were quite good (0.0027 μmol as the limit of detection and 2.4% as R.S.D.). Some aspects of possible chemical interactions between paracetamol and matrix are discussed. Applicability of the proposed method to the direct determination of paracetamol in pharmaceutical formulations was demonstrated. © 2005 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A new procedure for kinetic determination of paracetamol in pharmaceuticals is proposed. The method is based on potentiometric monitoring of the concentration perturbations of the matrix reaction system being in a stable non-equilibrium stationary state close to the bifurcation point. In the case considered as the matrix system, the Bray-Liebhafsky oscillatory reaction is used. The response of the matrix system to the perturbations by different concentrations of paracetamol is followed by a Pt-electrode. Proposed method relies on the linear relationship between maximal potential shift, ΔE m, and the logarithm of added paracetamol amounts. It is obtained in optimized experimental conditions for variable amounts of paracetamol in the range 0.0085 and 1.5 μmol. The sensitivity and precision of proposed method were quite good (0.0027 μmol as the limit of detection and 2.4% as R.S.D.). Some aspects of possible chemical interactions between paracetamol and matrix are discussed. Applicability of the proposed method to the direct determination of paracetamol in pharmaceutical formulations was demonstrated. © 2005 Elsevier B.V. All rights reserved.
1369.
Radotić, K; Kalauzi, A; Djikanović, D; Jeremić, M; Leblanc, R M; Cerović, Z G
Component analysis of the fluorescence spectra of a lignin model compound Journal Article
In: Journal of Photochemistry and Photobiology B: Biology, vol. 83, no. 1, pp. 1-10, 2006.
@article{Radotić20061,
title = {Component analysis of the fluorescence spectra of a lignin model compound},
author = {K Radotić and A Kalauzi and D Djikanović and M Jeremić and R M Leblanc and Z G Cerović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33644854929&doi=10.1016%2fj.jphotobiol.2005.12.001&partnerID=40&md5=d41c8f0ce60396e42ced9c45771130fd},
doi = {10.1016/j.jphotobiol.2005.12.001},
year = {2006},
date = {2006-01-01},
journal = {Journal of Photochemistry and Photobiology B: Biology},
volume = {83},
number = {1},
pages = {1-10},
abstract = {In order to test whether lignin fluorescence originates from discrete fluorophores, fluorescence emission spectra of the lignin model dehydrogenative polymer (DHP) were analyzed by the band deconvolution method and time-resolved analysis of both the excitation and emission spectra. Two series of 22 fluorescence emission spectra of DHP in chloroform/methanol (3:1, v/v) solution, and as a solid suspension in water, were deconvoluted into three fluorescence and one Raman Gaussian components. Emission spectra were obtained by stepwise variation of the excitation wavelength from 360 to 465 nm. Deconvolution was performed by nonlinear fitting of all three Gaussian parameters: area, width and position. Position of all components in a series was treated as a random variable and its approximate probability distribution (APD) calculated from a series of histograms with increasing number of abscissa intervals. A five peak multimodal APD profile was obtained for both series of DHP emission spectra. The mean fluorescence lifetime varied with wavelength both in the emission and the excitation decay-associated spectra (DAS), where four kinetic components were resolved. The shapes of the excitation spectra of the four components were quite different and gradually shifted bathochromically. The multicomponent nature of the DHP emission spectra along with the changes in the mean fluorescence lifetime and the form of the excitation DAS of the four components give evidence of the heterogeneous origin of fluorescent species emitting in the visible. © 2005 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In order to test whether lignin fluorescence originates from discrete fluorophores, fluorescence emission spectra of the lignin model dehydrogenative polymer (DHP) were analyzed by the band deconvolution method and time-resolved analysis of both the excitation and emission spectra. Two series of 22 fluorescence emission spectra of DHP in chloroform/methanol (3:1, v/v) solution, and as a solid suspension in water, were deconvoluted into three fluorescence and one Raman Gaussian components. Emission spectra were obtained by stepwise variation of the excitation wavelength from 360 to 465 nm. Deconvolution was performed by nonlinear fitting of all three Gaussian parameters: area, width and position. Position of all components in a series was treated as a random variable and its approximate probability distribution (APD) calculated from a series of histograms with increasing number of abscissa intervals. A five peak multimodal APD profile was obtained for both series of DHP emission spectra. The mean fluorescence lifetime varied with wavelength both in the emission and the excitation decay-associated spectra (DAS), where four kinetic components were resolved. The shapes of the excitation spectra of the four components were quite different and gradually shifted bathochromically. The multicomponent nature of the DHP emission spectra along with the changes in the mean fluorescence lifetime and the form of the excitation DAS of the four components give evidence of the heterogeneous origin of fluorescent species emitting in the visible. © 2005 Elsevier B.V. All rights reserved.
1370.
Stojković, I; Hosseinmardi, A; Jugović, D; Mitrić, M; Cvjetićanin, N
Rapid synthesis of LiCr0.15Mn1.85O4 by glycine-nitrate method Journal Article
In: Solid State Ionics, vol. 177, no. 9-10, pp. 847-850, 2006.
@article{Stojković2006847,
title = {Rapid synthesis of LiCr0.15Mn1.85O4 by glycine-nitrate method},
author = {I Stojković and A Hosseinmardi and D Jugović and M Mitrić and N Cvjetićanin},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33748196582&doi=10.1016%2fj.ssi.2006.02.013&partnerID=40&md5=fc460e8a5e6386980a11d163ffd75439},
doi = {10.1016/j.ssi.2006.02.013},
year = {2006},
date = {2006-01-01},
journal = {Solid State Ionics},
volume = {177},
number = {9-10},
pages = {847-850},
abstract = {LiCr0.15Mn1.85O4 spinel has been successfully synthesized by glycine-nitrate method (GNM). The presence of pure spinel phase was confirmed by long term XRPD measurements and the Rietveld structural refinement. Lattice parameter was estimated to be 8.2338 Å. Average particle size of prepared powder material is below 500 nm. The BET surface area is 9.6 m2 g- 1. As a cathode material for lithium batteries LiCr0.15Mn1.85O4 shows initial discharge capacity of 110 mA h g- 1 and capacity retention of 83% after 50 cycles. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
LiCr0.15Mn1.85O4 spinel has been successfully synthesized by glycine-nitrate method (GNM). The presence of pure spinel phase was confirmed by long term XRPD measurements and the Rietveld structural refinement. Lattice parameter was estimated to be 8.2338 Å. Average particle size of prepared powder material is below 500 nm. The BET surface area is 9.6 m2 g- 1. As a cathode material for lithium batteries LiCr0.15Mn1.85O4 shows initial discharge capacity of 110 mA h g- 1 and capacity retention of 83% after 50 cycles. © 2006 Elsevier B.V. All rights reserved.
1371.
Marković, R; Pergal, M M; Baranac, M; Stanisavljev, D; Stojanović, M
An expedient solvent-free synthesis of (Z)-2-alkylidene-4-oxothiazolidine derivatives under microwave irradiation Journal Article
In: Arkivoc, vol. 2006, no. 2, pp. 83-90, 2006.
@article{Marković200683,
title = {An expedient solvent-free synthesis of (Z)-2-alkylidene-4-oxothiazolidine derivatives under microwave irradiation},
author = {R Marković and M M Pergal and M Baranac and D Stanisavljev and M Stojanović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-29944438563&partnerID=40&md5=8c56f1562049f8bbdce91e942829079f},
year = {2006},
date = {2006-01-01},
journal = {Arkivoc},
volume = {2006},
number = {2},
pages = {83-90},
abstract = {A new and efficient microwave-assisted synthesis of (Z)-2-alkylidene-4- oxothiazolidine derivatives 4 under solvent-free conditions and without solid support, is described. In comparison to conventional technique, experimental evidence reveals the benefits of the MW-promoted synthesis of functionalized 4-oxothiazolidine derivatives 4 in terms of simple workup, efficiency and safe reproducibility. The method, as environmentally cleaner, was shown to be potentially applicable to similar chemical processes, such as the preparation of not easily obtainable 4-oxo-1,3-thiazinan-2-ylidene derivative 6. ©ARKAT.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A new and efficient microwave-assisted synthesis of (Z)-2-alkylidene-4- oxothiazolidine derivatives 4 under solvent-free conditions and without solid support, is described. In comparison to conventional technique, experimental evidence reveals the benefits of the MW-promoted synthesis of functionalized 4-oxothiazolidine derivatives 4 in terms of simple workup, efficiency and safe reproducibility. The method, as environmentally cleaner, was shown to be potentially applicable to similar chemical processes, such as the preparation of not easily obtainable 4-oxo-1,3-thiazinan-2-ylidene derivative 6. ©ARKAT.
1372.
Kolar-Anić, L; Blagojević, S; Pejić, N; Begović, N; Blagojević, S; Anić, S
New evidence of transient complex oscillations in a closed, well-stirred Belousov-Zhabotinsky system Journal Article
In: Journal of the Serbian Chemical Society, vol. 71, no. 6, pp. 605-612, 2006.
@article{Kolar-Anić2006605,
title = {New evidence of transient complex oscillations in a closed, well-stirred Belousov-Zhabotinsky system},
author = {L Kolar-Anić and S Blagojević and N Pejić and N Begović and S Blagojević and S Anić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33748932886&doi=10.2298%2fJSC0606605K&partnerID=40&md5=ae5eba413706e0798c9eda543a08b5f3},
doi = {10.2298/JSC0606605K},
year = {2006},
date = {2006-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {71},
number = {6},
pages = {605-612},
abstract = {Some new experimental evidence of complex irregular oscillations in the Belousov-Zhabotinsky reaction realized in a batch reactor is presented. The results were obtained under relatively low cerium and malonic acid concentrations. One-dimensional maps were used for general discussion, and, particularly, for the influence of noise on the evolution of the oscillations.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Some new experimental evidence of complex irregular oscillations in the Belousov-Zhabotinsky reaction realized in a batch reactor is presented. The results were obtained under relatively low cerium and malonic acid concentrations. One-dimensional maps were used for general discussion, and, particularly, for the influence of noise on the evolution of the oscillations.
1373.
Perić, M; Gutman, I; Radić-Perić, J
The Hückel total π-electron energy puzzle Journal Article
In: Journal of the Serbian Chemical Society, vol. 71, no. 7, pp. 771-783, 2006.
@article{Perić2006771,
title = {The Hückel total π-electron energy puzzle},
author = {M Perić and I Gutman and J Radić-Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33751430459&doi=10.2298%2fJSC0607771P&partnerID=40&md5=6c20a7507805f43762e119fe1a78ced5},
doi = {10.2298/JSC0607771P},
year = {2006},
date = {2006-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {71},
number = {7},
pages = {771-783},
abstract = {In spite of being based on drastic simplifications, the Hückel molecular orbital (HMO) quantum-mechanical model provides a reasonably good description of the properties of π-electrons in conjugated molecules. The HMO approach is found to be particularly successful in the case of the total π-electron energy (E), by means of which it is possible to calculate enthalpies of formation and similar thermodynamic characteristics of conjugated compounds. In this paper it is shown that expressions equivalent to E can be deduced within much more accurate quantum mechanical considerations. This might explain why E agrees so well with experimental findings.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In spite of being based on drastic simplifications, the Hückel molecular orbital (HMO) quantum-mechanical model provides a reasonably good description of the properties of π-electrons in conjugated molecules. The HMO approach is found to be particularly successful in the case of the total π-electron energy (E), by means of which it is possible to calculate enthalpies of formation and similar thermodynamic characteristics of conjugated compounds. In this paper it is shown that expressions equivalent to E can be deduced within much more accurate quantum mechanical considerations. This might explain why E agrees so well with experimental findings.
1374.
Giese, K; Petković, M; Naundorf, H; Kühn, O
Multidimensional quantum dynamics and infrared spectroscopy of hydrogen bonds Journal Article
In: Physics Reports, vol. 430, no. 4, pp. 211-276, 2006.
@article{Giese2006211,
title = {Multidimensional quantum dynamics and infrared spectroscopy of hydrogen bonds},
author = {K Giese and M Petković and H Naundorf and O Kühn},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33745493768&doi=10.1016%2fj.physrep.2006.04.005&partnerID=40&md5=9c92cb1ab3f060d136cba97449c22be7},
doi = {10.1016/j.physrep.2006.04.005},
year = {2006},
date = {2006-01-01},
journal = {Physics Reports},
volume = {430},
number = {4},
pages = {211-276},
abstract = {Hydrogen bonds are of outstanding importance for many processes in Chemistry, Biology, and Physics. From the theoretical perspective the small mass of the proton in a hydrogen bond makes it the primary quantum nucleus and the phenomena one expects to surface in a particular clear way are, for instance, zero-point energy effects, quantum tunneling, or coherent wave packet dynamics. While this is well established in the limit of one-dimensional motion, the details of the multidimensional aspects of the dynamics of hydrogen bonds are just becoming accessible to experiments and numerical simulations. In this review we discuss the theoretical treatment of multidimensional quantum dynamics of hydrogen-bonded systems in the context of infrared spectroscopy. Here, the multidimensionality is reflected in the complex shape of linear infrared absorption spectra which is related to combination transitions and resonances, but also to mode-selective tunneling splittings. The dynamics underlying these spectra can be unravelled by means of time-resolved nonlinear infrared spectroscopy. As a fundamental theoretical ingredient we outline the generation of potential energy surfaces for gas and condensed phase nonreactive and reactive systems. For nonreactive anharmonic vibrational dynamics in the vicinity of a minimum geometry, expansions in terms of normal mode coordinates often provide a reasonable description. For reactive dynamics one can resort to reaction surface ideas, that is, a combination of large amplitude motion of the reactive coordinates and orthogonal harmonic motion of the remaining coordinates. For isolated systems, dynamics and spectroscopy follow from the time-dependent Schrödinger equation. Here, the multiconfiguration time-dependent Hartree method is shown to allow for describing the correlated dynamics of many degrees of freedom. Classical trajectory based methods are also discussed as an alternative to quantum dynamics. Their merits and shortcomings are scrutinized in the context of incorporating tunneling effects in the calculation of spectra. For the condensed phase, reduced density operator based approaches such as the quantum master equation are introduced to properly account for the energy and phase relaxation processes due to the interaction of the hydrogen bond with its surroundings. © 2006.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hydrogen bonds are of outstanding importance for many processes in Chemistry, Biology, and Physics. From the theoretical perspective the small mass of the proton in a hydrogen bond makes it the primary quantum nucleus and the phenomena one expects to surface in a particular clear way are, for instance, zero-point energy effects, quantum tunneling, or coherent wave packet dynamics. While this is well established in the limit of one-dimensional motion, the details of the multidimensional aspects of the dynamics of hydrogen bonds are just becoming accessible to experiments and numerical simulations. In this review we discuss the theoretical treatment of multidimensional quantum dynamics of hydrogen-bonded systems in the context of infrared spectroscopy. Here, the multidimensionality is reflected in the complex shape of linear infrared absorption spectra which is related to combination transitions and resonances, but also to mode-selective tunneling splittings. The dynamics underlying these spectra can be unravelled by means of time-resolved nonlinear infrared spectroscopy. As a fundamental theoretical ingredient we outline the generation of potential energy surfaces for gas and condensed phase nonreactive and reactive systems. For nonreactive anharmonic vibrational dynamics in the vicinity of a minimum geometry, expansions in terms of normal mode coordinates often provide a reasonable description. For reactive dynamics one can resort to reaction surface ideas, that is, a combination of large amplitude motion of the reactive coordinates and orthogonal harmonic motion of the remaining coordinates. For isolated systems, dynamics and spectroscopy follow from the time-dependent Schrödinger equation. Here, the multiconfiguration time-dependent Hartree method is shown to allow for describing the correlated dynamics of many degrees of freedom. Classical trajectory based methods are also discussed as an alternative to quantum dynamics. Their merits and shortcomings are scrutinized in the context of incorporating tunneling effects in the calculation of spectra. For the condensed phase, reduced density operator based approaches such as the quantum master equation are introduced to properly account for the energy and phase relaxation processes due to the interaction of the hydrogen bond with its surroundings. © 2006.
1375.
Ciric-Marjanovic, G; Trchová, M; Stejskal, J
MNDO-PM3 study of the early stages of the chemical oxidative polymerization of aniline Journal Article
In: Collection of Czechoslovak Chemical Communications, vol. 71, no. 10, pp. 1407-1426, 2006.
@article{Ciric-Marjanovic20061407,
title = {MNDO-PM3 study of the early stages of the chemical oxidative polymerization of aniline},
author = {G Ciric-Marjanovic and M Trchová and J Stejskal},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33750695674&doi=10.1135%2fcccc20061407&partnerID=40&md5=46ef922050907d8092f1f0d8620668aa},
doi = {10.1135/cccc20061407},
year = {2006},
date = {2006-01-01},
journal = {Collection of Czechoslovak Chemical Communications},
volume = {71},
number = {10},
pages = {1407-1426},
abstract = {The theoretical approach to the study of aniline polymerization mechanism has been based on the MNDO-PM3 semi-empirical quantum chemical computations of the heat of formation of aniline dimer and trimer intermediates. The oxidation in aqueous medium without added acid is analyzed. The aniline nitrenium cation is proposed to be the reactive electrophilic species generated by the oxidation of aniline with a two-electron oxidant, ammonium peroxydisulfate, in the initiation phase. 4-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,4-benzoquinonediimine, are the main dimeric products. 2-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,2- benzoquinonediimine, are the most important side products of aniline dimerization. The influence of protonation on the oxidizability of aniline and reaction intermediates was studied. The dominant aniline oligomers have been shown to be linear as well as branched. The importance of reactivity difference between fully oxidized aniline oligomers composed of odd or even numbers of constitutional aniline units is pointed out. The species with odd numbers of aniline units, having nitrenium cationic nature, are much more reactive. The oxidation combined with intramolecular cyclization reaction pathways leads to substituted phenazines, characteristic of two-dimensional PANI chain-growth. © 2006 Institute of Organic Chemistry and Biochemistry.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The theoretical approach to the study of aniline polymerization mechanism has been based on the MNDO-PM3 semi-empirical quantum chemical computations of the heat of formation of aniline dimer and trimer intermediates. The oxidation in aqueous medium without added acid is analyzed. The aniline nitrenium cation is proposed to be the reactive electrophilic species generated by the oxidation of aniline with a two-electron oxidant, ammonium peroxydisulfate, in the initiation phase. 4-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,4-benzoquinonediimine, are the main dimeric products. 2-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,2- benzoquinonediimine, are the most important side products of aniline dimerization. The influence of protonation on the oxidizability of aniline and reaction intermediates was studied. The dominant aniline oligomers have been shown to be linear as well as branched. The importance of reactivity difference between fully oxidized aniline oligomers composed of odd or even numbers of constitutional aniline units is pointed out. The species with odd numbers of aniline units, having nitrenium cationic nature, are much more reactive. The oxidation combined with intramolecular cyclization reaction pathways leads to substituted phenazines, characteristic of two-dimensional PANI chain-growth. © 2006 Institute of Organic Chemistry and Biochemistry.
1376.
Kuntić, V; Stanojević, M; Holclajtner-Antunović, I; Uskoković-Marković, S; Mioč, U; Todorović, M; Jovanović, T; Vukojević, V
Synthesis, characterization, and biological activity of amino acid derivatives of the heteropolytungstophosphoric acid Journal Article
In: Monatshefte fur Chemie, vol. 137, no. 6, pp. 803-810, 2006.
@article{Kuntić2006803,
title = {Synthesis, characterization, and biological activity of amino acid derivatives of the heteropolytungstophosphoric acid},
author = {V Kuntić and M Stanojević and I Holclajtner-Antunović and S Uskoković-Marković and U Mioč and M Todorović and T Jovanović and V Vukojević},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33745013371&doi=10.1007%2fs00706-006-0467-3&partnerID=40&md5=992c1933966e242b92968333eb500067},
doi = {10.1007/s00706-006-0467-3},
year = {2006},
date = {2006-01-01},
journal = {Monatshefte fur Chemie},
volume = {137},
number = {6},
pages = {803-810},
abstract = {Compounds of phosphotungstic acid (WPA) containing the amino acids alanine (WPA-Ala) or glycine (WPA-Gly) as counter cations were synthesized and characterized by elemental analysis, thermal analysis, and IR spectroscopy. Cellular toxicity was assessed by the trypan blue exclusion method, and the antiviral activity of WPA and the modified WPA compounds was tested against herpes simplex viruses (HSV) type 1 and type 2. Biological assays indicate that the newly synthesized compounds exhibit no evident cytotoxic effects on Vero cells and negligible antiviral activity against HSV-1 and HSV-2. © Springer-Verlag 2006.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Compounds of phosphotungstic acid (WPA) containing the amino acids alanine (WPA-Ala) or glycine (WPA-Gly) as counter cations were synthesized and characterized by elemental analysis, thermal analysis, and IR spectroscopy. Cellular toxicity was assessed by the trypan blue exclusion method, and the antiviral activity of WPA and the modified WPA compounds was tested against herpes simplex viruses (HSV) type 1 and type 2. Biological assays indicate that the newly synthesized compounds exhibit no evident cytotoxic effects on Vero cells and negligible antiviral activity against HSV-1 and HSV-2. © Springer-Verlag 2006.
1377.
Rac, V; Rakić, V; Gajinov, S; Dondur, V; Auroux, A
Room-temperature interaction of n-hexane with ZSM-5 zeolites : Microcalorimetric and temperature-programmed desorption studies Journal Article
In: Journal of Thermal Analysis and Calorimetry, vol. 84, no. 1, pp. 239-245, 2006.
@article{Rac2006239,
title = {Room-temperature interaction of n-hexane with ZSM-5 zeolites : Microcalorimetric and temperature-programmed desorption studies},
author = {V Rac and V Rakić and S Gajinov and V Dondur and A Auroux},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645920991&doi=10.1007%2fs10973-005-7164-z&partnerID=40&md5=9d150aba1f0fa629b94616698871145f},
doi = {10.1007/s10973-005-7164-z},
year = {2006},
date = {2006-01-01},
journal = {Journal of Thermal Analysis and Calorimetry},
volume = {84},
number = {1},
pages = {239-245},
abstract = {In this work, room temperature interaction of n-hexane with HZSM-5 (Si/Al=20) and ion-exchanged samples containing one (CuZSM-5, FeZSM-5 and MnZSM-5) or two transition-metal cations (Fe,CuZSM-5; Cu,MnZSM-5 and Fe,MnZSM-5) was studied by microcalorimetry and TPD methods. Both differential heats and the amounts of n-hexane adsorbed per one unit cell were quantitatively determined. Higher heats of adsorption and higher amounts of adsorbed gas were found for ion-exchanged samples than for HZSM-5. The experiments of n-hexane adsorption on hydrated samples were also performed. The amounts of n-hexane adsorbed on hydrated ZSM-5 were lower in comparison with dehydrated samples, while the energies of interaction were similar. © 2006 Akadémiai Kiadó.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this work, room temperature interaction of n-hexane with HZSM-5 (Si/Al=20) and ion-exchanged samples containing one (CuZSM-5, FeZSM-5 and MnZSM-5) or two transition-metal cations (Fe,CuZSM-5; Cu,MnZSM-5 and Fe,MnZSM-5) was studied by microcalorimetry and TPD methods. Both differential heats and the amounts of n-hexane adsorbed per one unit cell were quantitatively determined. Higher heats of adsorption and higher amounts of adsorbed gas were found for ion-exchanged samples than for HZSM-5. The experiments of n-hexane adsorption on hydrated samples were also performed. The amounts of n-hexane adsorbed on hydrated ZSM-5 were lower in comparison with dehydrated samples, while the energies of interaction were similar. © 2006 Akadémiai Kiadó.
1378.
Mioč, U B; Todorovič, M R; Davidovič, M; Colomban, Ph.; Holclajtner-Antunovič, I
Erratum: Heteropoly compounds-from proton conductors to biomedical agents (Solid State Ionics (2005) 176:39-40 (3005-3017)) Journal Article
In: Solid State Ionics, vol. 177, no. 5-6, pp. 623-624, 2006.
@article{Mioč2006623,
title = {Erratum: Heteropoly compounds-from proton conductors to biomedical agents (Solid State Ionics (2005) 176:39-40 (3005-3017))},
author = {U B Mioč and M R Todorovič and M Davidovič and Ph. Colomban and I Holclajtner-Antunovič},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-32644440815&doi=10.1016%2fj.ssi.2005.12.018&partnerID=40&md5=61483f3adc8979b3d8994f372acaaf36},
doi = {10.1016/j.ssi.2005.12.018},
year = {2006},
date = {2006-01-01},
journal = {Solid State Ionics},
volume = {177},
number = {5-6},
pages = {623-624},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
1379.
Ćirić-Marjanović, G; Trchová, M; Matějka, P; Holler, P; Marjanović, B; Juranić, I
In: Reactive and Functional Polymers, vol. 66, no. 12, pp. 1670-1683, 2006.
@article{Ćirić-Marjanović20061670,
title = {Electrochemical oxidative polymerization of sodium 4-amino-3-hydroxynaphthalene-1-sulfonate and structural characterization of polymeric products},
author = {G Ćirić-Marjanović and M Trchová and P Matějka and P Holler and B Marjanović and I Juranić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33751311045&doi=10.1016%2fj.reactfunctpolym.2006.07.002&partnerID=40&md5=cd1b197a64bb16c91c58bbd67a6d94f0},
doi = {10.1016/j.reactfunctpolym.2006.07.002},
year = {2006},
date = {2006-01-01},
journal = {Reactive and Functional Polymers},
volume = {66},
number = {12},
pages = {1670-1683},
abstract = {The new semiconducting, electroactive, water-soluble polymeric material has been synthesized by the electrochemical polymerization of sodium 4-amino-3-hydroxynaphthalene-1-sulfonate (AHNSA-Na salt), from its aqueous solution. The polymeric products were characterized by gel permeation chromatography (GPC), conductivity measurements, cyclic voltammetry, and UV-visible, FTIR, Raman, NMR ( 1 H and 13 C) and electron spin resonance (ESR) spectroscopic techniques. GPC profile evidenced chains of molecular weights up to ∼6300, and revealed oligomers (8-mer to 12-mer) as predominant species. FTIR spectroscopy findings of newly formed substitution patterns on naphthalene rings in the poly(AHNSA-Na salt) are well correlated with main coupling modes theoretically predicted by MNDO-PM3 semi-empirical quantum mechanical calculations. Based on these studies, it has been found that the poly(AHNSA-Na salt) consists mainly of dimer units formed via N-C6 and N-C8 coupling reactions. The paramagnetic nature of the poly(AHNSA-Na salt) has been proved by ESR spectroscopy, and its redox activity was confirmed by cyclic voltammetry. Intensity ratio of two new bands in the UV-visible spectrum assigned to the poly(AHNSA-Na salt) polaronic and bipolaronic forms, and the presence of naphthoiminoquinonoid and benzenoid segments detected by FTIR and Raman spectroscopy, indicate prevalence of partly and fully oxidized bipolaronic forms of the poly(AHNSA-Na salt). © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The new semiconducting, electroactive, water-soluble polymeric material has been synthesized by the electrochemical polymerization of sodium 4-amino-3-hydroxynaphthalene-1-sulfonate (AHNSA-Na salt), from its aqueous solution. The polymeric products were characterized by gel permeation chromatography (GPC), conductivity measurements, cyclic voltammetry, and UV-visible, FTIR, Raman, NMR ( 1 H and 13 C) and electron spin resonance (ESR) spectroscopic techniques. GPC profile evidenced chains of molecular weights up to ∼6300, and revealed oligomers (8-mer to 12-mer) as predominant species. FTIR spectroscopy findings of newly formed substitution patterns on naphthalene rings in the poly(AHNSA-Na salt) are well correlated with main coupling modes theoretically predicted by MNDO-PM3 semi-empirical quantum mechanical calculations. Based on these studies, it has been found that the poly(AHNSA-Na salt) consists mainly of dimer units formed via N-C6 and N-C8 coupling reactions. The paramagnetic nature of the poly(AHNSA-Na salt) has been proved by ESR spectroscopy, and its redox activity was confirmed by cyclic voltammetry. Intensity ratio of two new bands in the UV-visible spectrum assigned to the poly(AHNSA-Na salt) polaronic and bipolaronic forms, and the presence of naphthoiminoquinonoid and benzenoid segments detected by FTIR and Raman spectroscopy, indicate prevalence of partly and fully oxidized bipolaronic forms of the poly(AHNSA-Na salt). © 2006 Elsevier B.V. All rights reserved.
1380.
Dragović, S; Janković, Lj.; Onjia, A; Bačić, G
Distribution of primordial radionuclides in surface soils from Serbia and Montenegro Journal Article
In: Radiation Measurements, vol. 41, no. 5, pp. 611-616, 2006.
@article{Dragović2006611,
title = {Distribution of primordial radionuclides in surface soils from Serbia and Montenegro},
author = {S Dragović and Lj. Janković and A Onjia and G Bačić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33646895443&doi=10.1016%2fj.radmeas.2006.03.007&partnerID=40&md5=117ebb557d2ccb53d32c575883295a0a},
doi = {10.1016/j.radmeas.2006.03.007},
year = {2006},
date = {2006-01-01},
journal = {Radiation Measurements},
volume = {41},
number = {5},
pages = {611-616},
abstract = {The specific activities of primordial radionuclides in soil samples from 21 different locations in Serbia and Montenegro were determined by gamma-ray spectrometry. The results obtained were compared with those from other studies conducted worldwide. Concentrations of radionuclides in soils analyzed in this study ranged from 1.28 to 4.80 ppm for uranium, from 5.26 to 19.0 ppm for thorium, and from 0.97% to 2.87% for potassium. The mean concentrations of U (2.76 ppm) and Th (10.4 ppm) are similar to the world average (2.64 and 11.1 ppm for U and Th, respectively), whereas the mean concentration of K (1.98%) is about 1.4 times higher than world average value (1.37%). © 2006 Elsevier Ltd. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The specific activities of primordial radionuclides in soil samples from 21 different locations in Serbia and Montenegro were determined by gamma-ray spectrometry. The results obtained were compared with those from other studies conducted worldwide. Concentrations of radionuclides in soils analyzed in this study ranged from 1.28 to 4.80 ppm for uranium, from 5.26 to 19.0 ppm for thorium, and from 0.97% to 2.87% for potassium. The mean concentrations of U (2.76 ppm) and Th (10.4 ppm) are similar to the world average (2.64 and 11.1 ppm for U and Th, respectively), whereas the mean concentration of K (1.98%) is about 1.4 times higher than world average value (1.37%). © 2006 Elsevier Ltd. All rights reserved.
2006
Perić, M; Jerosimić, S; Ranković, R; Krmar, M; Radić-Perić, J
An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian Journal Article
In: Chemical Physics, vol. 330, no. 1-2, pp. 60-72, 2006.
@article{Perić200660,
title = {An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian},
author = {M Perić and S Jerosimić and R Ranković and M Krmar and J Radić-Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33750492948&doi=10.1016%2fj.chemphys.2006.07.035&partnerID=40&md5=a99a9e68128c6476b4f407a01406c4eb},
doi = {10.1016/j.chemphys.2006.07.035},
year = {2006},
date = {2006-01-01},
journal = {Chemical Physics},
volume = {330},
number = {1-2},
pages = {60-72},
abstract = {With the present paper we begin an extensive study of the Renner-Teller effect in linear and quasilinear tetra-atomic molecules. Although this topic has been the subject of considerable work carried out by the present authors and their colleagues, there are a number of critical points that have not been discussed profoundly enough, so that we feel it necessary to elucidate them in more detail. This particularly concerns the relationship between the Renner-Teller effect in tetra-atomic molecules and related coupling mechanisms appearing in triatomics, as well as avoided crossings, conical intersections and Jahn-Teller effect in nonlinear high-symmetry species. In the present paper we introduce various types of coordinates and derive general forms of the model bending Hamiltonian for molecules in Π, Δ, and Φ electronic states. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
With the present paper we begin an extensive study of the Renner-Teller effect in linear and quasilinear tetra-atomic molecules. Although this topic has been the subject of considerable work carried out by the present authors and their colleagues, there are a number of critical points that have not been discussed profoundly enough, so that we feel it necessary to elucidate them in more detail. This particularly concerns the relationship between the Renner-Teller effect in tetra-atomic molecules and related coupling mechanisms appearing in triatomics, as well as avoided crossings, conical intersections and Jahn-Teller effect in nonlinear high-symmetry species. In the present paper we introduce various types of coordinates and derive general forms of the model bending Hamiltonian for molecules in Π, Δ, and Φ electronic states. © 2006 Elsevier B.V. All rights reserved.
Perić, M
An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. II. Study of the crossing of potential surfaces Journal Article
In: Chemical Physics, vol. 330, no. 1-2, pp. 73-81, 2006.
@article{Perić200673,
title = {An ab initio model for handling the Renner-Teller effect in tetra-atomic molecules. II. Study of the crossing of potential surfaces},
author = {M Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33750491942&doi=10.1016%2fj.chemphys.2006.07.036&partnerID=40&md5=d9e0d827b0f1883c43ee228e631d2091},
doi = {10.1016/j.chemphys.2006.07.036},
year = {2006},
date = {2006-01-01},
journal = {Chemical Physics},
volume = {330},
number = {1-2},
pages = {73-81},
abstract = {In the present paper, we show that the Renner-Teller effect in tetra-atomic molecules is always accompanied by (avoided) crossings of potential surfaces corresponding to the electronic states that correlate with a spatially degenerate species of linear molecule. We restrict ourselves to Π electronic states and the lowest-order (harmonic) approximation. It is demonstrated that the simple model we employ, implicitly involves a diabatic transformation of the electronic states, which makes possible to remove the difficulties caused by the breakdown of the Born-Oppenheimer approximation at nonlinear as well as linear nuclear arrangements. The reliability of the model is illustrated on example of the X 2 Π electronic state of the HCCS radical. Numerical computations are carried out employing the data obtained in extensive ab initio calculations. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the present paper, we show that the Renner-Teller effect in tetra-atomic molecules is always accompanied by (avoided) crossings of potential surfaces corresponding to the electronic states that correlate with a spatially degenerate species of linear molecule. We restrict ourselves to Π electronic states and the lowest-order (harmonic) approximation. It is demonstrated that the simple model we employ, implicitly involves a diabatic transformation of the electronic states, which makes possible to remove the difficulties caused by the breakdown of the Born-Oppenheimer approximation at nonlinear as well as linear nuclear arrangements. The reliability of the model is illustrated on example of the X 2 Π electronic state of the HCCS radical. Numerical computations are carried out employing the data obtained in extensive ab initio calculations. © 2006 Elsevier B.V. All rights reserved.
Maksimović, V; Mojović, M; Vučinić, Z
Monosaccharide-H 2 O 2 reactions as a source of glycolate and their stimulation by hydroxyl radicals Journal Article
In: Carbohydrate Research, vol. 341, no. 14, pp. 2360-2369, 2006.
@article{Maksimović20062360,
title = {Monosaccharide-H 2 O 2 reactions as a source of glycolate and their stimulation by hydroxyl radicals},
author = {V Maksimović and M Mojović and Z Vučinić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33747801093&doi=10.1016%2fj.carres.2006.06.023&partnerID=40&md5=f26dbe11f9acbf8a464e76e446e12a98},
doi = {10.1016/j.carres.2006.06.023},
year = {2006},
date = {2006-01-01},
journal = {Carbohydrate Research},
volume = {341},
number = {14},
pages = {2360-2369},
abstract = {An analysis of the H 2 O 2 -induced breakdown and transformation of different keto-monosaccharides at physiological concentrations reveals that glycolate and other short-chained carbohydrates and organic acids are produced. Depletion of monosaccharides and glycolate synthesis occurs at increased rates as the length of the carbohydrate chain is decreased, and is significantly increased in the presence of trace amounts of Fe 2+ ions (10 μM). Rates of monosaccharide depletion (initial concentration of 3 mM) observed were up to 1.55 mmol h -1 in the case of fructose, and 2.59 mmol h -1 in the case of dihydroxyacetone, depending upon pH, H 2 O 2 concentration, temperature and the presence or absence of catalytic amounts of Fe 2+ . Glycolate was produced by dihydroxyacetone cleavage at rates up to 0.45 mmol h -1 in the absence, and up to 1.88 mmol h -1 in the presence of Fe 2+ ions (pH 8). Besides glycolate, other sugars (ribose, glyceraldehyde, glucose), glucitol (sorbitol) and organic acids (formic and 2-oxogluconic acid) were produced in such H 2 O 2 -induced reactions with fructose or dihydroxyacetone. EPR measurements demonstrated the participation of the radical dot OH radical, especially at higher pH. Presence of metal ions at higher pH values, resulting in increased glycolate synthesis, was accompanied by enhanced hydroxyl radical generation. Observed changes in intensity of DEPMPO-OH signals recorded from dihydroxyacetone and fructose reactions demonstrate a strong correlation with changes in glycolate yield, suggesting that radical dot OH radical formation enhances glycolate synthesis. The results presented suggest that different mechanisms are responsible for the cleavage or other reactions (isomerisation, auto- or free-radical-mediated oxidation) of keto-monosaccharides depending of experimental conditions. © 2006 Elsevier Ltd. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
An analysis of the H 2 O 2 -induced breakdown and transformation of different keto-monosaccharides at physiological concentrations reveals that glycolate and other short-chained carbohydrates and organic acids are produced. Depletion of monosaccharides and glycolate synthesis occurs at increased rates as the length of the carbohydrate chain is decreased, and is significantly increased in the presence of trace amounts of Fe 2+ ions (10 μM). Rates of monosaccharide depletion (initial concentration of 3 mM) observed were up to 1.55 mmol h -1 in the case of fructose, and 2.59 mmol h -1 in the case of dihydroxyacetone, depending upon pH, H 2 O 2 concentration, temperature and the presence or absence of catalytic amounts of Fe 2+ . Glycolate was produced by dihydroxyacetone cleavage at rates up to 0.45 mmol h -1 in the absence, and up to 1.88 mmol h -1 in the presence of Fe 2+ ions (pH 8). Besides glycolate, other sugars (ribose, glyceraldehyde, glucose), glucitol (sorbitol) and organic acids (formic and 2-oxogluconic acid) were produced in such H 2 O 2 -induced reactions with fructose or dihydroxyacetone. EPR measurements demonstrated the participation of the radical dot OH radical, especially at higher pH. Presence of metal ions at higher pH values, resulting in increased glycolate synthesis, was accompanied by enhanced hydroxyl radical generation. Observed changes in intensity of DEPMPO-OH signals recorded from dihydroxyacetone and fructose reactions demonstrate a strong correlation with changes in glycolate yield, suggesting that radical dot OH radical formation enhances glycolate synthesis. The results presented suggest that different mechanisms are responsible for the cleavage or other reactions (isomerisation, auto- or free-radical-mediated oxidation) of keto-monosaccharides depending of experimental conditions. © 2006 Elsevier Ltd. All rights reserved.
Adnadjevic, B K; Jovanovic, J D
In: Adsorption Science and Technology, vol. 24, no. 8, pp. 645-655, 2006.
@article{Adnadjevic2006645,
title = {Influence of the primary structural parameters of a precipitated SiO2 on the specific parameters of the adsorption isotherms of cholesterol dissolved in toluene},
author = {B K Adnadjevic and J D Jovanovic},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-34547811391&doi=10.1260%2f026361706781355064&partnerID=40&md5=5f7bf79b0e86c6eaaf8c45a4e506511e},
doi = {10.1260/026361706781355064},
year = {2006},
date = {2006-01-01},
journal = {Adsorption Science and Technology},
volume = {24},
number = {8},
pages = {645-655},
abstract = {The influence of the primary structural parameters of the precipitated SiO2 [globular diameter (d2), coordination number (CN) and coalescence coefficient (CC)] on the specific parameters associated with the shapes of the adsorption isotherms [range of linearity (P), adsorption sensitivity (IS) and equilibrium adsorption capacity (amax)], the constants of the Freundlich isotherm (k and z) and the energy density distribution function parameters of the adsorption centres (β, m) was investigated. It was found that increasing the coordination number and coalescence coefficient values led to a decrease in the amax and z values, as well as in the fraction of dominant adsorption centres, while the β value and the specific amount of cholesterol adsorbed on the remained centres (a2) increased. The changes in the range of linearity (P) of the adsorption isotherms were in agreement with the parameter values of the density distribution function, while the changes in adsorption sensitivity and the Freundlich constant k correlated with the changes in the specific amount of cholesterol adsorbed at the dominant adsorption centres. The optimal values for cholesterol adsorption and of the primary structural parameters of the adsorbents based on the precipitated SiO2 were defined.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The influence of the primary structural parameters of the precipitated SiO2 [globular diameter (d2), coordination number (CN) and coalescence coefficient (CC)] on the specific parameters associated with the shapes of the adsorption isotherms [range of linearity (P), adsorption sensitivity (IS) and equilibrium adsorption capacity (amax)], the constants of the Freundlich isotherm (k and z) and the energy density distribution function parameters of the adsorption centres (β, m) was investigated. It was found that increasing the coordination number and coalescence coefficient values led to a decrease in the amax and z values, as well as in the fraction of dominant adsorption centres, while the β value and the specific amount of cholesterol adsorbed on the remained centres (a2) increased. The changes in the range of linearity (P) of the adsorption isotherms were in agreement with the parameter values of the density distribution function, while the changes in adsorption sensitivity and the Freundlich constant k correlated with the changes in the specific amount of cholesterol adsorbed at the dominant adsorption centres. The optimal values for cholesterol adsorption and of the primary structural parameters of the adsorbents based on the precipitated SiO2 were defined.
Kaninski, M P Marčeta; Stojić, D. Lj.; Šaponjić, D P; Potkonjak, N I; Miljanić, S S
Comparison of different electrode materials-Energy requirements in the electrolytic hydrogen evolution process Journal Article
In: Journal of Power Sources, vol. 157, no. 2, pp. 758-764, 2006.
@article{MarčetaKaninski2006758,
title = {Comparison of different electrode materials-Energy requirements in the electrolytic hydrogen evolution process},
author = {M P Marčeta Kaninski and D.Lj. Stojić and D P Šaponjić and N I Potkonjak and S S Miljanić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33744535388&doi=10.1016%2fj.jpowsour.2005.10.105&partnerID=40&md5=b29b72581c8bc054153d8d5f50307af9},
doi = {10.1016/j.jpowsour.2005.10.105},
year = {2006},
date = {2006-01-01},
journal = {Journal of Power Sources},
volume = {157},
number = {2},
pages = {758-764},
abstract = {Hydrogen is one of the most widely produced commodities in the world economy. The basic technologies for producing hydrogen via the electrolysis of water have long been known. However, there are disadvantages when using this process. Two-thirds of the operation costs of the electrolyzers are electricity costs. The challenge, addressed by numerous companies and researchers in the last few years, is the cost cutting by increasing efficiency of the process. The aim of this work was the attempt to optimize the electrolytic hydrogen production from alkaline solution, through the variation of cathode materials and use of ionic activators. The part of our results shows the better electrocatalytic activity of intermetallic phases and the energy consumption is decreased when compared with the industrial data (4.5-5 kWh m -3 H 2 ). The role of ionic activator used is also very significant. These results give the opportunity for further research of cumulative effect of the intermetallic electrodes and ionic activators on industrial level. © 2005 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hydrogen is one of the most widely produced commodities in the world economy. The basic technologies for producing hydrogen via the electrolysis of water have long been known. However, there are disadvantages when using this process. Two-thirds of the operation costs of the electrolyzers are electricity costs. The challenge, addressed by numerous companies and researchers in the last few years, is the cost cutting by increasing efficiency of the process. The aim of this work was the attempt to optimize the electrolytic hydrogen production from alkaline solution, through the variation of cathode materials and use of ionic activators. The part of our results shows the better electrocatalytic activity of intermetallic phases and the energy consumption is decreased when compared with the industrial data (4.5-5 kWh m -3 H 2 ). The role of ionic activator used is also very significant. These results give the opportunity for further research of cumulative effect of the intermetallic electrodes and ionic activators on industrial level. © 2005 Elsevier B.V. All rights reserved.
Stanisavljev, D R; Djordjević, A R; Likar-Smiljanić, V D
Microwaves and coherence in the Bray-Liebhafsky oscillatory reaction Journal Article
In: Chemical Physics Letters, vol. 423, no. 1-3, pp. 59-62, 2006.
@article{Stanisavljev200659,
title = {Microwaves and coherence in the Bray-Liebhafsky oscillatory reaction},
author = {D R Stanisavljev and A R Djordjević and V D Likar-Smiljanić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33646195205&doi=10.1016%2fj.cplett.2006.03.024&partnerID=40&md5=00e6c577da69fb5e85f0657dedc000b8},
doi = {10.1016/j.cplett.2006.03.024},
year = {2006},
date = {2006-01-01},
journal = {Chemical Physics Letters},
volume = {423},
number = {1-3},
pages = {59-62},
abstract = {Simultaneous application of microwave (MW) heating and mechanical stirring to the Bray-Liebhafsky reaction supports the 'nucleation' theory of nonequilibrium transitions. The opposite effects of microwaves and stirring on the oscillatory reaction dynamics stress the predominant effect of microwaves on the coherence mechanism, preventing in-phase macroscopic oscillations. The obtained results can contribute to the understanding of the mechanism of nonequilibrium transitions on a more general level. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Simultaneous application of microwave (MW) heating and mechanical stirring to the Bray-Liebhafsky reaction supports the 'nucleation' theory of nonequilibrium transitions. The opposite effects of microwaves and stirring on the oscillatory reaction dynamics stress the predominant effect of microwaves on the coherence mechanism, preventing in-phase macroscopic oscillations. The obtained results can contribute to the understanding of the mechanism of nonequilibrium transitions on a more general level. © 2006 Elsevier B.V. All rights reserved.
Trchová, M; Šeděnková, I; Konyushenko, E N; Stejskal, J; Holler, P; Marjanovic, G C
Evolution of polyaniline nanotubes: The oxidation of aniline in water Journal Article
In: Journal of Physical Chemistry B, vol. 110, no. 19, pp. 9461-9468, 2006.
@article{Trchová20069461,
title = {Evolution of polyaniline nanotubes: The oxidation of aniline in water},
author = {M Trchová and I Šeděnková and E N Konyushenko and J Stejskal and P Holler and G C Marjanovic
},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33745461411&doi=10.1021%2fjp057528g&partnerID=40&md5=4376eb9b4b5ac9ce6d92982061fd6b50},
doi = {10.1021/jp057528g},
year = {2006},
date = {2006-01-01},
journal = {Journal of Physical Chemistry B},
volume = {110},
number = {19},
pages = {9461-9468},
abstract = {The course of aniline oxidation with ammonium peroxydisulfate in aqueous solutions has, been investigated. The reaction was terminated at various times and the intermediates collected. Besides the precipitates, the films deposited in situ on silicon windows have also been studied. The kinetic course of polymerization is controlled by the acidity level, which changes during the polymerization from pH 8 to a final value close to pH 1. It has two distinct exothermic phases. Gel-permeation chromatography indicates that aniline oligomers are produced at first at high pH, while polyaniline follows after the pH becomes sufficiently low. The growth of polyaniline nanotubes was observed by optical microscopy and confirmed by electron microscopy. The molecular structure of the reaction intermediates was studied in detail by FTIR spectroscopy. Oxidation products are markedly sulfonated, and they contain phenazine units. Aniline oligomers are more soluble in chloroform than the polymer fraction, which contains nanotubes. © 2006 American Chemical Society.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The course of aniline oxidation with ammonium peroxydisulfate in aqueous solutions has, been investigated. The reaction was terminated at various times and the intermediates collected. Besides the precipitates, the films deposited in situ on silicon windows have also been studied. The kinetic course of polymerization is controlled by the acidity level, which changes during the polymerization from pH 8 to a final value close to pH 1. It has two distinct exothermic phases. Gel-permeation chromatography indicates that aniline oligomers are produced at first at high pH, while polyaniline follows after the pH becomes sufficiently low. The growth of polyaniline nanotubes was observed by optical microscopy and confirmed by electron microscopy. The molecular structure of the reaction intermediates was studied in detail by FTIR spectroscopy. Oxidation products are markedly sulfonated, and they contain phenazine units. Aniline oligomers are more soluble in chloroform than the polymer fraction, which contains nanotubes. © 2006 American Chemical Society.
Pejić, N; Kolar-Anić, L; Anić, S; Stanisavljev, D
Determination of paracetamol in pure and pharmaceutical dosage forms by pulse perturbation technique Journal Article
In: Journal of Pharmaceutical and Biomedical Analysis, vol. 41, no. 2, pp. 610-615, 2006.
@article{Pejić2006610,
title = {Determination of paracetamol in pure and pharmaceutical dosage forms by pulse perturbation technique},
author = {N Pejić and L Kolar-Anić and S Anić and D Stanisavljev},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645969630&doi=10.1016%2fj.jpba.2005.11.043&partnerID=40&md5=422d71f8470a21f4095a976f04973012},
doi = {10.1016/j.jpba.2005.11.043},
year = {2006},
date = {2006-01-01},
journal = {Journal of Pharmaceutical and Biomedical Analysis},
volume = {41},
number = {2},
pages = {610-615},
abstract = {A new procedure for kinetic determination of paracetamol in pharmaceuticals is proposed. The method is based on potentiometric monitoring of the concentration perturbations of the matrix reaction system being in a stable non-equilibrium stationary state close to the bifurcation point. In the case considered as the matrix system, the Bray-Liebhafsky oscillatory reaction is used. The response of the matrix system to the perturbations by different concentrations of paracetamol is followed by a Pt-electrode. Proposed method relies on the linear relationship between maximal potential shift, ΔE m, and the logarithm of added paracetamol amounts. It is obtained in optimized experimental conditions for variable amounts of paracetamol in the range 0.0085 and 1.5 μmol. The sensitivity and precision of proposed method were quite good (0.0027 μmol as the limit of detection and 2.4% as R.S.D.). Some aspects of possible chemical interactions between paracetamol and matrix are discussed. Applicability of the proposed method to the direct determination of paracetamol in pharmaceutical formulations was demonstrated. © 2005 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A new procedure for kinetic determination of paracetamol in pharmaceuticals is proposed. The method is based on potentiometric monitoring of the concentration perturbations of the matrix reaction system being in a stable non-equilibrium stationary state close to the bifurcation point. In the case considered as the matrix system, the Bray-Liebhafsky oscillatory reaction is used. The response of the matrix system to the perturbations by different concentrations of paracetamol is followed by a Pt-electrode. Proposed method relies on the linear relationship between maximal potential shift, ΔE m, and the logarithm of added paracetamol amounts. It is obtained in optimized experimental conditions for variable amounts of paracetamol in the range 0.0085 and 1.5 μmol. The sensitivity and precision of proposed method were quite good (0.0027 μmol as the limit of detection and 2.4% as R.S.D.). Some aspects of possible chemical interactions between paracetamol and matrix are discussed. Applicability of the proposed method to the direct determination of paracetamol in pharmaceutical formulations was demonstrated. © 2005 Elsevier B.V. All rights reserved.
Radotić, K; Kalauzi, A; Djikanović, D; Jeremić, M; Leblanc, R M; Cerović, Z G
Component analysis of the fluorescence spectra of a lignin model compound Journal Article
In: Journal of Photochemistry and Photobiology B: Biology, vol. 83, no. 1, pp. 1-10, 2006.
@article{Radotić20061,
title = {Component analysis of the fluorescence spectra of a lignin model compound},
author = {K Radotić and A Kalauzi and D Djikanović and M Jeremić and R M Leblanc and Z G Cerović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33644854929&doi=10.1016%2fj.jphotobiol.2005.12.001&partnerID=40&md5=d41c8f0ce60396e42ced9c45771130fd},
doi = {10.1016/j.jphotobiol.2005.12.001},
year = {2006},
date = {2006-01-01},
journal = {Journal of Photochemistry and Photobiology B: Biology},
volume = {83},
number = {1},
pages = {1-10},
abstract = {In order to test whether lignin fluorescence originates from discrete fluorophores, fluorescence emission spectra of the lignin model dehydrogenative polymer (DHP) were analyzed by the band deconvolution method and time-resolved analysis of both the excitation and emission spectra. Two series of 22 fluorescence emission spectra of DHP in chloroform/methanol (3:1, v/v) solution, and as a solid suspension in water, were deconvoluted into three fluorescence and one Raman Gaussian components. Emission spectra were obtained by stepwise variation of the excitation wavelength from 360 to 465 nm. Deconvolution was performed by nonlinear fitting of all three Gaussian parameters: area, width and position. Position of all components in a series was treated as a random variable and its approximate probability distribution (APD) calculated from a series of histograms with increasing number of abscissa intervals. A five peak multimodal APD profile was obtained for both series of DHP emission spectra. The mean fluorescence lifetime varied with wavelength both in the emission and the excitation decay-associated spectra (DAS), where four kinetic components were resolved. The shapes of the excitation spectra of the four components were quite different and gradually shifted bathochromically. The multicomponent nature of the DHP emission spectra along with the changes in the mean fluorescence lifetime and the form of the excitation DAS of the four components give evidence of the heterogeneous origin of fluorescent species emitting in the visible. © 2005 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In order to test whether lignin fluorescence originates from discrete fluorophores, fluorescence emission spectra of the lignin model dehydrogenative polymer (DHP) were analyzed by the band deconvolution method and time-resolved analysis of both the excitation and emission spectra. Two series of 22 fluorescence emission spectra of DHP in chloroform/methanol (3:1, v/v) solution, and as a solid suspension in water, were deconvoluted into three fluorescence and one Raman Gaussian components. Emission spectra were obtained by stepwise variation of the excitation wavelength from 360 to 465 nm. Deconvolution was performed by nonlinear fitting of all three Gaussian parameters: area, width and position. Position of all components in a series was treated as a random variable and its approximate probability distribution (APD) calculated from a series of histograms with increasing number of abscissa intervals. A five peak multimodal APD profile was obtained for both series of DHP emission spectra. The mean fluorescence lifetime varied with wavelength both in the emission and the excitation decay-associated spectra (DAS), where four kinetic components were resolved. The shapes of the excitation spectra of the four components were quite different and gradually shifted bathochromically. The multicomponent nature of the DHP emission spectra along with the changes in the mean fluorescence lifetime and the form of the excitation DAS of the four components give evidence of the heterogeneous origin of fluorescent species emitting in the visible. © 2005 Elsevier B.V. All rights reserved.
Stojković, I; Hosseinmardi, A; Jugović, D; Mitrić, M; Cvjetićanin, N
Rapid synthesis of LiCr0.15Mn1.85O4 by glycine-nitrate method Journal Article
In: Solid State Ionics, vol. 177, no. 9-10, pp. 847-850, 2006.
@article{Stojković2006847,
title = {Rapid synthesis of LiCr0.15Mn1.85O4 by glycine-nitrate method},
author = {I Stojković and A Hosseinmardi and D Jugović and M Mitrić and N Cvjetićanin},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33748196582&doi=10.1016%2fj.ssi.2006.02.013&partnerID=40&md5=fc460e8a5e6386980a11d163ffd75439},
doi = {10.1016/j.ssi.2006.02.013},
year = {2006},
date = {2006-01-01},
journal = {Solid State Ionics},
volume = {177},
number = {9-10},
pages = {847-850},
abstract = {LiCr0.15Mn1.85O4 spinel has been successfully synthesized by glycine-nitrate method (GNM). The presence of pure spinel phase was confirmed by long term XRPD measurements and the Rietveld structural refinement. Lattice parameter was estimated to be 8.2338 Å. Average particle size of prepared powder material is below 500 nm. The BET surface area is 9.6 m2 g- 1. As a cathode material for lithium batteries LiCr0.15Mn1.85O4 shows initial discharge capacity of 110 mA h g- 1 and capacity retention of 83% after 50 cycles. © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
LiCr0.15Mn1.85O4 spinel has been successfully synthesized by glycine-nitrate method (GNM). The presence of pure spinel phase was confirmed by long term XRPD measurements and the Rietveld structural refinement. Lattice parameter was estimated to be 8.2338 Å. Average particle size of prepared powder material is below 500 nm. The BET surface area is 9.6 m2 g- 1. As a cathode material for lithium batteries LiCr0.15Mn1.85O4 shows initial discharge capacity of 110 mA h g- 1 and capacity retention of 83% after 50 cycles. © 2006 Elsevier B.V. All rights reserved.
Marković, R; Pergal, M M; Baranac, M; Stanisavljev, D; Stojanović, M
An expedient solvent-free synthesis of (Z)-2-alkylidene-4-oxothiazolidine derivatives under microwave irradiation Journal Article
In: Arkivoc, vol. 2006, no. 2, pp. 83-90, 2006.
@article{Marković200683,
title = {An expedient solvent-free synthesis of (Z)-2-alkylidene-4-oxothiazolidine derivatives under microwave irradiation},
author = {R Marković and M M Pergal and M Baranac and D Stanisavljev and M Stojanović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-29944438563&partnerID=40&md5=8c56f1562049f8bbdce91e942829079f},
year = {2006},
date = {2006-01-01},
journal = {Arkivoc},
volume = {2006},
number = {2},
pages = {83-90},
abstract = {A new and efficient microwave-assisted synthesis of (Z)-2-alkylidene-4- oxothiazolidine derivatives 4 under solvent-free conditions and without solid support, is described. In comparison to conventional technique, experimental evidence reveals the benefits of the MW-promoted synthesis of functionalized 4-oxothiazolidine derivatives 4 in terms of simple workup, efficiency and safe reproducibility. The method, as environmentally cleaner, was shown to be potentially applicable to similar chemical processes, such as the preparation of not easily obtainable 4-oxo-1,3-thiazinan-2-ylidene derivative 6. ©ARKAT.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A new and efficient microwave-assisted synthesis of (Z)-2-alkylidene-4- oxothiazolidine derivatives 4 under solvent-free conditions and without solid support, is described. In comparison to conventional technique, experimental evidence reveals the benefits of the MW-promoted synthesis of functionalized 4-oxothiazolidine derivatives 4 in terms of simple workup, efficiency and safe reproducibility. The method, as environmentally cleaner, was shown to be potentially applicable to similar chemical processes, such as the preparation of not easily obtainable 4-oxo-1,3-thiazinan-2-ylidene derivative 6. ©ARKAT.
Kolar-Anić, L; Blagojević, S; Pejić, N; Begović, N; Blagojević, S; Anić, S
New evidence of transient complex oscillations in a closed, well-stirred Belousov-Zhabotinsky system Journal Article
In: Journal of the Serbian Chemical Society, vol. 71, no. 6, pp. 605-612, 2006.
@article{Kolar-Anić2006605,
title = {New evidence of transient complex oscillations in a closed, well-stirred Belousov-Zhabotinsky system},
author = {L Kolar-Anić and S Blagojević and N Pejić and N Begović and S Blagojević and S Anić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33748932886&doi=10.2298%2fJSC0606605K&partnerID=40&md5=ae5eba413706e0798c9eda543a08b5f3},
doi = {10.2298/JSC0606605K},
year = {2006},
date = {2006-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {71},
number = {6},
pages = {605-612},
abstract = {Some new experimental evidence of complex irregular oscillations in the Belousov-Zhabotinsky reaction realized in a batch reactor is presented. The results were obtained under relatively low cerium and malonic acid concentrations. One-dimensional maps were used for general discussion, and, particularly, for the influence of noise on the evolution of the oscillations.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Some new experimental evidence of complex irregular oscillations in the Belousov-Zhabotinsky reaction realized in a batch reactor is presented. The results were obtained under relatively low cerium and malonic acid concentrations. One-dimensional maps were used for general discussion, and, particularly, for the influence of noise on the evolution of the oscillations.
Perić, M; Gutman, I; Radić-Perić, J
The Hückel total π-electron energy puzzle Journal Article
In: Journal of the Serbian Chemical Society, vol. 71, no. 7, pp. 771-783, 2006.
@article{Perić2006771,
title = {The Hückel total π-electron energy puzzle},
author = {M Perić and I Gutman and J Radić-Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33751430459&doi=10.2298%2fJSC0607771P&partnerID=40&md5=6c20a7507805f43762e119fe1a78ced5},
doi = {10.2298/JSC0607771P},
year = {2006},
date = {2006-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {71},
number = {7},
pages = {771-783},
abstract = {In spite of being based on drastic simplifications, the Hückel molecular orbital (HMO) quantum-mechanical model provides a reasonably good description of the properties of π-electrons in conjugated molecules. The HMO approach is found to be particularly successful in the case of the total π-electron energy (E), by means of which it is possible to calculate enthalpies of formation and similar thermodynamic characteristics of conjugated compounds. In this paper it is shown that expressions equivalent to E can be deduced within much more accurate quantum mechanical considerations. This might explain why E agrees so well with experimental findings.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In spite of being based on drastic simplifications, the Hückel molecular orbital (HMO) quantum-mechanical model provides a reasonably good description of the properties of π-electrons in conjugated molecules. The HMO approach is found to be particularly successful in the case of the total π-electron energy (E), by means of which it is possible to calculate enthalpies of formation and similar thermodynamic characteristics of conjugated compounds. In this paper it is shown that expressions equivalent to E can be deduced within much more accurate quantum mechanical considerations. This might explain why E agrees so well with experimental findings.
Giese, K; Petković, M; Naundorf, H; Kühn, O
Multidimensional quantum dynamics and infrared spectroscopy of hydrogen bonds Journal Article
In: Physics Reports, vol. 430, no. 4, pp. 211-276, 2006.
@article{Giese2006211,
title = {Multidimensional quantum dynamics and infrared spectroscopy of hydrogen bonds},
author = {K Giese and M Petković and H Naundorf and O Kühn},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33745493768&doi=10.1016%2fj.physrep.2006.04.005&partnerID=40&md5=9c92cb1ab3f060d136cba97449c22be7},
doi = {10.1016/j.physrep.2006.04.005},
year = {2006},
date = {2006-01-01},
journal = {Physics Reports},
volume = {430},
number = {4},
pages = {211-276},
abstract = {Hydrogen bonds are of outstanding importance for many processes in Chemistry, Biology, and Physics. From the theoretical perspective the small mass of the proton in a hydrogen bond makes it the primary quantum nucleus and the phenomena one expects to surface in a particular clear way are, for instance, zero-point energy effects, quantum tunneling, or coherent wave packet dynamics. While this is well established in the limit of one-dimensional motion, the details of the multidimensional aspects of the dynamics of hydrogen bonds are just becoming accessible to experiments and numerical simulations. In this review we discuss the theoretical treatment of multidimensional quantum dynamics of hydrogen-bonded systems in the context of infrared spectroscopy. Here, the multidimensionality is reflected in the complex shape of linear infrared absorption spectra which is related to combination transitions and resonances, but also to mode-selective tunneling splittings. The dynamics underlying these spectra can be unravelled by means of time-resolved nonlinear infrared spectroscopy. As a fundamental theoretical ingredient we outline the generation of potential energy surfaces for gas and condensed phase nonreactive and reactive systems. For nonreactive anharmonic vibrational dynamics in the vicinity of a minimum geometry, expansions in terms of normal mode coordinates often provide a reasonable description. For reactive dynamics one can resort to reaction surface ideas, that is, a combination of large amplitude motion of the reactive coordinates and orthogonal harmonic motion of the remaining coordinates. For isolated systems, dynamics and spectroscopy follow from the time-dependent Schrödinger equation. Here, the multiconfiguration time-dependent Hartree method is shown to allow for describing the correlated dynamics of many degrees of freedom. Classical trajectory based methods are also discussed as an alternative to quantum dynamics. Their merits and shortcomings are scrutinized in the context of incorporating tunneling effects in the calculation of spectra. For the condensed phase, reduced density operator based approaches such as the quantum master equation are introduced to properly account for the energy and phase relaxation processes due to the interaction of the hydrogen bond with its surroundings. © 2006.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hydrogen bonds are of outstanding importance for many processes in Chemistry, Biology, and Physics. From the theoretical perspective the small mass of the proton in a hydrogen bond makes it the primary quantum nucleus and the phenomena one expects to surface in a particular clear way are, for instance, zero-point energy effects, quantum tunneling, or coherent wave packet dynamics. While this is well established in the limit of one-dimensional motion, the details of the multidimensional aspects of the dynamics of hydrogen bonds are just becoming accessible to experiments and numerical simulations. In this review we discuss the theoretical treatment of multidimensional quantum dynamics of hydrogen-bonded systems in the context of infrared spectroscopy. Here, the multidimensionality is reflected in the complex shape of linear infrared absorption spectra which is related to combination transitions and resonances, but also to mode-selective tunneling splittings. The dynamics underlying these spectra can be unravelled by means of time-resolved nonlinear infrared spectroscopy. As a fundamental theoretical ingredient we outline the generation of potential energy surfaces for gas and condensed phase nonreactive and reactive systems. For nonreactive anharmonic vibrational dynamics in the vicinity of a minimum geometry, expansions in terms of normal mode coordinates often provide a reasonable description. For reactive dynamics one can resort to reaction surface ideas, that is, a combination of large amplitude motion of the reactive coordinates and orthogonal harmonic motion of the remaining coordinates. For isolated systems, dynamics and spectroscopy follow from the time-dependent Schrödinger equation. Here, the multiconfiguration time-dependent Hartree method is shown to allow for describing the correlated dynamics of many degrees of freedom. Classical trajectory based methods are also discussed as an alternative to quantum dynamics. Their merits and shortcomings are scrutinized in the context of incorporating tunneling effects in the calculation of spectra. For the condensed phase, reduced density operator based approaches such as the quantum master equation are introduced to properly account for the energy and phase relaxation processes due to the interaction of the hydrogen bond with its surroundings. © 2006.
Ciric-Marjanovic, G; Trchová, M; Stejskal, J
MNDO-PM3 study of the early stages of the chemical oxidative polymerization of aniline Journal Article
In: Collection of Czechoslovak Chemical Communications, vol. 71, no. 10, pp. 1407-1426, 2006.
@article{Ciric-Marjanovic20061407,
title = {MNDO-PM3 study of the early stages of the chemical oxidative polymerization of aniline},
author = {G Ciric-Marjanovic and M Trchová and J Stejskal},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33750695674&doi=10.1135%2fcccc20061407&partnerID=40&md5=46ef922050907d8092f1f0d8620668aa},
doi = {10.1135/cccc20061407},
year = {2006},
date = {2006-01-01},
journal = {Collection of Czechoslovak Chemical Communications},
volume = {71},
number = {10},
pages = {1407-1426},
abstract = {The theoretical approach to the study of aniline polymerization mechanism has been based on the MNDO-PM3 semi-empirical quantum chemical computations of the heat of formation of aniline dimer and trimer intermediates. The oxidation in aqueous medium without added acid is analyzed. The aniline nitrenium cation is proposed to be the reactive electrophilic species generated by the oxidation of aniline with a two-electron oxidant, ammonium peroxydisulfate, in the initiation phase. 4-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,4-benzoquinonediimine, are the main dimeric products. 2-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,2- benzoquinonediimine, are the most important side products of aniline dimerization. The influence of protonation on the oxidizability of aniline and reaction intermediates was studied. The dominant aniline oligomers have been shown to be linear as well as branched. The importance of reactivity difference between fully oxidized aniline oligomers composed of odd or even numbers of constitutional aniline units is pointed out. The species with odd numbers of aniline units, having nitrenium cationic nature, are much more reactive. The oxidation combined with intramolecular cyclization reaction pathways leads to substituted phenazines, characteristic of two-dimensional PANI chain-growth. © 2006 Institute of Organic Chemistry and Biochemistry.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The theoretical approach to the study of aniline polymerization mechanism has been based on the MNDO-PM3 semi-empirical quantum chemical computations of the heat of formation of aniline dimer and trimer intermediates. The oxidation in aqueous medium without added acid is analyzed. The aniline nitrenium cation is proposed to be the reactive electrophilic species generated by the oxidation of aniline with a two-electron oxidant, ammonium peroxydisulfate, in the initiation phase. 4-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,4-benzoquinonediimine, are the main dimeric products. 2-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,2- benzoquinonediimine, are the most important side products of aniline dimerization. The influence of protonation on the oxidizability of aniline and reaction intermediates was studied. The dominant aniline oligomers have been shown to be linear as well as branched. The importance of reactivity difference between fully oxidized aniline oligomers composed of odd or even numbers of constitutional aniline units is pointed out. The species with odd numbers of aniline units, having nitrenium cationic nature, are much more reactive. The oxidation combined with intramolecular cyclization reaction pathways leads to substituted phenazines, characteristic of two-dimensional PANI chain-growth. © 2006 Institute of Organic Chemistry and Biochemistry.
Kuntić, V; Stanojević, M; Holclajtner-Antunović, I; Uskoković-Marković, S; Mioč, U; Todorović, M; Jovanović, T; Vukojević, V
Synthesis, characterization, and biological activity of amino acid derivatives of the heteropolytungstophosphoric acid Journal Article
In: Monatshefte fur Chemie, vol. 137, no. 6, pp. 803-810, 2006.
@article{Kuntić2006803,
title = {Synthesis, characterization, and biological activity of amino acid derivatives of the heteropolytungstophosphoric acid},
author = {V Kuntić and M Stanojević and I Holclajtner-Antunović and S Uskoković-Marković and U Mioč and M Todorović and T Jovanović and V Vukojević},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33745013371&doi=10.1007%2fs00706-006-0467-3&partnerID=40&md5=992c1933966e242b92968333eb500067},
doi = {10.1007/s00706-006-0467-3},
year = {2006},
date = {2006-01-01},
journal = {Monatshefte fur Chemie},
volume = {137},
number = {6},
pages = {803-810},
abstract = {Compounds of phosphotungstic acid (WPA) containing the amino acids alanine (WPA-Ala) or glycine (WPA-Gly) as counter cations were synthesized and characterized by elemental analysis, thermal analysis, and IR spectroscopy. Cellular toxicity was assessed by the trypan blue exclusion method, and the antiviral activity of WPA and the modified WPA compounds was tested against herpes simplex viruses (HSV) type 1 and type 2. Biological assays indicate that the newly synthesized compounds exhibit no evident cytotoxic effects on Vero cells and negligible antiviral activity against HSV-1 and HSV-2. © Springer-Verlag 2006.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Compounds of phosphotungstic acid (WPA) containing the amino acids alanine (WPA-Ala) or glycine (WPA-Gly) as counter cations were synthesized and characterized by elemental analysis, thermal analysis, and IR spectroscopy. Cellular toxicity was assessed by the trypan blue exclusion method, and the antiviral activity of WPA and the modified WPA compounds was tested against herpes simplex viruses (HSV) type 1 and type 2. Biological assays indicate that the newly synthesized compounds exhibit no evident cytotoxic effects on Vero cells and negligible antiviral activity against HSV-1 and HSV-2. © Springer-Verlag 2006.
Rac, V; Rakić, V; Gajinov, S; Dondur, V; Auroux, A
Room-temperature interaction of n-hexane with ZSM-5 zeolites : Microcalorimetric and temperature-programmed desorption studies Journal Article
In: Journal of Thermal Analysis and Calorimetry, vol. 84, no. 1, pp. 239-245, 2006.
@article{Rac2006239,
title = {Room-temperature interaction of n-hexane with ZSM-5 zeolites : Microcalorimetric and temperature-programmed desorption studies},
author = {V Rac and V Rakić and S Gajinov and V Dondur and A Auroux},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645920991&doi=10.1007%2fs10973-005-7164-z&partnerID=40&md5=9d150aba1f0fa629b94616698871145f},
doi = {10.1007/s10973-005-7164-z},
year = {2006},
date = {2006-01-01},
journal = {Journal of Thermal Analysis and Calorimetry},
volume = {84},
number = {1},
pages = {239-245},
abstract = {In this work, room temperature interaction of n-hexane with HZSM-5 (Si/Al=20) and ion-exchanged samples containing one (CuZSM-5, FeZSM-5 and MnZSM-5) or two transition-metal cations (Fe,CuZSM-5; Cu,MnZSM-5 and Fe,MnZSM-5) was studied by microcalorimetry and TPD methods. Both differential heats and the amounts of n-hexane adsorbed per one unit cell were quantitatively determined. Higher heats of adsorption and higher amounts of adsorbed gas were found for ion-exchanged samples than for HZSM-5. The experiments of n-hexane adsorption on hydrated samples were also performed. The amounts of n-hexane adsorbed on hydrated ZSM-5 were lower in comparison with dehydrated samples, while the energies of interaction were similar. © 2006 Akadémiai Kiadó.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this work, room temperature interaction of n-hexane with HZSM-5 (Si/Al=20) and ion-exchanged samples containing one (CuZSM-5, FeZSM-5 and MnZSM-5) or two transition-metal cations (Fe,CuZSM-5; Cu,MnZSM-5 and Fe,MnZSM-5) was studied by microcalorimetry and TPD methods. Both differential heats and the amounts of n-hexane adsorbed per one unit cell were quantitatively determined. Higher heats of adsorption and higher amounts of adsorbed gas were found for ion-exchanged samples than for HZSM-5. The experiments of n-hexane adsorption on hydrated samples were also performed. The amounts of n-hexane adsorbed on hydrated ZSM-5 were lower in comparison with dehydrated samples, while the energies of interaction were similar. © 2006 Akadémiai Kiadó.
Mioč, U B; Todorovič, M R; Davidovič, M; Colomban, Ph.; Holclajtner-Antunovič, I
Erratum: Heteropoly compounds-from proton conductors to biomedical agents (Solid State Ionics (2005) 176:39-40 (3005-3017)) Journal Article
In: Solid State Ionics, vol. 177, no. 5-6, pp. 623-624, 2006.
@article{Mioč2006623,
title = {Erratum: Heteropoly compounds-from proton conductors to biomedical agents (Solid State Ionics (2005) 176:39-40 (3005-3017))},
author = {U B Mioč and M R Todorovič and M Davidovič and Ph. Colomban and I Holclajtner-Antunovič},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-32644440815&doi=10.1016%2fj.ssi.2005.12.018&partnerID=40&md5=61483f3adc8979b3d8994f372acaaf36},
doi = {10.1016/j.ssi.2005.12.018},
year = {2006},
date = {2006-01-01},
journal = {Solid State Ionics},
volume = {177},
number = {5-6},
pages = {623-624},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ćirić-Marjanović, G; Trchová, M; Matějka, P; Holler, P; Marjanović, B; Juranić, I
In: Reactive and Functional Polymers, vol. 66, no. 12, pp. 1670-1683, 2006.
@article{Ćirić-Marjanović20061670,
title = {Electrochemical oxidative polymerization of sodium 4-amino-3-hydroxynaphthalene-1-sulfonate and structural characterization of polymeric products},
author = {G Ćirić-Marjanović and M Trchová and P Matějka and P Holler and B Marjanović and I Juranić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33751311045&doi=10.1016%2fj.reactfunctpolym.2006.07.002&partnerID=40&md5=cd1b197a64bb16c91c58bbd67a6d94f0},
doi = {10.1016/j.reactfunctpolym.2006.07.002},
year = {2006},
date = {2006-01-01},
journal = {Reactive and Functional Polymers},
volume = {66},
number = {12},
pages = {1670-1683},
abstract = {The new semiconducting, electroactive, water-soluble polymeric material has been synthesized by the electrochemical polymerization of sodium 4-amino-3-hydroxynaphthalene-1-sulfonate (AHNSA-Na salt), from its aqueous solution. The polymeric products were characterized by gel permeation chromatography (GPC), conductivity measurements, cyclic voltammetry, and UV-visible, FTIR, Raman, NMR ( 1 H and 13 C) and electron spin resonance (ESR) spectroscopic techniques. GPC profile evidenced chains of molecular weights up to ∼6300, and revealed oligomers (8-mer to 12-mer) as predominant species. FTIR spectroscopy findings of newly formed substitution patterns on naphthalene rings in the poly(AHNSA-Na salt) are well correlated with main coupling modes theoretically predicted by MNDO-PM3 semi-empirical quantum mechanical calculations. Based on these studies, it has been found that the poly(AHNSA-Na salt) consists mainly of dimer units formed via N-C6 and N-C8 coupling reactions. The paramagnetic nature of the poly(AHNSA-Na salt) has been proved by ESR spectroscopy, and its redox activity was confirmed by cyclic voltammetry. Intensity ratio of two new bands in the UV-visible spectrum assigned to the poly(AHNSA-Na salt) polaronic and bipolaronic forms, and the presence of naphthoiminoquinonoid and benzenoid segments detected by FTIR and Raman spectroscopy, indicate prevalence of partly and fully oxidized bipolaronic forms of the poly(AHNSA-Na salt). © 2006 Elsevier B.V. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The new semiconducting, electroactive, water-soluble polymeric material has been synthesized by the electrochemical polymerization of sodium 4-amino-3-hydroxynaphthalene-1-sulfonate (AHNSA-Na salt), from its aqueous solution. The polymeric products were characterized by gel permeation chromatography (GPC), conductivity measurements, cyclic voltammetry, and UV-visible, FTIR, Raman, NMR ( 1 H and 13 C) and electron spin resonance (ESR) spectroscopic techniques. GPC profile evidenced chains of molecular weights up to ∼6300, and revealed oligomers (8-mer to 12-mer) as predominant species. FTIR spectroscopy findings of newly formed substitution patterns on naphthalene rings in the poly(AHNSA-Na salt) are well correlated with main coupling modes theoretically predicted by MNDO-PM3 semi-empirical quantum mechanical calculations. Based on these studies, it has been found that the poly(AHNSA-Na salt) consists mainly of dimer units formed via N-C6 and N-C8 coupling reactions. The paramagnetic nature of the poly(AHNSA-Na salt) has been proved by ESR spectroscopy, and its redox activity was confirmed by cyclic voltammetry. Intensity ratio of two new bands in the UV-visible spectrum assigned to the poly(AHNSA-Na salt) polaronic and bipolaronic forms, and the presence of naphthoiminoquinonoid and benzenoid segments detected by FTIR and Raman spectroscopy, indicate prevalence of partly and fully oxidized bipolaronic forms of the poly(AHNSA-Na salt). © 2006 Elsevier B.V. All rights reserved.
Dragović, S; Janković, Lj.; Onjia, A; Bačić, G
Distribution of primordial radionuclides in surface soils from Serbia and Montenegro Journal Article
In: Radiation Measurements, vol. 41, no. 5, pp. 611-616, 2006.
@article{Dragović2006611,
title = {Distribution of primordial radionuclides in surface soils from Serbia and Montenegro},
author = {S Dragović and Lj. Janković and A Onjia and G Bačić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33646895443&doi=10.1016%2fj.radmeas.2006.03.007&partnerID=40&md5=117ebb557d2ccb53d32c575883295a0a},
doi = {10.1016/j.radmeas.2006.03.007},
year = {2006},
date = {2006-01-01},
journal = {Radiation Measurements},
volume = {41},
number = {5},
pages = {611-616},
abstract = {The specific activities of primordial radionuclides in soil samples from 21 different locations in Serbia and Montenegro were determined by gamma-ray spectrometry. The results obtained were compared with those from other studies conducted worldwide. Concentrations of radionuclides in soils analyzed in this study ranged from 1.28 to 4.80 ppm for uranium, from 5.26 to 19.0 ppm for thorium, and from 0.97% to 2.87% for potassium. The mean concentrations of U (2.76 ppm) and Th (10.4 ppm) are similar to the world average (2.64 and 11.1 ppm for U and Th, respectively), whereas the mean concentration of K (1.98%) is about 1.4 times higher than world average value (1.37%). © 2006 Elsevier Ltd. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The specific activities of primordial radionuclides in soil samples from 21 different locations in Serbia and Montenegro were determined by gamma-ray spectrometry. The results obtained were compared with those from other studies conducted worldwide. Concentrations of radionuclides in soils analyzed in this study ranged from 1.28 to 4.80 ppm for uranium, from 5.26 to 19.0 ppm for thorium, and from 0.97% to 2.87% for potassium. The mean concentrations of U (2.76 ppm) and Th (10.4 ppm) are similar to the world average (2.64 and 11.1 ppm for U and Th, respectively), whereas the mean concentration of K (1.98%) is about 1.4 times higher than world average value (1.37%). © 2006 Elsevier Ltd. All rights reserved.