FFH scientific research papers database
FFH database search (1991-2022):
Millić, D R; Opsenica, D M; Adnadević, B; Šolaja, B A
NaY zeolite: A useful catalyst for nitrile hydrolysis Journal Article
In: Molecules, vol. 5, no. 2, pp. 118-126, 2000.
@article{Millić2000118,
title = {NaY zeolite: A useful catalyst for nitrile hydrolysis},
author = {D R Millić and D M Opsenica and B Adnadević and B A Šolaja},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0000989156&partnerID=40&md5=3b03a958b4c375bb5ece6028920a45e1},
year = {2000},
date = {2000-01-01},
journal = {Molecules},
volume = {5},
number = {2},
pages = {118-126},
abstract = {The NaY zeolite catalysed hydrolysis of nitriles to primary amides is reported. It is found that aryl nitriles with strong electron-withdrawing substituents and cyanopyridines are readily hydrolysed in the water suspension, while aliphatic nitriles do not react.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Mioč, U B; Todorović, M; Uskoković-Marković, S; Nedić, Z; Stamenković, V; Čajkovski, T
Structural modifications of Cu(II) 12-tungstophosphoric acid salit studied by IR and Raman spectroscopy Journal Article
In: Journal of the Serbian Chemical Society, vol. 65, no. 5-6, pp. 407-415, 2000.
@article{Mioč2000407,
title = {Structural modifications of Cu(II) 12-tungstophosphoric acid salit studied by IR and Raman spectroscopy},
author = {U B Mioč and M Todorović and S Uskoković-Marković and Z Nedić and V Stamenković and T Čajkovski},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034361504&partnerID=40&md5=d543fba5bdad66607f63e21c4d4dfe5a},
year = {2000},
date = {2000-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {65},
number = {5-6},
pages = {407-415},
abstract = {In this paper local processes and structural phase transformations of the copper salt of 12-tungstophosphoric acid are investigated. The structural phase transformations were followed through bands, characteristic for the host lattice, in the IR and Raman spectra. The results of these investigations, as well as those of XRPD analysis and impedance measurements as a function of temperature show that some local processes provoke the change in the secondary structure of the Keggin anions.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perić, M; Grein, F; Hachey, M R J
In: Journal of Chemical Physics, vol. 113, no. 20, pp. 9011-9021, 2000.
@article{Perić20009011,
title = {Ab initio study of the role of vibronic coupling in the ultraviolet valence/Rydberg spectrum of formaldehyde: Handling of vibronic interaction between three electronic states},
author = {M Perić and F Grein and M R J Hachey},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034316903&doi=10.1063%2f1.1319645&partnerID=40&md5=464e824639f800e8e68a43edd8ba6c60},
doi = {10.1063/1.1319645},
year = {2000},
date = {2000-01-01},
journal = {Journal of Chemical Physics},
volume = {113},
number = {20},
pages = {9011-9021},
abstract = {Two approaches were developed to calculate vibronic coupling between three electronic states: the first one is based on adiabatic potential, the other on diabatic ones. The methods were applied to the three lowest excited 1A1 states of formaldehyde, coupled through the C-O stretch vibrational mode. Using expansions of sufficient length, excellent agreement between vibrational energies calculated independently by the two approaches were obtained. Similarly good agreement was found for the calculated transition moments.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Pješčić, M G; Veselinović, D S; Komnenić, V P; Drašković, I V
An investigation of the Fe3+-sulphonated pyrogallol system in aqueous solutions Journal Article
In: Journal of the Serbian Chemical Society, vol. 65, no. 4, pp. 255-263, 2000.
@article{Pješčić2000255,
title = {An investigation of the Fe3+-sulphonated pyrogallol system in aqueous solutions},
author = {M G Pješčić and D S Veselinović and V P Komnenić and I V Drašković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034386742&partnerID=40&md5=ebb6fdb45b52206a04ab96420bfa871a},
year = {2000},
date = {2000-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {65},
number = {4},
pages = {255-263},
abstract = {The electrochemical behaviour of the Fe3+ -sulphonated pyrogallol (SP) complex was investigated and its composition and stability constants were determinated at pH 2.30. It was found by voltammetric and spectrophotometric measurements that Fe3+ and SP form a complex of the ML2 type, which is relatively stable during the first 30 minutes. The optimal pH value for complex formation is between 2.30 and 2.80. The relative stability constants determined by voltammetric and spectrophotometric measurements are log β2 = 5.08 ±0.26 and log β2 = 6.31 ±0.04, respectively.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perić, M; Krmar, M; Radić-Perić, J; Hanrath, M
Ab initio investigation of the ··· πg2 (Χ3Σg−, 11Δg, 11Σg+) electronic states of ncn study of the renner-teller effect in the 11Δg state Journal Article
In: Journal of Molecular Spectroscopy, vol. 204, no. 2, pp. 226-234, 2000.
@article{Perić2000226,
title = {Ab initio investigation of the ··· πg2 (Χ3Σg−, 11Δg, 11Σg+) electronic states of ncn study of the renner-teller effect in the 11Δg state},
author = {M Perić and M Krmar and J Radić-Perić and M Hanrath},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034352239&doi=10.1006%2fjmsp.2000.8222&partnerID=40&md5=deb6d706408f82f1a7ef1c780b2a5d74},
doi = {10.1006/jmsp.2000.8222},
year = {2000},
date = {2000-01-01},
journal = {Journal of Molecular Spectroscopy},
volume = {204},
number = {2},
pages = {226-234},
abstract = {Large-scale CI calculations are carried out to obtain accurate potential energy surfaces for the ··· πg2 manifold (Χ3Σg−, 11Δg, 11Σg+) of electronic states of NCN. Separation of the low-lying singlet states from the triplet ground state is computed in close agreement with the results of a recent photoelectron study by T. R. Taylor, R. T. Bise, K. R. Asmis, and D. M. Neumark [Chem. Phys. Lett. 301, 413-416 (1999)]. Vibronic coupling (Renner-Teller effect) in the 11Δg state is studied by means of a perturbative and a variational approach. Results of the present ab initio study confirm explicitly the ρ4 dependence postulated for the splitting of bending potential curves in Δ electronic states at small deviations from linearity. © 2000 Academic Press.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Miljanić, S S; Golobočanin, D D
A simplified approach to the vibrational self-relaxation of simple molecules through convolution of their velocities Journal Article
In: Journal of the Serbian Chemical Society, vol. 65, no. 5-6, pp. 361-369, 2000.
@article{Miljanić2000361,
title = {A simplified approach to the vibrational self-relaxation of simple molecules through convolution of their velocities},
author = {S S Miljanić and D D Golobočanin},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034360685&partnerID=40&md5=42d12d0b49e2cbcd6a9ca6505b2a82b9},
year = {2000},
date = {2000-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {65},
number = {5-6},
pages = {361-369},
abstract = {A theoretical approach has been developed for computing collisional self-relaxation probabilities of the first excited level in the lowest vibrational mode of simple molecules. The bending (V2) vibration in triatomic molecules, in which the average translational and rotational velocities are of the same order of magnitude, was examined. The approach was based on the assumption that both the velocities should be taken into account as a convolution of the corresponding Maxwell's distribution functions. The model was checked for the SO2 molecule in the temperature range from 130-1100 K. The calculated temperature dependence curve (the Landau-Teller plot) exhibits a minimum at about 150 K. The data obtained is discussed in relation to some experimental results. The comparison indicates that the problem was treated in correct manner. Some additional aspects of the relaxation, like intermolecular interactions and the steric factor, are also briefly considered. It is believed that this approach offers quite a good basis for further improvements of theoretical treatments.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sovilj, S P; Vučković, G; Leovac, V M; Minić, D M
Dinuclear copper(II) complexes of N,N′,N′,N‴-Tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclote tradecane and some N,S or N,O Bidentate Ligands Journal Article
In: Polish Journal of Chemistry, vol. 74, no. 7, pp. 945-954, 2000.
@article{Sovilj2000945,
title = {Dinuclear copper(II) complexes of N,N′,N′,N‴-Tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclote tradecane and some N,S or N,O Bidentate Ligands},
author = {S P Sovilj and G Vučković and V M Leovac and D M Minić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034343392&partnerID=40&md5=6ecb0f53c5f35c87f98f905747db3ca2},
year = {2000},
date = {2000-01-01},
journal = {Polish Journal of Chemistry},
volume = {74},
number = {7},
pages = {945-954},
abstract = {Four new mixed complexes of Cu(II) with tpmc (N,N′,N″,N‴-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclot etradecane) and bridged bound N,S or N,O ligands of the general formula [Cu 2 (X)tpmc](ClO 4 ) 4 , where X = thiosemicarbazide (tsc), semicarbazide (sc), thiourea (tu) or urea (u), were prepared. Elemental and thermal analyses, conductometric and magnetic measurements, electronic. IR and mass spectroscopy have been employed. The molar conductivity values in acetonitrile show a behavior of 1:4 electrolytes. IR studies clearly indicate that X ligand is coordinated via N, S (tsc and tu) or N, O (sc and u) atoms, acting as bidentate bridging ligands. An exo coordination of Cu(II) ions and tpmc was proposed. Thermal decomposition of the complexes was performed. The mass decomposition pathways are proposed. Finally, the obtained complexes exhibit microbiological activity against some bacteria.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Radotić, K; Tasić, M; Jeremić, M; Budimlija, Z; Simić-Krstić, J; Polzović, A; Božović, Z
Fractal analysis of STM images of lignin polymer obtained by in vitro synthesis Journal Article
In: General Physiology and Biophysics, vol. 19, no. 2, pp. 171-180, 2000.
@article{Radotić2000171,
title = {Fractal analysis of STM images of lignin polymer obtained by in vitro synthesis},
author = {K Radotić and M Tasić and M Jeremić and Z Budimlija and J Simić-Krstić and A Polzović and Z Božović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034208557&partnerID=40&md5=954ffd6eb61d2639c940cadb82515bb2},
year = {2000},
date = {2000-01-01},
journal = {General Physiology and Biophysics},
volume = {19},
number = {2},
pages = {171-180},
abstract = {Lignin, the structural polymer of the plant cell walls, is produced by free radical polymerization of phenolic alcohols, catalyzed by different peroxidases. The mechanism and the structural organization of lignin in the cell have not been completely understood. In this study we applied fractal analysis to images of lignin polymer obtained using scanning tunneling microscope. The analysis showed the regularity of the polymer at different levels of organization. According to the results obtained, at the 95% confidence level, there is no significant difference in the fractal dimension between images representing different organizational levels of lignin. In other words, lignin produced in in vitro conditions has fractal structural organization and, consequently the polymer can be expected to be regular in in vivo conditions. The value of the fractal dimension 1.929 ± 0.021 is in good agreement with the theoretically predicted value for polyaddition and polycondensation mechanism of polymerization. The mechanism of in vivo lignin synthesis is discussed in terms of various experimental and theoretical evidences. In this paper, we could show that fractal analysis of the lignin polymer is a useful complementary approach to the experimental data collection in structural and phenomenological studies.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bošković, S; Kosanović, D; Dondur, V; Dimitrijević, R
Synthesis of Si3N4-celsian composite materials Journal Article
In: Ceramics International, vol. 26, no. 1, pp. 33-37, 2000.
@article{Bošković200033,
title = {Synthesis of Si3N4-celsian composite materials},
author = {S Bošković and D Kosanović and V Dondur and R Dimitrijević},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034460960&doi=10.1016%2fS0272-8842%2899%2900016-4&partnerID=40&md5=7760b56ceb296f3a1433e573864a6a32},
doi = {10.1016/S0272-8842(99)00016-4},
year = {2000},
date = {2000-01-01},
journal = {Ceramics International},
volume = {26},
number = {1},
pages = {33-37},
abstract = {The synthesis of Si3N4-celsian composite materials was studied in this paper. To obtain celsian, two different types of additives were used. In the first case the appropriate mixture of BaCO3, Al2O3 and SiO2 was added to Si3N4, while in the second case a Ba-A-zeolite, previously heated at 850 °C, was used as an additive. Mixtures of Si3N4 and the sintering aids were homogenized in a vibratory mill in the presence of isopropanol. The green bodies were pressurelessly sintered in nitrogen atmosphere at temperatures of 1650-1750 °C. Densification degree was followed, as well as microstructural changes, as a function of the sintering conditions and the additive used. Reaction of BAS formation was followed by X-ray analysis during the heating up period. It was found that with 10% zeolite as a sintering aid, full densification was achieved at 1750 °C but with the same amount of oxide mixture, only 96% TD was attained. Phase changes were followed also during cooling down the samples from sintering temperature. Two crystalline phases, β-Si3N4 and hexacelsian, were present in both types of sintered samples.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Miljanić, Š S; Stojić, D L J; Jakšić, M M
The cost reduction of electrolytically produced heavy water and hydrogen in the context of some new process parameters Journal Article
In: Chemical Industry and Chemical Engineering Quarterly, vol. 6, no. 1, pp. 116-122, 2000.
@article{Miljanić2000116,
title = {The cost reduction of electrolytically produced heavy water and hydrogen in the context of some new process parameters},
author = {Š S Miljanić and D L J Stojić and M M Jakšić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85034429722&partnerID=40&md5=e18cf501266ce2aa3ecbe957c2ca9379},
year = {2000},
date = {2000-01-01},
journal = {Chemical Industry and Chemical Engineering Quarterly},
volume = {6},
number = {1},
pages = {116-122},
abstract = {Hydrogen is an extremely important material, which is commonly used in many industrial processes in huge quantities, while its heavy isotopes, deuterium (D) as heavy water, and tritium (T) have great significance for nuclear energetics. Thus, improvements in their production are always of interest. Electrolysis (sometimes in combination with other methods) is often used for heavy water production or re-enrichment. It is a high energy consuming method at the same time with high isotope separation factors. An efficient way to achieve both, energy savings and a significant increase of the HID separation factors simultaneously, is applying water electrolysis from alkaline solutions, using catalytic cathode materials made from hypo-hyper-d-electronic combinations of transition metals and electrode in situ activation with tris-(ethylenediamine)-Co(III)-chloride complex. The appropriate conditions were investigated in this study. The dependence of isotope enrichment on the amount of water that must be electrolyzed was calculated using the Rayleigh equation. From that dependence the amounts for obtaining pure heavy water, i.e the corresponding energy savings, were estimated for different values of the separation factor, along with the minimum number of electrolytic stages in an enriching cascade. The method is discussed in a context that assumes heavy water as a by-product of hydrogen/oxygen generation, being an energy storage medium in a certain electroenergetic system during periods of the day when the consumption of energy from the system is reduced. This could be of importance for countries with a high percent of nuclear energy in the system, to avoid plant power reduction. If the discussed conditions are applied, hydrogen/oxygen can be produced at a reduced cost, delivering a D-enriched electrolyte to the subsequent heavy water production cascade. © 2017, CI and CEQ. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Mičič, M; Jeremič, M; Radotič, K; Mavers, M; Leblanc, R M
Visualization of artificial lignin supramolecular structures Journal Article
In: Scanning, vol. 22, no. 5, pp. 288-294, 2000.
@article{Mičič2000288,
title = {Visualization of artificial lignin supramolecular structures},
author = {M Mičič and M Jeremič and K Radotič and M Mavers and R M Leblanc},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034488288&doi=10.1002%2fsca.4950220503&partnerID=40&md5=06117c4bc3f721ddb4fbc4a8913649d8},
doi = {10.1002/sca.4950220503},
year = {2000},
date = {2000-01-01},
journal = {Scanning},
volume = {22},
number = {5},
pages = {288-294},
abstract = {In this paper we are presenting the results of our environmental scanning electron microscopy (ESEM) investigation of the lignin model compound - enzymatically polymerized coniferyl alcohol, also known as dehydrogenate polymer (DHP). The goals of this study were to visualize the supramolecular organization of DHP polymer on various substrates, namely graphite, mica, and glass, and to explore the influence of substrate surface properties and associated collective phenomena on the lignin self-assembled supramolecular structure. Based on results obtained with ESEM, combined with previously published results based on scanning tunneling microscopy (STM) and electron spin resonance (ESR) technique, we looked at lignin structure ranging from a monomer on a fraction of nanometer scale to a large aggregate on a fraction of millimeter scale, therefore using six orders of magnitude range of size. Herein, we are presenting evidence that there are at least four different levels of the supramolecular structure of lignin, and that its supramolecular organization is well dependent on the substrate surface characteristics, such as hydrophobicity, delocalized orbitals, and surface-free energy.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Gutman, I; Koolen, J H; Moulton, V; Parac, M; Soldatović, T; Vidović, D
Estimating and approximating the total π-electron energy of benzenoid hydrocarbons Journal Article
In: Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, vol. 55, no. 5, pp. 507-512, 2000.
@article{Gutman2000507,
title = {Estimating and approximating the total π-electron energy of benzenoid hydrocarbons},
author = {I Gutman and J H Koolen and V Moulton and M Parac and T Soldatović and D Vidović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0039608419&doi=10.1515%2fzna-2000-0506&partnerID=40&md5=a3943b8b62ccce212311c92eeb979993},
doi = {10.1515/zna-2000-0506},
year = {2000},
date = {2000-01-01},
journal = {Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences},
volume = {55},
number = {5},
pages = {507-512},
abstract = {Lower and upper bounds as well as approximate formulas for the total π-electron energy (E) of benzenoid hydrocarbons are deduced, depending only on the number of carbon atoms (n) and number of carbon-carbon bonds (m). These are better than the several previously known (n, m)-type estimates and approximations for E.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Micic, M; Markovic, D; Vukelic, N; Radu, A; Milosevic, B; Leblanc, R M
Environmental scanning electron microscopy study of commonly used filters substrates for the active sampling of atmospheric aerosols Journal Article
In: Fresenius Environmental Bulletin, vol. 9, no. 3-4, pp. 193-200, 2000.
@article{Micic2000193,
title = {Environmental scanning electron microscopy study of commonly used filters substrates for the active sampling of atmospheric aerosols},
author = {M Micic and D Markovic and N Vukelic and A Radu and B Milosevic and R M Leblanc},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034038939&partnerID=40&md5=2c32a325a6470e32864499a6a1d303cf},
year = {2000},
date = {2000-01-01},
journal = {Fresenius Environmental Bulletin},
volume = {9},
number = {3-4},
pages = {193-200},
abstract = {Surface topography of different kinds of commonly used atmospheric particulate matter filters has been investigated using the environmental scanning electron microscopic technique (ESEM). This new technique allows us to observe samples under controlled gaseous atmosphere without any prior preparation of the sample, i.e. coating and fixation. Herein we present comparison of topography of the most commonly used atmospheric particulate filters such as glass, nitrocellulose paper, PVC and Teflon before and after performing active sampling of atmospheric particulates.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Cvjetićanin, N; Mentus, S
Electric conductivity of gel-polymeric electrolytes with Ca, Mg and Zn perchlorate salts Journal Article
In: Journal of the Serbian Chemical Society, vol. 64, no. 2, pp. 117-122, 1999.
@article{Cvjetićanin1999117,
title = {Electric conductivity of gel-polymeric electrolytes with Ca, Mg and Zn perchlorate salts},
author = {N Cvjetićanin and S Mentus},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0040712418&partnerID=40&md5=da07acb3c3252714aae8626ebf380467},
year = {1999},
date = {1999-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {64},
number = {2},
pages = {117-122},
abstract = {The gel-polymeric electrolytes were prepared with calcium, magnesium and zinc perchlorates dissolved in propylene carbonate together with poly (acrylo nitrile) or poly(methyl methacrylate) as a solution immobilizing polymers. The electric conductivity of these electrolytes was examined in the dependence of temperature and solvent content, at a constant salt-to-polymer concentration ratio. The electrolyte compositions were outlined having the conductivity close to 10 3 S cm 1. It was demonstrated that among the factors determining the conductivity, the cation nature plays a minor role, while the dominant role plays a liquid solvent (propylene carbonate) concentration.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Simonović, B R; Mentus, S V; Šušić, M V
Examination of the kinetics of Zr1.02Ni0.98 alloy hydriding Journal Article
In: Journal of the Serbian Chemical Society, vol. 64, no. 12, pp. 745-752, 1999.
@article{Simonović1999745,
title = {Examination of the kinetics of Zr1.02Ni0.98 alloy hydriding},
author = {B R Simonović and S V Mentus and M V Šušić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033266774&partnerID=40&md5=ac4dab9142e472da2e49361c6171426e},
year = {1999},
date = {1999-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {64},
number = {12},
pages = {745-752},
abstract = {The hydriding kinetics of Zr1.02Ni0.98 alloy was examined in dependence on the number of hydriding/dehydriding cycles. The rate constants relating to three subsequent hydriding procedures of an alloy sample, at five temperatures: 423, 448, 473, 498 and 523 K, were determined. The rate constant increases, and the activation energy decreases on each repetition of the hydriding/dehydriding cycle at a given temperature. This behavior was explained by sample crushing, leading to an increase in the surface area accessible to hydrogen.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Todorović, S; Juranić, N; Macura, S; Rusnak, F
Binding of 15 N-labeled isoniazid to KatG and KatG(S315T): Use of two- spin [zz]-order relaxation rate for 15 N-fe distance determination Journal Article
In: Journal of the American Chemical Society, vol. 121, no. 47, pp. 10962-10966, 1999.
@article{Todorović199910962,
title = {Binding of 15 N-labeled isoniazid to KatG and KatG(S315T): Use of two- spin [zz]-order relaxation rate for 15 N-fe distance determination},
author = {S Todorović and N Juranić and S Macura and F Rusnak},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033485520&doi=10.1021%2fja9918674&partnerID=40&md5=f13a95d09e7fec1a676848818d7b85c0},
doi = {10.1021/ja9918674},
year = {1999},
date = {1999-01-01},
journal = {Journal of the American Chemical Society},
volume = {121},
number = {47},
pages = {10962-10966},
abstract = {Isoniazid has been used to treat tuberculosis for over 40 years, but its mechanism of action is not yet fully understood. It is known that a catalase/peroxidase KatG is required for isoniazid activation. A point mutation in KatG, KatG(S315T), is found in > 50% of isoniazid-resistant strains. In this study we have measured the distance between the 15 N labeled amide nitrogen of isoniazid and the Fe ion in the active site of KatG and KatG(S315T). The distances are found to be equal within experimental error, 3.8 ± 0.8 and 4.4 ± 0.9 Å, respectively. A new method of measuring longitudinal relaxation rates of insensitive nuclei in paramagnetic systems via zz-order is proposed. The longitudinal relaxation rate of the 15 N nucleus was obtained from the independently measured longitudinal proton relaxation rate and the longitudinal zz-order relaxation rate of scalar coupled N and H atoms. To eliminate cross-correlations of different relaxation sources, a remote proton was used to create zz-order and detect the 15 N nucleus. The obtained 15 NFe distances are significantly shorter than previously reported 1 H-Fe distances (Wengenack, N. L.; Todorovic, S.; Yu, L; Rusnak, F. Biochemistry 1998, 37, 15825), indicating that the isoniazid molecule approaches the heme Fe ion via the hydrazine nitrogen atoms. The proposed method for two-spin order relaxation measurements is quite general and can be used to probe the distance between insensitive nuclei and a paramagnetic center in various protein-substrate complexes.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Cvjetićanin, N D; Mentus, S
Conductivity, viscosity and IR spectra of Li, Na and Mg perchlorate solutions in propylene carbonate/water mixed solvents Journal Article
In: Physical Chemistry Chemical Physics, vol. 1, no. 22, pp. 5157-5161, 1999.
@article{Cvjetićanin19995157,
title = {Conductivity, viscosity and IR spectra of Li, Na and Mg perchlorate solutions in propylene carbonate/water mixed solvents},
author = {N D Cvjetićanin and S Mentus},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033571674&doi=10.1039%2fA905454E&partnerID=40&md5=8b1b2ed6dac99082ab0d71fd77afe897},
doi = {10.1039/A905454E},
year = {1999},
date = {1999-01-01},
journal = {Physical Chemistry Chemical Physics},
volume = {1},
number = {22},
pages = {5157-5161},
abstract = {The influence of water addition on the electric conductivity, viscosity and IR spectra of Mg, Li and Na perchlorate solutions in propylene carbonate (PC) was examined. Conductivity and viscosity data pointed out ion-solvent and ion-ion associations that were most pronounced in Mg(ClO 4 ) 2 solutions. IR investigations were directed towards the spectral region 1000-600 cm -1 . The changes of the ν 4 band of the perchlorate anion at 624 cm -1 and the changes of solvent bands in the spectral region 980-890 cm -1 caused by water addition to 1 M solutions indicated the formation of contact ion pairs. The appearance and increase in intensity of the otherwise IR-inactive perchlorate band at 931 cm -1 , upon water addition, was attributed to cation-H 2 O-ClO 4 - solvent shared ion pairs.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Rusnak, F; Yu, L; Todorovic, S; Mertz, P
Interaction of bacteriophage λ protein phosphatase with Mn(II): Evidence for the formation of a [Mn(II)] 2 cluster Journal Article
In: Biochemistry, vol. 38, no. 21, pp. 6943-6952, 1999.
@article{Rusnak19996943,
title = {Interaction of bacteriophage λ protein phosphatase with Mn(II): Evidence for the formation of a [Mn(II)] 2 cluster},
author = {F Rusnak and L Yu and S Todorovic and P Mertz},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033602926&doi=10.1021%2fbi982606u&partnerID=40&md5=0e8f437b768c217f7661fa6e57f648db},
doi = {10.1021/bi982606u},
year = {1999},
date = {1999-01-01},
journal = {Biochemistry},
volume = {38},
number = {21},
pages = {6943-6952},
abstract = {The interaction of bacteriophage λ protein phosphatase with Mn 2+ was studied using biochemical techniques and electron paramagnetic resonance spectrometry. Reconstitution of bacteriophage λ, protein phosphatase in the presence of excess MnCl 2 followed by rapid desalting over a gel filtration column resulted in the retention of approximately 1 equiv of Mn 2+ ion bound to the protein. This was determined by metal analyses and low-temperature EPR spectrometry, the latter of which provided evidence of a mononuclear high- spin Mn 2+ ion in a ligand environment of oxygen and nitrogen atoms. The Mn 2+ -reconstituted enzyme exhibited negligible phosphatase activity in the absence of added MnCl 2 . The EPR spectrum of the mononuclear species disappeared upon the addition of a second equivalent of Mn 2+ and was replaced by a spectrum attributed to an exchange-coupled (Mn 2+ ) 2 cluster. EPR spectra of the dinuclear (Mn 2+ ) 2 cluster were characterized by the presence of multiline features with a hyperfine splitting of 39 G. Temperature-dependent studies indicated that these features arose from an excited state. Titrations of the apoprotein with MnCl 2 provided evidence of one Mn 2+ binding site with a micromolar affinity and at least one additional Mn 2+ site with a 100-fold lower affinity. The dependence of the phosphatase activity on Mn 2+ concentration indicates that full enzyme activity probably requires occupation of both Mn 2+ sites. These results are discussed in the context of divalent metal ion activation of this enzyme and possible roles for Mn 2+ activation of other serine/threonine protein phosphatases.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Schäfer, B; Perić, M; Engels, B
Ab initio investigation of the vibronic spectrum involving the two lowest-lying electronic states of HCCO Journal Article
In: Journal of Chemical Physics, vol. 110, no. 16, pp. 7802-7810, 1999.
@article{Schäfer19997802,
title = {Ab initio investigation of the vibronic spectrum involving the two lowest-lying electronic states of HCCO},
author = {B Schäfer and M Perić and B Engels},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0000957805&doi=10.1063%2f1.478803&partnerID=40&md5=ff437882db11564e578c1a6b482d17dd},
doi = {10.1063/1.478803},
year = {1999},
date = {1999-01-01},
journal = {Journal of Chemical Physics},
volume = {110},
number = {16},
pages = {7802-7810},
abstract = {The results of ab initio calculations of the vibronic spectra involving both lowest-lying states X2A″ and A2A′ of the ketenyl radical HCCO are presented. Potential energy surfaces are computed by means of the coupled cluster method with perturbative triple corrections [CCSD(T)]. A recently developed ab initio approach for the treatment of the Renner-Teller effect in tetra-atomic asymmetric molecules is applied to calculate the vibronic energy levels. © 1999 American Institute of Physics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perić, M; Ostojić, B; Radić-Perić, J
Ab initio investigation of the Renner-Teller effect in the ground electronic state of HCCD+ Journal Article
In: Journal of Chemical Physics, vol. 110, no. 10, pp. 4783-4787, 1999.
@article{Perić19994783,
title = {Ab initio investigation of the Renner-Teller effect in the ground electronic state of HCCD+},
author = {M Perić and B Ostojić and J Radić-Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0347174050&doi=10.1063%2f1.478365&partnerID=40&md5=07019570adf87d43856628bf11416cdb},
doi = {10.1063/1.478365},
year = {1999},
date = {1999-01-01},
journal = {Journal of Chemical Physics},
volume = {110},
number = {10},
pages = {4783-4787},
abstract = {Results of an ab initio treatment of the Renner-Teller effect in the ground electronic state of HCCD+ are presented. The model Hamiltonian employed involves four nuclear degrees of freedom correlating at linear geometry with two degenerate bending vibrations. Computations of vibronic energy levels and wave functions are carried out by means of a variational approach. The results of calculations are compared with those for symmetric isotopic species HCCH+ and DCCD+. © 1999 American Institute of Physics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2000
Millić, D R; Opsenica, D M; Adnadević, B; Šolaja, B A
NaY zeolite: A useful catalyst for nitrile hydrolysis Journal Article
In: Molecules, vol. 5, no. 2, pp. 118-126, 2000.
@article{Millić2000118,
title = {NaY zeolite: A useful catalyst for nitrile hydrolysis},
author = {D R Millić and D M Opsenica and B Adnadević and B A Šolaja},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0000989156&partnerID=40&md5=3b03a958b4c375bb5ece6028920a45e1},
year = {2000},
date = {2000-01-01},
journal = {Molecules},
volume = {5},
number = {2},
pages = {118-126},
abstract = {The NaY zeolite catalysed hydrolysis of nitriles to primary amides is reported. It is found that aryl nitriles with strong electron-withdrawing substituents and cyanopyridines are readily hydrolysed in the water suspension, while aliphatic nitriles do not react.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Mioč, U B; Todorović, M; Uskoković-Marković, S; Nedić, Z; Stamenković, V; Čajkovski, T
Structural modifications of Cu(II) 12-tungstophosphoric acid salit studied by IR and Raman spectroscopy Journal Article
In: Journal of the Serbian Chemical Society, vol. 65, no. 5-6, pp. 407-415, 2000.
@article{Mioč2000407,
title = {Structural modifications of Cu(II) 12-tungstophosphoric acid salit studied by IR and Raman spectroscopy},
author = {U B Mioč and M Todorović and S Uskoković-Marković and Z Nedić and V Stamenković and T Čajkovski},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034361504&partnerID=40&md5=d543fba5bdad66607f63e21c4d4dfe5a},
year = {2000},
date = {2000-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {65},
number = {5-6},
pages = {407-415},
abstract = {In this paper local processes and structural phase transformations of the copper salt of 12-tungstophosphoric acid are investigated. The structural phase transformations were followed through bands, characteristic for the host lattice, in the IR and Raman spectra. The results of these investigations, as well as those of XRPD analysis and impedance measurements as a function of temperature show that some local processes provoke the change in the secondary structure of the Keggin anions.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perić, M; Grein, F; Hachey, M R J
In: Journal of Chemical Physics, vol. 113, no. 20, pp. 9011-9021, 2000.
@article{Perić20009011,
title = {Ab initio study of the role of vibronic coupling in the ultraviolet valence/Rydberg spectrum of formaldehyde: Handling of vibronic interaction between three electronic states},
author = {M Perić and F Grein and M R J Hachey},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034316903&doi=10.1063%2f1.1319645&partnerID=40&md5=464e824639f800e8e68a43edd8ba6c60},
doi = {10.1063/1.1319645},
year = {2000},
date = {2000-01-01},
journal = {Journal of Chemical Physics},
volume = {113},
number = {20},
pages = {9011-9021},
abstract = {Two approaches were developed to calculate vibronic coupling between three electronic states: the first one is based on adiabatic potential, the other on diabatic ones. The methods were applied to the three lowest excited 1A1 states of formaldehyde, coupled through the C-O stretch vibrational mode. Using expansions of sufficient length, excellent agreement between vibrational energies calculated independently by the two approaches were obtained. Similarly good agreement was found for the calculated transition moments.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Pješčić, M G; Veselinović, D S; Komnenić, V P; Drašković, I V
An investigation of the Fe3+-sulphonated pyrogallol system in aqueous solutions Journal Article
In: Journal of the Serbian Chemical Society, vol. 65, no. 4, pp. 255-263, 2000.
@article{Pješčić2000255,
title = {An investigation of the Fe3+-sulphonated pyrogallol system in aqueous solutions},
author = {M G Pješčić and D S Veselinović and V P Komnenić and I V Drašković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034386742&partnerID=40&md5=ebb6fdb45b52206a04ab96420bfa871a},
year = {2000},
date = {2000-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {65},
number = {4},
pages = {255-263},
abstract = {The electrochemical behaviour of the Fe3+ -sulphonated pyrogallol (SP) complex was investigated and its composition and stability constants were determinated at pH 2.30. It was found by voltammetric and spectrophotometric measurements that Fe3+ and SP form a complex of the ML2 type, which is relatively stable during the first 30 minutes. The optimal pH value for complex formation is between 2.30 and 2.80. The relative stability constants determined by voltammetric and spectrophotometric measurements are log β2 = 5.08 ±0.26 and log β2 = 6.31 ±0.04, respectively.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perić, M; Krmar, M; Radić-Perić, J; Hanrath, M
Ab initio investigation of the ··· πg2 (Χ3Σg−, 11Δg, 11Σg+) electronic states of ncn study of the renner-teller effect in the 11Δg state Journal Article
In: Journal of Molecular Spectroscopy, vol. 204, no. 2, pp. 226-234, 2000.
@article{Perić2000226,
title = {Ab initio investigation of the ··· πg2 (Χ3Σg−, 11Δg, 11Σg+) electronic states of ncn study of the renner-teller effect in the 11Δg state},
author = {M Perić and M Krmar and J Radić-Perić and M Hanrath},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034352239&doi=10.1006%2fjmsp.2000.8222&partnerID=40&md5=deb6d706408f82f1a7ef1c780b2a5d74},
doi = {10.1006/jmsp.2000.8222},
year = {2000},
date = {2000-01-01},
journal = {Journal of Molecular Spectroscopy},
volume = {204},
number = {2},
pages = {226-234},
abstract = {Large-scale CI calculations are carried out to obtain accurate potential energy surfaces for the ··· πg2 manifold (Χ3Σg−, 11Δg, 11Σg+) of electronic states of NCN. Separation of the low-lying singlet states from the triplet ground state is computed in close agreement with the results of a recent photoelectron study by T. R. Taylor, R. T. Bise, K. R. Asmis, and D. M. Neumark [Chem. Phys. Lett. 301, 413-416 (1999)]. Vibronic coupling (Renner-Teller effect) in the 11Δg state is studied by means of a perturbative and a variational approach. Results of the present ab initio study confirm explicitly the ρ4 dependence postulated for the splitting of bending potential curves in Δ electronic states at small deviations from linearity. © 2000 Academic Press.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Miljanić, S S; Golobočanin, D D
A simplified approach to the vibrational self-relaxation of simple molecules through convolution of their velocities Journal Article
In: Journal of the Serbian Chemical Society, vol. 65, no. 5-6, pp. 361-369, 2000.
@article{Miljanić2000361,
title = {A simplified approach to the vibrational self-relaxation of simple molecules through convolution of their velocities},
author = {S S Miljanić and D D Golobočanin},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034360685&partnerID=40&md5=42d12d0b49e2cbcd6a9ca6505b2a82b9},
year = {2000},
date = {2000-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {65},
number = {5-6},
pages = {361-369},
abstract = {A theoretical approach has been developed for computing collisional self-relaxation probabilities of the first excited level in the lowest vibrational mode of simple molecules. The bending (V2) vibration in triatomic molecules, in which the average translational and rotational velocities are of the same order of magnitude, was examined. The approach was based on the assumption that both the velocities should be taken into account as a convolution of the corresponding Maxwell's distribution functions. The model was checked for the SO2 molecule in the temperature range from 130-1100 K. The calculated temperature dependence curve (the Landau-Teller plot) exhibits a minimum at about 150 K. The data obtained is discussed in relation to some experimental results. The comparison indicates that the problem was treated in correct manner. Some additional aspects of the relaxation, like intermolecular interactions and the steric factor, are also briefly considered. It is believed that this approach offers quite a good basis for further improvements of theoretical treatments.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sovilj, S P; Vučković, G; Leovac, V M; Minić, D M
Dinuclear copper(II) complexes of N,N′,N′,N‴-Tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclote tradecane and some N,S or N,O Bidentate Ligands Journal Article
In: Polish Journal of Chemistry, vol. 74, no. 7, pp. 945-954, 2000.
@article{Sovilj2000945,
title = {Dinuclear copper(II) complexes of N,N′,N′,N‴-Tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclote tradecane and some N,S or N,O Bidentate Ligands},
author = {S P Sovilj and G Vučković and V M Leovac and D M Minić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034343392&partnerID=40&md5=6ecb0f53c5f35c87f98f905747db3ca2},
year = {2000},
date = {2000-01-01},
journal = {Polish Journal of Chemistry},
volume = {74},
number = {7},
pages = {945-954},
abstract = {Four new mixed complexes of Cu(II) with tpmc (N,N′,N″,N‴-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclot etradecane) and bridged bound N,S or N,O ligands of the general formula [Cu 2 (X)tpmc](ClO 4 ) 4 , where X = thiosemicarbazide (tsc), semicarbazide (sc), thiourea (tu) or urea (u), were prepared. Elemental and thermal analyses, conductometric and magnetic measurements, electronic. IR and mass spectroscopy have been employed. The molar conductivity values in acetonitrile show a behavior of 1:4 electrolytes. IR studies clearly indicate that X ligand is coordinated via N, S (tsc and tu) or N, O (sc and u) atoms, acting as bidentate bridging ligands. An exo coordination of Cu(II) ions and tpmc was proposed. Thermal decomposition of the complexes was performed. The mass decomposition pathways are proposed. Finally, the obtained complexes exhibit microbiological activity against some bacteria.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Radotić, K; Tasić, M; Jeremić, M; Budimlija, Z; Simić-Krstić, J; Polzović, A; Božović, Z
Fractal analysis of STM images of lignin polymer obtained by in vitro synthesis Journal Article
In: General Physiology and Biophysics, vol. 19, no. 2, pp. 171-180, 2000.
@article{Radotić2000171,
title = {Fractal analysis of STM images of lignin polymer obtained by in vitro synthesis},
author = {K Radotić and M Tasić and M Jeremić and Z Budimlija and J Simić-Krstić and A Polzović and Z Božović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034208557&partnerID=40&md5=954ffd6eb61d2639c940cadb82515bb2},
year = {2000},
date = {2000-01-01},
journal = {General Physiology and Biophysics},
volume = {19},
number = {2},
pages = {171-180},
abstract = {Lignin, the structural polymer of the plant cell walls, is produced by free radical polymerization of phenolic alcohols, catalyzed by different peroxidases. The mechanism and the structural organization of lignin in the cell have not been completely understood. In this study we applied fractal analysis to images of lignin polymer obtained using scanning tunneling microscope. The analysis showed the regularity of the polymer at different levels of organization. According to the results obtained, at the 95% confidence level, there is no significant difference in the fractal dimension between images representing different organizational levels of lignin. In other words, lignin produced in in vitro conditions has fractal structural organization and, consequently the polymer can be expected to be regular in in vivo conditions. The value of the fractal dimension 1.929 ± 0.021 is in good agreement with the theoretically predicted value for polyaddition and polycondensation mechanism of polymerization. The mechanism of in vivo lignin synthesis is discussed in terms of various experimental and theoretical evidences. In this paper, we could show that fractal analysis of the lignin polymer is a useful complementary approach to the experimental data collection in structural and phenomenological studies.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bošković, S; Kosanović, D; Dondur, V; Dimitrijević, R
Synthesis of Si3N4-celsian composite materials Journal Article
In: Ceramics International, vol. 26, no. 1, pp. 33-37, 2000.
@article{Bošković200033,
title = {Synthesis of Si3N4-celsian composite materials},
author = {S Bošković and D Kosanović and V Dondur and R Dimitrijević},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034460960&doi=10.1016%2fS0272-8842%2899%2900016-4&partnerID=40&md5=7760b56ceb296f3a1433e573864a6a32},
doi = {10.1016/S0272-8842(99)00016-4},
year = {2000},
date = {2000-01-01},
journal = {Ceramics International},
volume = {26},
number = {1},
pages = {33-37},
abstract = {The synthesis of Si3N4-celsian composite materials was studied in this paper. To obtain celsian, two different types of additives were used. In the first case the appropriate mixture of BaCO3, Al2O3 and SiO2 was added to Si3N4, while in the second case a Ba-A-zeolite, previously heated at 850 °C, was used as an additive. Mixtures of Si3N4 and the sintering aids were homogenized in a vibratory mill in the presence of isopropanol. The green bodies were pressurelessly sintered in nitrogen atmosphere at temperatures of 1650-1750 °C. Densification degree was followed, as well as microstructural changes, as a function of the sintering conditions and the additive used. Reaction of BAS formation was followed by X-ray analysis during the heating up period. It was found that with 10% zeolite as a sintering aid, full densification was achieved at 1750 °C but with the same amount of oxide mixture, only 96% TD was attained. Phase changes were followed also during cooling down the samples from sintering temperature. Two crystalline phases, β-Si3N4 and hexacelsian, were present in both types of sintered samples.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Miljanić, Š S; Stojić, D L J; Jakšić, M M
The cost reduction of electrolytically produced heavy water and hydrogen in the context of some new process parameters Journal Article
In: Chemical Industry and Chemical Engineering Quarterly, vol. 6, no. 1, pp. 116-122, 2000.
@article{Miljanić2000116,
title = {The cost reduction of electrolytically produced heavy water and hydrogen in the context of some new process parameters},
author = {Š S Miljanić and D L J Stojić and M M Jakšić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85034429722&partnerID=40&md5=e18cf501266ce2aa3ecbe957c2ca9379},
year = {2000},
date = {2000-01-01},
journal = {Chemical Industry and Chemical Engineering Quarterly},
volume = {6},
number = {1},
pages = {116-122},
abstract = {Hydrogen is an extremely important material, which is commonly used in many industrial processes in huge quantities, while its heavy isotopes, deuterium (D) as heavy water, and tritium (T) have great significance for nuclear energetics. Thus, improvements in their production are always of interest. Electrolysis (sometimes in combination with other methods) is often used for heavy water production or re-enrichment. It is a high energy consuming method at the same time with high isotope separation factors. An efficient way to achieve both, energy savings and a significant increase of the HID separation factors simultaneously, is applying water electrolysis from alkaline solutions, using catalytic cathode materials made from hypo-hyper-d-electronic combinations of transition metals and electrode in situ activation with tris-(ethylenediamine)-Co(III)-chloride complex. The appropriate conditions were investigated in this study. The dependence of isotope enrichment on the amount of water that must be electrolyzed was calculated using the Rayleigh equation. From that dependence the amounts for obtaining pure heavy water, i.e the corresponding energy savings, were estimated for different values of the separation factor, along with the minimum number of electrolytic stages in an enriching cascade. The method is discussed in a context that assumes heavy water as a by-product of hydrogen/oxygen generation, being an energy storage medium in a certain electroenergetic system during periods of the day when the consumption of energy from the system is reduced. This could be of importance for countries with a high percent of nuclear energy in the system, to avoid plant power reduction. If the discussed conditions are applied, hydrogen/oxygen can be produced at a reduced cost, delivering a D-enriched electrolyte to the subsequent heavy water production cascade. © 2017, CI and CEQ. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Mičič, M; Jeremič, M; Radotič, K; Mavers, M; Leblanc, R M
Visualization of artificial lignin supramolecular structures Journal Article
In: Scanning, vol. 22, no. 5, pp. 288-294, 2000.
@article{Mičič2000288,
title = {Visualization of artificial lignin supramolecular structures},
author = {M Mičič and M Jeremič and K Radotič and M Mavers and R M Leblanc},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034488288&doi=10.1002%2fsca.4950220503&partnerID=40&md5=06117c4bc3f721ddb4fbc4a8913649d8},
doi = {10.1002/sca.4950220503},
year = {2000},
date = {2000-01-01},
journal = {Scanning},
volume = {22},
number = {5},
pages = {288-294},
abstract = {In this paper we are presenting the results of our environmental scanning electron microscopy (ESEM) investigation of the lignin model compound - enzymatically polymerized coniferyl alcohol, also known as dehydrogenate polymer (DHP). The goals of this study were to visualize the supramolecular organization of DHP polymer on various substrates, namely graphite, mica, and glass, and to explore the influence of substrate surface properties and associated collective phenomena on the lignin self-assembled supramolecular structure. Based on results obtained with ESEM, combined with previously published results based on scanning tunneling microscopy (STM) and electron spin resonance (ESR) technique, we looked at lignin structure ranging from a monomer on a fraction of nanometer scale to a large aggregate on a fraction of millimeter scale, therefore using six orders of magnitude range of size. Herein, we are presenting evidence that there are at least four different levels of the supramolecular structure of lignin, and that its supramolecular organization is well dependent on the substrate surface characteristics, such as hydrophobicity, delocalized orbitals, and surface-free energy.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Gutman, I; Koolen, J H; Moulton, V; Parac, M; Soldatović, T; Vidović, D
Estimating and approximating the total π-electron energy of benzenoid hydrocarbons Journal Article
In: Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, vol. 55, no. 5, pp. 507-512, 2000.
@article{Gutman2000507,
title = {Estimating and approximating the total π-electron energy of benzenoid hydrocarbons},
author = {I Gutman and J H Koolen and V Moulton and M Parac and T Soldatović and D Vidović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0039608419&doi=10.1515%2fzna-2000-0506&partnerID=40&md5=a3943b8b62ccce212311c92eeb979993},
doi = {10.1515/zna-2000-0506},
year = {2000},
date = {2000-01-01},
journal = {Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences},
volume = {55},
number = {5},
pages = {507-512},
abstract = {Lower and upper bounds as well as approximate formulas for the total π-electron energy (E) of benzenoid hydrocarbons are deduced, depending only on the number of carbon atoms (n) and number of carbon-carbon bonds (m). These are better than the several previously known (n, m)-type estimates and approximations for E.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Micic, M; Markovic, D; Vukelic, N; Radu, A; Milosevic, B; Leblanc, R M
Environmental scanning electron microscopy study of commonly used filters substrates for the active sampling of atmospheric aerosols Journal Article
In: Fresenius Environmental Bulletin, vol. 9, no. 3-4, pp. 193-200, 2000.
@article{Micic2000193,
title = {Environmental scanning electron microscopy study of commonly used filters substrates for the active sampling of atmospheric aerosols},
author = {M Micic and D Markovic and N Vukelic and A Radu and B Milosevic and R M Leblanc},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034038939&partnerID=40&md5=2c32a325a6470e32864499a6a1d303cf},
year = {2000},
date = {2000-01-01},
journal = {Fresenius Environmental Bulletin},
volume = {9},
number = {3-4},
pages = {193-200},
abstract = {Surface topography of different kinds of commonly used atmospheric particulate matter filters has been investigated using the environmental scanning electron microscopic technique (ESEM). This new technique allows us to observe samples under controlled gaseous atmosphere without any prior preparation of the sample, i.e. coating and fixation. Herein we present comparison of topography of the most commonly used atmospheric particulate filters such as glass, nitrocellulose paper, PVC and Teflon before and after performing active sampling of atmospheric particulates.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
1999
Cvjetićanin, N; Mentus, S
Electric conductivity of gel-polymeric electrolytes with Ca, Mg and Zn perchlorate salts Journal Article
In: Journal of the Serbian Chemical Society, vol. 64, no. 2, pp. 117-122, 1999.
@article{Cvjetićanin1999117,
title = {Electric conductivity of gel-polymeric electrolytes with Ca, Mg and Zn perchlorate salts},
author = {N Cvjetićanin and S Mentus},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0040712418&partnerID=40&md5=da07acb3c3252714aae8626ebf380467},
year = {1999},
date = {1999-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {64},
number = {2},
pages = {117-122},
abstract = {The gel-polymeric electrolytes were prepared with calcium, magnesium and zinc perchlorates dissolved in propylene carbonate together with poly (acrylo nitrile) or poly(methyl methacrylate) as a solution immobilizing polymers. The electric conductivity of these electrolytes was examined in the dependence of temperature and solvent content, at a constant salt-to-polymer concentration ratio. The electrolyte compositions were outlined having the conductivity close to 10 3 S cm 1. It was demonstrated that among the factors determining the conductivity, the cation nature plays a minor role, while the dominant role plays a liquid solvent (propylene carbonate) concentration.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Simonović, B R; Mentus, S V; Šušić, M V
Examination of the kinetics of Zr1.02Ni0.98 alloy hydriding Journal Article
In: Journal of the Serbian Chemical Society, vol. 64, no. 12, pp. 745-752, 1999.
@article{Simonović1999745,
title = {Examination of the kinetics of Zr1.02Ni0.98 alloy hydriding},
author = {B R Simonović and S V Mentus and M V Šušić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033266774&partnerID=40&md5=ac4dab9142e472da2e49361c6171426e},
year = {1999},
date = {1999-01-01},
journal = {Journal of the Serbian Chemical Society},
volume = {64},
number = {12},
pages = {745-752},
abstract = {The hydriding kinetics of Zr1.02Ni0.98 alloy was examined in dependence on the number of hydriding/dehydriding cycles. The rate constants relating to three subsequent hydriding procedures of an alloy sample, at five temperatures: 423, 448, 473, 498 and 523 K, were determined. The rate constant increases, and the activation energy decreases on each repetition of the hydriding/dehydriding cycle at a given temperature. This behavior was explained by sample crushing, leading to an increase in the surface area accessible to hydrogen.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Todorović, S; Juranić, N; Macura, S; Rusnak, F
Binding of 15 N-labeled isoniazid to KatG and KatG(S315T): Use of two- spin [zz]-order relaxation rate for 15 N-fe distance determination Journal Article
In: Journal of the American Chemical Society, vol. 121, no. 47, pp. 10962-10966, 1999.
@article{Todorović199910962,
title = {Binding of 15 N-labeled isoniazid to KatG and KatG(S315T): Use of two- spin [zz]-order relaxation rate for 15 N-fe distance determination},
author = {S Todorović and N Juranić and S Macura and F Rusnak},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033485520&doi=10.1021%2fja9918674&partnerID=40&md5=f13a95d09e7fec1a676848818d7b85c0},
doi = {10.1021/ja9918674},
year = {1999},
date = {1999-01-01},
journal = {Journal of the American Chemical Society},
volume = {121},
number = {47},
pages = {10962-10966},
abstract = {Isoniazid has been used to treat tuberculosis for over 40 years, but its mechanism of action is not yet fully understood. It is known that a catalase/peroxidase KatG is required for isoniazid activation. A point mutation in KatG, KatG(S315T), is found in > 50% of isoniazid-resistant strains. In this study we have measured the distance between the 15 N labeled amide nitrogen of isoniazid and the Fe ion in the active site of KatG and KatG(S315T). The distances are found to be equal within experimental error, 3.8 ± 0.8 and 4.4 ± 0.9 Å, respectively. A new method of measuring longitudinal relaxation rates of insensitive nuclei in paramagnetic systems via zz-order is proposed. The longitudinal relaxation rate of the 15 N nucleus was obtained from the independently measured longitudinal proton relaxation rate and the longitudinal zz-order relaxation rate of scalar coupled N and H atoms. To eliminate cross-correlations of different relaxation sources, a remote proton was used to create zz-order and detect the 15 N nucleus. The obtained 15 NFe distances are significantly shorter than previously reported 1 H-Fe distances (Wengenack, N. L.; Todorovic, S.; Yu, L; Rusnak, F. Biochemistry 1998, 37, 15825), indicating that the isoniazid molecule approaches the heme Fe ion via the hydrazine nitrogen atoms. The proposed method for two-spin order relaxation measurements is quite general and can be used to probe the distance between insensitive nuclei and a paramagnetic center in various protein-substrate complexes.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Cvjetićanin, N D; Mentus, S
Conductivity, viscosity and IR spectra of Li, Na and Mg perchlorate solutions in propylene carbonate/water mixed solvents Journal Article
In: Physical Chemistry Chemical Physics, vol. 1, no. 22, pp. 5157-5161, 1999.
@article{Cvjetićanin19995157,
title = {Conductivity, viscosity and IR spectra of Li, Na and Mg perchlorate solutions in propylene carbonate/water mixed solvents},
author = {N D Cvjetićanin and S Mentus},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033571674&doi=10.1039%2fA905454E&partnerID=40&md5=8b1b2ed6dac99082ab0d71fd77afe897},
doi = {10.1039/A905454E},
year = {1999},
date = {1999-01-01},
journal = {Physical Chemistry Chemical Physics},
volume = {1},
number = {22},
pages = {5157-5161},
abstract = {The influence of water addition on the electric conductivity, viscosity and IR spectra of Mg, Li and Na perchlorate solutions in propylene carbonate (PC) was examined. Conductivity and viscosity data pointed out ion-solvent and ion-ion associations that were most pronounced in Mg(ClO 4 ) 2 solutions. IR investigations were directed towards the spectral region 1000-600 cm -1 . The changes of the ν 4 band of the perchlorate anion at 624 cm -1 and the changes of solvent bands in the spectral region 980-890 cm -1 caused by water addition to 1 M solutions indicated the formation of contact ion pairs. The appearance and increase in intensity of the otherwise IR-inactive perchlorate band at 931 cm -1 , upon water addition, was attributed to cation-H 2 O-ClO 4 - solvent shared ion pairs.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Rusnak, F; Yu, L; Todorovic, S; Mertz, P
Interaction of bacteriophage λ protein phosphatase with Mn(II): Evidence for the formation of a [Mn(II)] 2 cluster Journal Article
In: Biochemistry, vol. 38, no. 21, pp. 6943-6952, 1999.
@article{Rusnak19996943,
title = {Interaction of bacteriophage λ protein phosphatase with Mn(II): Evidence for the formation of a [Mn(II)] 2 cluster},
author = {F Rusnak and L Yu and S Todorovic and P Mertz},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0033602926&doi=10.1021%2fbi982606u&partnerID=40&md5=0e8f437b768c217f7661fa6e57f648db},
doi = {10.1021/bi982606u},
year = {1999},
date = {1999-01-01},
journal = {Biochemistry},
volume = {38},
number = {21},
pages = {6943-6952},
abstract = {The interaction of bacteriophage λ protein phosphatase with Mn 2+ was studied using biochemical techniques and electron paramagnetic resonance spectrometry. Reconstitution of bacteriophage λ, protein phosphatase in the presence of excess MnCl 2 followed by rapid desalting over a gel filtration column resulted in the retention of approximately 1 equiv of Mn 2+ ion bound to the protein. This was determined by metal analyses and low-temperature EPR spectrometry, the latter of which provided evidence of a mononuclear high- spin Mn 2+ ion in a ligand environment of oxygen and nitrogen atoms. The Mn 2+ -reconstituted enzyme exhibited negligible phosphatase activity in the absence of added MnCl 2 . The EPR spectrum of the mononuclear species disappeared upon the addition of a second equivalent of Mn 2+ and was replaced by a spectrum attributed to an exchange-coupled (Mn 2+ ) 2 cluster. EPR spectra of the dinuclear (Mn 2+ ) 2 cluster were characterized by the presence of multiline features with a hyperfine splitting of 39 G. Temperature-dependent studies indicated that these features arose from an excited state. Titrations of the apoprotein with MnCl 2 provided evidence of one Mn 2+ binding site with a micromolar affinity and at least one additional Mn 2+ site with a 100-fold lower affinity. The dependence of the phosphatase activity on Mn 2+ concentration indicates that full enzyme activity probably requires occupation of both Mn 2+ sites. These results are discussed in the context of divalent metal ion activation of this enzyme and possible roles for Mn 2+ activation of other serine/threonine protein phosphatases.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Schäfer, B; Perić, M; Engels, B
Ab initio investigation of the vibronic spectrum involving the two lowest-lying electronic states of HCCO Journal Article
In: Journal of Chemical Physics, vol. 110, no. 16, pp. 7802-7810, 1999.
@article{Schäfer19997802,
title = {Ab initio investigation of the vibronic spectrum involving the two lowest-lying electronic states of HCCO},
author = {B Schäfer and M Perić and B Engels},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0000957805&doi=10.1063%2f1.478803&partnerID=40&md5=ff437882db11564e578c1a6b482d17dd},
doi = {10.1063/1.478803},
year = {1999},
date = {1999-01-01},
journal = {Journal of Chemical Physics},
volume = {110},
number = {16},
pages = {7802-7810},
abstract = {The results of ab initio calculations of the vibronic spectra involving both lowest-lying states X2A″ and A2A′ of the ketenyl radical HCCO are presented. Potential energy surfaces are computed by means of the coupled cluster method with perturbative triple corrections [CCSD(T)]. A recently developed ab initio approach for the treatment of the Renner-Teller effect in tetra-atomic asymmetric molecules is applied to calculate the vibronic energy levels. © 1999 American Institute of Physics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Perić, M; Ostojić, B; Radić-Perić, J
Ab initio investigation of the Renner-Teller effect in the ground electronic state of HCCD+ Journal Article
In: Journal of Chemical Physics, vol. 110, no. 10, pp. 4783-4787, 1999.
@article{Perić19994783,
title = {Ab initio investigation of the Renner-Teller effect in the ground electronic state of HCCD+},
author = {M Perić and B Ostojić and J Radić-Perić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0347174050&doi=10.1063%2f1.478365&partnerID=40&md5=07019570adf87d43856628bf11416cdb},
doi = {10.1063/1.478365},
year = {1999},
date = {1999-01-01},
journal = {Journal of Chemical Physics},
volume = {110},
number = {10},
pages = {4783-4787},
abstract = {Results of an ab initio treatment of the Renner-Teller effect in the ground electronic state of HCCD+ are presented. The model Hamiltonian employed involves four nuclear degrees of freedom correlating at linear geometry with two degenerate bending vibrations. Computations of vibronic energy levels and wave functions are carried out by means of a variational approach. The results of calculations are compared with those for symmetric isotopic species HCCH+ and DCCD+. © 1999 American Institute of Physics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}