TY  - JOUR
AU  - Stojmenović, Marija
AU  - Milenković, Maja
AU  - Banković, Predrag
AU  - Žunić, Milan
AU  - Gulicovski, Jelena
AU  - Pantic, Jelena R
AU  - Boskovic, Snezana B
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1694
AB  - Ceramic pigments based on cerium oxide were synthesized by self-propagating room temperature method and their color properties were assessed from the viewpoint of potential environmentally nontoxic pink pigments. Thermal stabilities of the pigments were examined at 600, 900 and 1200 degrees C. According to X-ray powder diffraction and Raman spectroscopy results, all obtained pigments were singlephase solid solutions of cerium oxide, independent of the concentration of dopants. The X-ray analysis showed that the crystallites were of nanometric dimensions, as recorded and by transmission electron microscopy analysis. Color characteristics of solid solutions, which depended on concentration erbium ions and calcination temperature, and their position in the chromaticity diagram were studied by ultraviolet visible spectrophotometry, which confirmed potential application of environmentally friendly pigments of desired color. The color efficiency of pigments was also evaluated by calorimetric analysis.
PB  - Elsevier Sci Ltd, Oxford
T2  - Dyes and Pigments
T1  - Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment
VL  - 123
SP  - 116
EP  - 124
DO  - 10.1016/j.dyepig.2015.07.030
ER  - 

@article{
author = "Stojmenović, Marija and Milenković, Maja and Banković, Predrag and Žunić, Milan and Gulicovski, Jelena and Pantic, Jelena R and Boskovic, Snezana B",
year = "2015",
abstract = "Ceramic pigments based on cerium oxide were synthesized by self-propagating room temperature method and their color properties were assessed from the viewpoint of potential environmentally nontoxic pink pigments. Thermal stabilities of the pigments were examined at 600, 900 and 1200 degrees C. According to X-ray powder diffraction and Raman spectroscopy results, all obtained pigments were singlephase solid solutions of cerium oxide, independent of the concentration of dopants. The X-ray analysis showed that the crystallites were of nanometric dimensions, as recorded and by transmission electron microscopy analysis. Color characteristics of solid solutions, which depended on concentration erbium ions and calcination temperature, and their position in the chromaticity diagram were studied by ultraviolet visible spectrophotometry, which confirmed potential application of environmentally friendly pigments of desired color. The color efficiency of pigments was also evaluated by calorimetric analysis.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Dyes and Pigments",
title = "Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment",
volume = "123",
pages = "116-124",
doi = "10.1016/j.dyepig.2015.07.030"
}

Stojmenović, M., Milenković, M., Banković, P., Žunić, M., Gulicovski, J., Pantic, J. R.,& Boskovic, S. B.. (2015). Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment. in Dyes and Pigments
Elsevier Sci Ltd, Oxford., 123, 116-124.
https://doi.org/10.1016/j.dyepig.2015.07.030

Stojmenović M, Milenković M, Banković P, Žunić M, Gulicovski J, Pantic JR, Boskovic SB. Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment. in Dyes and Pigments. 2015;123:116-124.
doi:10.1016/j.dyepig.2015.07.030 .

Stojmenović, Marija, Milenković, Maja, Banković, Predrag, Žunić, Milan, Gulicovski, Jelena, Pantic, Jelena R, Boskovic, Snezana B, "Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment" in Dyes and Pigments, 123 (2015):116-124,
https://doi.org/10.1016/j.dyepig.2015.07.030 . .

TY  - JOUR
AU  - Stojmenović, Marija
AU  - Milenković, Maja
AU  - Banković, Predrag
AU  - Žunić, Milan
AU  - Gulicovski, Jelena
AU  - Pantic, Jelena R
AU  - Boskovic, Snezana B
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3174
AB  - Ceramic pigments based on cerium oxide were synthesized by self-propagating room temperature method and their color properties were assessed from the viewpoint of potential environmentally nontoxic pink pigments. Thermal stabilities of the pigments were examined at 600, 900 and 1200 degrees C. According to X-ray powder diffraction and Raman spectroscopy results, all obtained pigments were singlephase solid solutions of cerium oxide, independent of the concentration of dopants. The X-ray analysis showed that the crystallites were of nanometric dimensions, as recorded and by transmission electron microscopy analysis. Color characteristics of solid solutions, which depended on concentration erbium ions and calcination temperature, and their position in the chromaticity diagram were studied by ultraviolet visible spectrophotometry, which confirmed potential application of environmentally friendly pigments of desired color. The color efficiency of pigments was also evaluated by calorimetric analysis.
PB  - Elsevier Sci Ltd, Oxford
T2  - Dyes and Pigments
T1  - Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment
VL  - 123
SP  - 116
EP  - 124
DO  - 10.1016/j.dyepig.2015.07.030
ER  - 

@article{
author = "Stojmenović, Marija and Milenković, Maja and Banković, Predrag and Žunić, Milan and Gulicovski, Jelena and Pantic, Jelena R and Boskovic, Snezana B",
year = "2015",
abstract = "Ceramic pigments based on cerium oxide were synthesized by self-propagating room temperature method and their color properties were assessed from the viewpoint of potential environmentally nontoxic pink pigments. Thermal stabilities of the pigments were examined at 600, 900 and 1200 degrees C. According to X-ray powder diffraction and Raman spectroscopy results, all obtained pigments were singlephase solid solutions of cerium oxide, independent of the concentration of dopants. The X-ray analysis showed that the crystallites were of nanometric dimensions, as recorded and by transmission electron microscopy analysis. Color characteristics of solid solutions, which depended on concentration erbium ions and calcination temperature, and their position in the chromaticity diagram were studied by ultraviolet visible spectrophotometry, which confirmed potential application of environmentally friendly pigments of desired color. The color efficiency of pigments was also evaluated by calorimetric analysis.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Dyes and Pigments",
title = "Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment",
volume = "123",
pages = "116-124",
doi = "10.1016/j.dyepig.2015.07.030"
}

Stojmenović, M., Milenković, M., Banković, P., Žunić, M., Gulicovski, J., Pantic, J. R.,& Boskovic, S. B.. (2015). Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment. in Dyes and Pigments
Elsevier Sci Ltd, Oxford., 123, 116-124.
https://doi.org/10.1016/j.dyepig.2015.07.030

Stojmenović M, Milenković M, Banković P, Žunić M, Gulicovski J, Pantic JR, Boskovic SB. Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment. in Dyes and Pigments. 2015;123:116-124.
doi:10.1016/j.dyepig.2015.07.030 .

Stojmenović, Marija, Milenković, Maja, Banković, Predrag, Žunić, Milan, Gulicovski, Jelena, Pantic, Jelena R, Boskovic, Snezana B, "Influence of temperature and dopant concentration on structural, morphological and optical properties of nanometric Ce1-xErxO2-delta (x=0.05-0.20) as a pigment" in Dyes and Pigments, 123 (2015):116-124,
https://doi.org/10.1016/j.dyepig.2015.07.030 . .

TY  - JOUR
AU  - Kaluđerović, Goran N.
AU  - Pantelić, Nebojša Đ.
AU  - Eichhorn, Thomas
AU  - Bette, Martin
AU  - Wagner, Christoph
AU  - Zmejkovski, Bojana
AU  - Schmidt, Harry
PY  - 2014
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1424
AB  - Three novel complexes of platinum(II) with R(2)edda bidentate ligands [PtCl2(R(2)edda)] (R = Me, Et, n-Pr; edda = ethylenediamine-N,N'-diacetate; 1-3), are synthesized and characterized by IR and NMR spectroscopy and elemental analysis. All complexes exist in three stereoisomeric forms (R,R), (S,S) and (R,S)(S,R). In addition crystal structure of one platinum(IV) complex [PtCl4((n-Pr)(2)edda)], 4, is presented. Furthermore, in order to assign stereoisomers of 1-3, a reduction of racemic [PtCl4(Et(2)edda)] by ascorbic acid to [PtCl2(Et(2)edda)] (2) was performed and analyzed by H-1 NMR. Time-depending H-1 NMR spectroscopic experiments were implemented to study the stability of ethylenediamine-N,N'-diacetate diesters. Finally, the in vitro cytotoxic activity of complexes 1-3 was studied on 11 tumor cell lines, 518A2 (melanoma), 8505C (human thyroid carcinoma), A253 (head and neck tumor), A431 (cervix), A549 (lung), A2780 (ovarian), MCF-7 (breast) and HT-29, HCT-8, DLD-1, SW1736 (all colon) by the SRB colorimetric assay method. Complex 3 showed the highest action against ovarian (A2780) cells with an IC50 value 51 +/- 1 mu M.
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Polyhedron
T1  - Platinum(II) complexes with R(2)edda ligands (R = Me, Et, n-Pr; edda = ethylenediamine-N,N '-diacetate): Synthesis and characterization
VL  - 80
SP  - 53
EP  - 59
DO  - 10.1016/j.poly.2014.01.018
ER  - 

@article{
author = "Kaluđerović, Goran N. and Pantelić, Nebojša Đ. and Eichhorn, Thomas and Bette, Martin and Wagner, Christoph and Zmejkovski, Bojana and Schmidt, Harry",
year = "2014",
abstract = "Three novel complexes of platinum(II) with R(2)edda bidentate ligands [PtCl2(R(2)edda)] (R = Me, Et, n-Pr; edda = ethylenediamine-N,N'-diacetate; 1-3), are synthesized and characterized by IR and NMR spectroscopy and elemental analysis. All complexes exist in three stereoisomeric forms (R,R), (S,S) and (R,S)(S,R). In addition crystal structure of one platinum(IV) complex [PtCl4((n-Pr)(2)edda)], 4, is presented. Furthermore, in order to assign stereoisomers of 1-3, a reduction of racemic [PtCl4(Et(2)edda)] by ascorbic acid to [PtCl2(Et(2)edda)] (2) was performed and analyzed by H-1 NMR. Time-depending H-1 NMR spectroscopic experiments were implemented to study the stability of ethylenediamine-N,N'-diacetate diesters. Finally, the in vitro cytotoxic activity of complexes 1-3 was studied on 11 tumor cell lines, 518A2 (melanoma), 8505C (human thyroid carcinoma), A253 (head and neck tumor), A431 (cervix), A549 (lung), A2780 (ovarian), MCF-7 (breast) and HT-29, HCT-8, DLD-1, SW1736 (all colon) by the SRB colorimetric assay method. Complex 3 showed the highest action against ovarian (A2780) cells with an IC50 value 51 +/- 1 mu M.",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Polyhedron",
title = "Platinum(II) complexes with R(2)edda ligands (R = Me, Et, n-Pr; edda = ethylenediamine-N,N '-diacetate): Synthesis and characterization",
volume = "80",
pages = "53-59",
doi = "10.1016/j.poly.2014.01.018"
}

Kaluđerović, G. N., Pantelić, N. Đ., Eichhorn, T., Bette, M., Wagner, C., Zmejkovski, B.,& Schmidt, H.. (2014). Platinum(II) complexes with R(2)edda ligands (R = Me, Et, n-Pr; edda = ethylenediamine-N,N '-diacetate): Synthesis and characterization. in Polyhedron
Oxford : Pergamon-Elsevier Science Ltd., 80, 53-59.
https://doi.org/10.1016/j.poly.2014.01.018

Kaluđerović GN, Pantelić NĐ, Eichhorn T, Bette M, Wagner C, Zmejkovski B, Schmidt H. Platinum(II) complexes with R(2)edda ligands (R = Me, Et, n-Pr; edda = ethylenediamine-N,N '-diacetate): Synthesis and characterization. in Polyhedron. 2014;80:53-59.
doi:10.1016/j.poly.2014.01.018 .

Kaluđerović, Goran N., Pantelić, Nebojša Đ., Eichhorn, Thomas, Bette, Martin, Wagner, Christoph, Zmejkovski, Bojana, Schmidt, Harry, "Platinum(II) complexes with R(2)edda ligands (R = Me, Et, n-Pr; edda = ethylenediamine-N,N '-diacetate): Synthesis and characterization" in Polyhedron, 80 (2014):53-59,
https://doi.org/10.1016/j.poly.2014.01.018 . .

TY  - JOUR
AU  - Malenov, Dušan P.
AU  - Janjić, Goran
AU  - Veljković, Dušan
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1218
AB  - The mutual influence of OH/pi, CH/O, parallel alignment (all attractive) and lone pair/pi (repulsive) water/benzene interactions was studied with ab initio calculations on water/benzene/water systems. The energies of the systems containing two water molecules on the opposite sides of benzene molecule or as far as possible from each other were calculated using Moller-Plesset perturbation theory of the second order and cc-pVTZ and cc-pVQZ basis sets. The synergetic effects in those systems were shown to be related to direction and amount of electron transfer. The results showed that OH/pi and CH/O interactions strengthen each other for 0.42-0.44 kcal/mol. Similar effect is also present in the system containing LP/pi and OH/pi interaction, that strengthen each other for 0.42-0.46 kcal/mol. In contrast, two OH/pi interactions weaken each other for 0.40 kcal/mol, two CH/O interactions weaken each other for 0.31 kcal/mol, while two LP/pi interaction weaken each other by 0.40 kcal/mol. Weakening is also present in the system containing LP/pi and CH/O interaction, that weaken each other by 0.43 kcal/mol. Parallel alignment water/benzene interactions, where one water OH bond is parallel to benzene ring and out of benzene ring and C-H bond region, do not have a significant influence on the energy of other interactions or on each other.
PB  - Elsevier
T2  - Computational and Theoretical Chemistry
T1  - Mutual influence of parallel, CH/O, OH/pi and lone pair/pi interactions in water/benzene/water system
VL  - 1018
SP  - 59
EP  - 65
DO  - 10.1016/j.comptc.2013.05.030
ER  - 

@article{
author = "Malenov, Dušan P. and Janjić, Goran and Veljković, Dušan and Zarić, Snežana D.",
year = "2013",
abstract = "The mutual influence of OH/pi, CH/O, parallel alignment (all attractive) and lone pair/pi (repulsive) water/benzene interactions was studied with ab initio calculations on water/benzene/water systems. The energies of the systems containing two water molecules on the opposite sides of benzene molecule or as far as possible from each other were calculated using Moller-Plesset perturbation theory of the second order and cc-pVTZ and cc-pVQZ basis sets. The synergetic effects in those systems were shown to be related to direction and amount of electron transfer. The results showed that OH/pi and CH/O interactions strengthen each other for 0.42-0.44 kcal/mol. Similar effect is also present in the system containing LP/pi and OH/pi interaction, that strengthen each other for 0.42-0.46 kcal/mol. In contrast, two OH/pi interactions weaken each other for 0.40 kcal/mol, two CH/O interactions weaken each other for 0.31 kcal/mol, while two LP/pi interaction weaken each other by 0.40 kcal/mol. Weakening is also present in the system containing LP/pi and CH/O interaction, that weaken each other by 0.43 kcal/mol. Parallel alignment water/benzene interactions, where one water OH bond is parallel to benzene ring and out of benzene ring and C-H bond region, do not have a significant influence on the energy of other interactions or on each other.",
publisher = "Elsevier",
journal = "Computational and Theoretical Chemistry",
title = "Mutual influence of parallel, CH/O, OH/pi and lone pair/pi interactions in water/benzene/water system",
volume = "1018",
pages = "59-65",
doi = "10.1016/j.comptc.2013.05.030"
}

Malenov, D. P., Janjić, G., Veljković, D.,& Zarić, S. D.. (2013). Mutual influence of parallel, CH/O, OH/pi and lone pair/pi interactions in water/benzene/water system. in Computational and Theoretical Chemistry
Elsevier., 1018, 59-65.
https://doi.org/10.1016/j.comptc.2013.05.030

Malenov DP, Janjić G, Veljković D, Zarić SD. Mutual influence of parallel, CH/O, OH/pi and lone pair/pi interactions in water/benzene/water system. in Computational and Theoretical Chemistry. 2013;1018:59-65.
doi:10.1016/j.comptc.2013.05.030 .

Malenov, Dušan P., Janjić, Goran, Veljković, Dušan, Zarić, Snežana D., "Mutual influence of parallel, CH/O, OH/pi and lone pair/pi interactions in water/benzene/water system" in Computational and Theoretical Chemistry, 1018 (2013):59-65,
https://doi.org/10.1016/j.comptc.2013.05.030 . .

TY  - JOUR
AU  - Vojislavljevic, Dubravka Z.
AU  - Janjić, Goran
AU  - Ninković, Dragan B.
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1282
AB  - The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).
PB  - Royal Soc Chemistry, Cambridge
T2  - Crystengcomm
T1  - The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion
VL  - 15
IS  - 11
SP  - 2099
EP  - 2105
DO  - 10.1039/c2ce25621e
ER  - 

@article{
author = "Vojislavljevic, Dubravka Z. and Janjić, Goran and Ninković, Dragan B. and Kapor, Agnes and Zarić, Snežana D.",
year = "2013",
abstract = "The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Crystengcomm",
title = "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion",
volume = "15",
number = "11",
pages = "2099-2105",
doi = "10.1039/c2ce25621e"
}

Vojislavljevic, D. Z., Janjić, G., Ninković, D. B., Kapor, A.,& Zarić, S. D.. (2013). The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in Crystengcomm
Royal Soc Chemistry, Cambridge., 15(11), 2099-2105.
https://doi.org/10.1039/c2ce25621e

Vojislavljevic DZ, Janjić G, Ninković DB, Kapor A, Zarić SD. The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in Crystengcomm. 2013;15(11):2099-2105.
doi:10.1039/c2ce25621e .

Vojislavljevic, Dubravka Z., Janjić, Goran, Ninković, Dragan B., Kapor, Agnes, Zarić, Snežana D., "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion" in Crystengcomm, 15, no. 11 (2013):2099-2105,
https://doi.org/10.1039/c2ce25621e . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Ninković, Dragan B.
AU  - Janjić, Goran
AU  - Zhou, Jia
AU  - Hall, Michael B.
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1339
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies
VL  - 14
IS  - 9
SP  - 1797
EP  - 1800
DO  - 10.1002/cphc.201201062
ER  - 

@article{
author = "Sredojević, Dušan and Ninković, Dragan B. and Janjić, Goran and Zhou, Jia and Hall, Michael B. and Zarić, Snežana D.",
year = "2013",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies",
volume = "14",
number = "9",
pages = "1797-1800",
doi = "10.1002/cphc.201201062"
}

Sredojević, D., Ninković, D. B., Janjić, G., Zhou, J., Hall, M. B.,& Zarić, S. D.. (2013). Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 14(9), 1797-1800.
https://doi.org/10.1002/cphc.201201062

Sredojević D, Ninković DB, Janjić G, Zhou J, Hall MB, Zarić SD. Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies. in Chemphyschem. 2013;14(9):1797-1800.
doi:10.1002/cphc.201201062 .

Sredojević, Dušan, Ninković, Dragan B., Janjić, Goran, Zhou, Jia, Hall, Michael B., Zarić, Snežana D., "Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies" in Chemphyschem, 14, no. 9 (2013):1797-1800,
https://doi.org/10.1002/cphc.201201062 . .

TY  - JOUR
AU  - Ramadan, Muftah Mohamed Ali
AU  - Šolević Knudsen, Tatjana
AU  - Antić, Mališa
AU  - Beškoski, Vladimir
AU  - Vrvić, Miroslav
AU  - Schwarzbauer, Jan
AU  - Jovančićević, Branimir
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1208
AB  - It is well known that during biodegradation of oil under natural geological conditions, or oil pollutants in the environment, degradation of hydrocarbons occurs according to a well-defined sequence. For example, the major changes during the degradation process of n-alkanes occur in the second, slight and third, moderate level (on the biodegradation scale from 1 to 10). According to previous research, in the fourth, heavy level, when intensive changes of phenanthrene and its methyl isomers begin, n-alkanes have already been completely removed. In this paper, the ex situ natural bioremediation (non-stimulated bioremediation, without addition of biomass, nutrient substances and biosurfactant) of soil contaminated with heavy residual fuel oil (mazut) was conducted during a period of 6 months. Low abundance of n-alkanes in the fraction of total saturated hydrocarbons in the initial sample (identification was possible only after concentration by the urea adduction technique) showed that the investigated oil pollutant was at the boundary between the third and the fourth biodegradation level. During the experiment, an intense degradation of phenanthrene and its methyl-, dimethyl- and tri-methyl-isomers was not accompanied by the removal of the remaining n-alkanes. The abundance of n-alkanes remained at the initial low level, even at end of the experiment when the pollutant reached one of the highest biodegradation levels. These results showed that the non-stimulated biodegradation of some hydrocarbons, despite their high biodegradability, had not proceeded completely to the end, even at final degradation stages. Under the condition of reduced availability of some hydrocarbons, microorganisms tend to opt for the less biodegradable but more accessible hydrocarbons.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Degradability of n-alkanes during ex situ natural bioremediation of soil contaminated by heavy residual fuel oil (mazut)
VL  - 78
IS  - 7
SP  - 1035
EP  - 1043
DO  - 10.2298/JSC120829106A
ER  - 

@article{
author = "Ramadan, Muftah Mohamed Ali and Šolević Knudsen, Tatjana and Antić, Mališa and Beškoski, Vladimir and Vrvić, Miroslav and Schwarzbauer, Jan and Jovančićević, Branimir",
year = "2013",
abstract = "It is well known that during biodegradation of oil under natural geological conditions, or oil pollutants in the environment, degradation of hydrocarbons occurs according to a well-defined sequence. For example, the major changes during the degradation process of n-alkanes occur in the second, slight and third, moderate level (on the biodegradation scale from 1 to 10). According to previous research, in the fourth, heavy level, when intensive changes of phenanthrene and its methyl isomers begin, n-alkanes have already been completely removed. In this paper, the ex situ natural bioremediation (non-stimulated bioremediation, without addition of biomass, nutrient substances and biosurfactant) of soil contaminated with heavy residual fuel oil (mazut) was conducted during a period of 6 months. Low abundance of n-alkanes in the fraction of total saturated hydrocarbons in the initial sample (identification was possible only after concentration by the urea adduction technique) showed that the investigated oil pollutant was at the boundary between the third and the fourth biodegradation level. During the experiment, an intense degradation of phenanthrene and its methyl-, dimethyl- and tri-methyl-isomers was not accompanied by the removal of the remaining n-alkanes. The abundance of n-alkanes remained at the initial low level, even at end of the experiment when the pollutant reached one of the highest biodegradation levels. These results showed that the non-stimulated biodegradation of some hydrocarbons, despite their high biodegradability, had not proceeded completely to the end, even at final degradation stages. Under the condition of reduced availability of some hydrocarbons, microorganisms tend to opt for the less biodegradable but more accessible hydrocarbons.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Degradability of n-alkanes during ex situ natural bioremediation of soil contaminated by heavy residual fuel oil (mazut)",
volume = "78",
number = "7",
pages = "1035-1043",
doi = "10.2298/JSC120829106A"
}

Ramadan, M. M. A., Šolević Knudsen, T., Antić, M., Beškoski, V., Vrvić, M., Schwarzbauer, J.,& Jovančićević, B.. (2013). Degradability of n-alkanes during ex situ natural bioremediation of soil contaminated by heavy residual fuel oil (mazut). in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 78(7), 1035-1043.
https://doi.org/10.2298/JSC120829106A

Ramadan MMA, Šolević Knudsen T, Antić M, Beškoski V, Vrvić M, Schwarzbauer J, Jovančićević B. Degradability of n-alkanes during ex situ natural bioremediation of soil contaminated by heavy residual fuel oil (mazut). in Journal of the Serbian Chemical Society. 2013;78(7):1035-1043.
doi:10.2298/JSC120829106A .

Ramadan, Muftah Mohamed Ali, Šolević Knudsen, Tatjana, Antić, Mališa, Beškoski, Vladimir, Vrvić, Miroslav, Schwarzbauer, Jan, Jovančićević, Branimir, "Degradability of n-alkanes during ex situ natural bioremediation of soil contaminated by heavy residual fuel oil (mazut)" in Journal of the Serbian Chemical Society, 78, no. 7 (2013):1035-1043,
https://doi.org/10.2298/JSC120829106A . .

TY  - JOUR
AU  - Ostojić, Bojana
AU  - Jensen, Per
AU  - Schwerdtfeger, Peter
AU  - Bunker, P. R.
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1254
AB  - In accordance with previous studies in our group on Be, Mg, and Ca hypermetallic oxides, we find that SrOSr has a linear (X) over tilde (1)Sigma(+)(g) ground electronic state and a very low lying first excited (a) over tilde (3)Sigma(+)(u) triplet electronic state. No gas-phase spectrum of this molecule has been assigned yet, and to encourage and assist in its discovery we present a complete ab initio simulation, with absolute intensities, of the infrared absorption spectrum for both electronic states. The three-dimensional potential energy surfaces and the electric dipole moment surfaces of the (X) over tilde (1)Sigma(+)(g) and (a) over tilde (3)Sigma(+)(u) electronic states are calculated using a multireference configuration interaction (MRCISD) approach in combination with internally contracted rnultireference perturbation theory (RS2C) based on complete active space self consistent field (CASSCF) wave functions applying a Sadlej pVTZ basis set for both O and Sr and the Stuttgart relativistic small core effective core potential for Sr. The infrared spectra are simulated using the MORBID program system. We also calculate vertical excitation energies and transition moments for several excited singlet and triplet electronic states in order to predict the positions and intensities of the most prominent singlet and triplet electronic absorption bands. Finally, for this heavy molecule, we calculate the singlet-triplet interaction matrix elements between close-lying vibronic levels of the (X) over tilde and (a) over tilde electronic states and find them to be,very small.
PB  - American Chemical Society (ACS)
T2  - Journal of Physical Chemistry A
T1  - The Predicted Spectrum and Singlet-Triplet Interaction of the Hypermetallic Molecule SrOSr
VL  - 117
IS  - 39
SP  - 9370
EP  - 9379
DO  - 10.1021/jp310531s
ER  - 

@article{
author = "Ostojić, Bojana and Jensen, Per and Schwerdtfeger, Peter and Bunker, P. R.",
year = "2013",
abstract = "In accordance with previous studies in our group on Be, Mg, and Ca hypermetallic oxides, we find that SrOSr has a linear (X) over tilde (1)Sigma(+)(g) ground electronic state and a very low lying first excited (a) over tilde (3)Sigma(+)(u) triplet electronic state. No gas-phase spectrum of this molecule has been assigned yet, and to encourage and assist in its discovery we present a complete ab initio simulation, with absolute intensities, of the infrared absorption spectrum for both electronic states. The three-dimensional potential energy surfaces and the electric dipole moment surfaces of the (X) over tilde (1)Sigma(+)(g) and (a) over tilde (3)Sigma(+)(u) electronic states are calculated using a multireference configuration interaction (MRCISD) approach in combination with internally contracted rnultireference perturbation theory (RS2C) based on complete active space self consistent field (CASSCF) wave functions applying a Sadlej pVTZ basis set for both O and Sr and the Stuttgart relativistic small core effective core potential for Sr. The infrared spectra are simulated using the MORBID program system. We also calculate vertical excitation energies and transition moments for several excited singlet and triplet electronic states in order to predict the positions and intensities of the most prominent singlet and triplet electronic absorption bands. Finally, for this heavy molecule, we calculate the singlet-triplet interaction matrix elements between close-lying vibronic levels of the (X) over tilde and (a) over tilde electronic states and find them to be,very small.",
publisher = "American Chemical Society (ACS)",
journal = "Journal of Physical Chemistry A",
title = "The Predicted Spectrum and Singlet-Triplet Interaction of the Hypermetallic Molecule SrOSr",
volume = "117",
number = "39",
pages = "9370-9379",
doi = "10.1021/jp310531s"
}

Ostojić, B., Jensen, P., Schwerdtfeger, P.,& Bunker, P. R.. (2013). The Predicted Spectrum and Singlet-Triplet Interaction of the Hypermetallic Molecule SrOSr. in Journal of Physical Chemistry A
American Chemical Society (ACS)., 117(39), 9370-9379.
https://doi.org/10.1021/jp310531s

Ostojić B, Jensen P, Schwerdtfeger P, Bunker PR. The Predicted Spectrum and Singlet-Triplet Interaction of the Hypermetallic Molecule SrOSr. in Journal of Physical Chemistry A. 2013;117(39):9370-9379.
doi:10.1021/jp310531s .

Ostojić, Bojana, Jensen, Per, Schwerdtfeger, Peter, Bunker, P. R., "The Predicted Spectrum and Singlet-Triplet Interaction of the Hypermetallic Molecule SrOSr" in Journal of Physical Chemistry A, 117, no. 39 (2013):9370-9379,
https://doi.org/10.1021/jp310531s . .

TY  - JOUR
AU  - Andrić, Jelena M.
AU  - Janjić, Goran
AU  - Ninković, Dragan B.
AU  - Zarić, Snežana D.
PY  - 2012
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/982
AB  - The geometry of hydrogen bonds in the crystal structures from the Cambridge Structural Database and calculated data show that water coordination to a metal ion has a remarkable influence on hydrogen bonds. The calculated energies of hydrogen bonds of coordinated water are much stronger, even if the aqua complex is neutral.
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - The influence of water molecule coordination to a metal ion on water hydrogen bonds
VL  - 14
IS  - 31
SP  - 10896
EP  - 10898
DO  - 10.1039/c2cp41125c
ER  - 

@article{
author = "Andrić, Jelena M. and Janjić, Goran and Ninković, Dragan B. and Zarić, Snežana D.",
year = "2012",
abstract = "The geometry of hydrogen bonds in the crystal structures from the Cambridge Structural Database and calculated data show that water coordination to a metal ion has a remarkable influence on hydrogen bonds. The calculated energies of hydrogen bonds of coordinated water are much stronger, even if the aqua complex is neutral.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "The influence of water molecule coordination to a metal ion on water hydrogen bonds",
volume = "14",
number = "31",
pages = "10896-10898",
doi = "10.1039/c2cp41125c"
}

Andrić, J. M., Janjić, G., Ninković, D. B.,& Zarić, S. D.. (2012). The influence of water molecule coordination to a metal ion on water hydrogen bonds. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge., 14(31), 10896-10898.
https://doi.org/10.1039/c2cp41125c

Andrić JM, Janjić G, Ninković DB, Zarić SD. The influence of water molecule coordination to a metal ion on water hydrogen bonds. in Physical Chemistry Chemical Physics. 2012;14(31):10896-10898.
doi:10.1039/c2cp41125c .

Andrić, Jelena M., Janjić, Goran, Ninković, Dragan B., Zarić, Snežana D., "The influence of water molecule coordination to a metal ion on water hydrogen bonds" in Physical Chemistry Chemical Physics, 14, no. 31 (2012):10896-10898,
https://doi.org/10.1039/c2cp41125c . .

TY  - JOUR
AU  - Ninković, Dragan B.
AU  - Janjić, Goran
AU  - Zarić, Snežana D.
PY  - 2012
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1034
AB  - Stacking interactions between pyridine molecules and the influence of simultaneous hydrogen bonds were studied by analyzing data in the Cambridge Structural Database (CSD) and by ab initio calculations. The results show remarkably stronger stacking interactions of pyridines with hydrogen bonds, because of local parallel alignment interactions of OH bonds with the aromatic ring. Data in the crystal structures from the CSD and ab initio calculations show that normal distances (R) in stacking interactions of pyridines with simultaneous hydrogen bonds are shorter than those in stacking interactions without simultaneous hydrogen bonds. Furthermore, the calculated binding energies for stacking are substantially stronger when the pyridines have hydrogen bonds; the binding energy of the stacking interaction between pyridine water dimers is -6.86 kcal/mol, while that between pyridines is -4.08 kcal/mol. Surprisingly, in the minimum energy structure of the stacked pyridine water dimers, the contribution of the local parallel-alignment interactions between water and the other pyridine (-2.98 kcal/mol) is slightly larger than the contribution of the stacking interaction between two pyridine molecules (-2.67 kcal/mol). The local influence of hydrogen bonds on stacking, via parallel alignment interactions, can be very important for all systems with heteroaromatic molecules and groups, especially DNA and RNA.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Crystallographic and ab Initio Study of Pyridine Stacking Interactions. Local Nature of Hydrogen Bond Effect in Stacking Interactions
VL  - 12
IS  - 3
SP  - 1060
EP  - 1063
DO  - 10.1021/cg201389y
ER  - 

@article{
author = "Ninković, Dragan B. and Janjić, Goran and Zarić, Snežana D.",
year = "2012",
abstract = "Stacking interactions between pyridine molecules and the influence of simultaneous hydrogen bonds were studied by analyzing data in the Cambridge Structural Database (CSD) and by ab initio calculations. The results show remarkably stronger stacking interactions of pyridines with hydrogen bonds, because of local parallel alignment interactions of OH bonds with the aromatic ring. Data in the crystal structures from the CSD and ab initio calculations show that normal distances (R) in stacking interactions of pyridines with simultaneous hydrogen bonds are shorter than those in stacking interactions without simultaneous hydrogen bonds. Furthermore, the calculated binding energies for stacking are substantially stronger when the pyridines have hydrogen bonds; the binding energy of the stacking interaction between pyridine water dimers is -6.86 kcal/mol, while that between pyridines is -4.08 kcal/mol. Surprisingly, in the minimum energy structure of the stacked pyridine water dimers, the contribution of the local parallel-alignment interactions between water and the other pyridine (-2.98 kcal/mol) is slightly larger than the contribution of the stacking interaction between two pyridine molecules (-2.67 kcal/mol). The local influence of hydrogen bonds on stacking, via parallel alignment interactions, can be very important for all systems with heteroaromatic molecules and groups, especially DNA and RNA.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Crystallographic and ab Initio Study of Pyridine Stacking Interactions. Local Nature of Hydrogen Bond Effect in Stacking Interactions",
volume = "12",
number = "3",
pages = "1060-1063",
doi = "10.1021/cg201389y"
}

Ninković, D. B., Janjić, G.,& Zarić, S. D.. (2012). Crystallographic and ab Initio Study of Pyridine Stacking Interactions. Local Nature of Hydrogen Bond Effect in Stacking Interactions. in Crystal Growth & Design
American Chemical Society (ACS)., 12(3), 1060-1063.
https://doi.org/10.1021/cg201389y

Ninković DB, Janjić G, Zarić SD. Crystallographic and ab Initio Study of Pyridine Stacking Interactions. Local Nature of Hydrogen Bond Effect in Stacking Interactions. in Crystal Growth & Design. 2012;12(3):1060-1063.
doi:10.1021/cg201389y .

Ninković, Dragan B., Janjić, Goran, Zarić, Snežana D., "Crystallographic and ab Initio Study of Pyridine Stacking Interactions. Local Nature of Hydrogen Bond Effect in Stacking Interactions" in Crystal Growth & Design, 12, no. 3 (2012):1060-1063,
https://doi.org/10.1021/cg201389y . .

TY  - JOUR
AU  - Medaković, Vesna
AU  - Bogdanović, Goran A.
AU  - Milčić, Miloš
AU  - Janjić, Goran
AU  - Zarić, Snežana D.
PY  - 2012
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1121
AB  - CH/pi interactions in metal porphyrinato complexes were studied by analyzing data in crystal structures from the Cambridge Structural Database (CSD) and by quantum chemical calculations. The analysis of the data in the CSD shows that both five-membered pyrrole and six-membered chelate rings form CH/pi interactions. The interactions occur more frequently with five-membered rings. The analysis of distances in crystal structures and calculated energies show stronger interactions with six-membered chelate rings, indicating that a larger number of interactions with five-membered rings are not the consequence of stronger interactions, but better accessibility of five-membered pyrrole rings. The calculated energies of the interactions with positions in six-membered rings are -2.09 to -2.83 kcal/mol, while the energies with five-membered rings are -2.05 to -2.26 kcal/mol. The results reveal that stronger interactions of six-membered rings are the consequence of stronger electrostatic interactions. Substituents on the porphyrin ring significantly strengthen the interactions. Substituents on the six-membered ring strengthen the interaction energy by about 20%. The results show that CH/pi interactions play an important role in molecular recognition of metalloporphyrins. The significant influence of the substituents on interaction energies can be very important for the design of model systems in bioinorganic chemistry.
PB  - Elsevier Science Inc, New York
T2  - Journal of Inorganic Biochemistry
T1  - CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors
VL  - 117
SP  - 157
EP  - 163
DO  - 10.1016/j.jinorgbio.2012.09.002
ER  - 

@article{
author = "Medaković, Vesna and Bogdanović, Goran A. and Milčić, Miloš and Janjić, Goran and Zarić, Snežana D.",
year = "2012",
abstract = "CH/pi interactions in metal porphyrinato complexes were studied by analyzing data in crystal structures from the Cambridge Structural Database (CSD) and by quantum chemical calculations. The analysis of the data in the CSD shows that both five-membered pyrrole and six-membered chelate rings form CH/pi interactions. The interactions occur more frequently with five-membered rings. The analysis of distances in crystal structures and calculated energies show stronger interactions with six-membered chelate rings, indicating that a larger number of interactions with five-membered rings are not the consequence of stronger interactions, but better accessibility of five-membered pyrrole rings. The calculated energies of the interactions with positions in six-membered rings are -2.09 to -2.83 kcal/mol, while the energies with five-membered rings are -2.05 to -2.26 kcal/mol. The results reveal that stronger interactions of six-membered rings are the consequence of stronger electrostatic interactions. Substituents on the porphyrin ring significantly strengthen the interactions. Substituents on the six-membered ring strengthen the interaction energy by about 20%. The results show that CH/pi interactions play an important role in molecular recognition of metalloporphyrins. The significant influence of the substituents on interaction energies can be very important for the design of model systems in bioinorganic chemistry.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Inorganic Biochemistry",
title = "CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors",
volume = "117",
pages = "157-163",
doi = "10.1016/j.jinorgbio.2012.09.002"
}

Medaković, V., Bogdanović, G. A., Milčić, M., Janjić, G.,& Zarić, S. D.. (2012). CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors. in Journal of Inorganic Biochemistry
Elsevier Science Inc, New York., 117, 157-163.
https://doi.org/10.1016/j.jinorgbio.2012.09.002

Medaković V, Bogdanović GA, Milčić M, Janjić G, Zarić SD. CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors. in Journal of Inorganic Biochemistry. 2012;117:157-163.
doi:10.1016/j.jinorgbio.2012.09.002 .

Medaković, Vesna, Bogdanović, Goran A., Milčić, Miloš, Janjić, Goran, Zarić, Snežana D., "CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors" in Journal of Inorganic Biochemistry, 117 (2012):157-163,
https://doi.org/10.1016/j.jinorgbio.2012.09.002 . .

TY  - JOUR
AU  - Ostojić, Bojana
AU  - Bunker, P. R.
AU  - Schwerdtfeger, Peter
AU  - Gertych, Artur
AU  - Jensen, Per
PY  - 2012
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1100
AB  - This study of CaOCa is our third paper in a series on Group 2 alkaline-earth M2O hypermetallic oxides. As with our previous calculations for BeOBe and MgOMg, the ab initio calculations we report here show that CaOCa has a linear 1 Sigma(+)(g) ground electronic state and a very low lying linear (a) over tilde (3)Sigma(+)(u) first excited triplet electronic state. For CaOCa we determine that the singlet-triplet splitting T-e((a) over tilde) = 386 cm(-1). We calculate the three-dimensional potential energy surface, and the electric dipole moment surfaces, of each of the two states using a multireference configuration interaction (MRCISD) approach in combination with internally contracted multireference perturbation theory (RS2C) based on full-valence complete active space self-consistent field (FV-CASSCF) wavefunctions with a cc-pwCVQZ-DK basis set for Ca and a cc-pCVQZ basis set for O. We simulate the infrared absorption spectra of Ca-40 (OCa)-O-16-Ca-40 in each of these electronic states in order to aid in its eventual spectroscopic characterization.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states (X)over-tilde(1)Sigma(+)(g); and (a)over-tilde(3)Sigma(+)(u)
VL  - 1023
SP  - 101
EP  - 107
DO  - 10.1016/j.molstruc.2012.03.048
ER  - 

@article{
author = "Ostojić, Bojana and Bunker, P. R. and Schwerdtfeger, Peter and Gertych, Artur and Jensen, Per",
year = "2012",
abstract = "This study of CaOCa is our third paper in a series on Group 2 alkaline-earth M2O hypermetallic oxides. As with our previous calculations for BeOBe and MgOMg, the ab initio calculations we report here show that CaOCa has a linear 1 Sigma(+)(g) ground electronic state and a very low lying linear (a) over tilde (3)Sigma(+)(u) first excited triplet electronic state. For CaOCa we determine that the singlet-triplet splitting T-e((a) over tilde) = 386 cm(-1). We calculate the three-dimensional potential energy surface, and the electric dipole moment surfaces, of each of the two states using a multireference configuration interaction (MRCISD) approach in combination with internally contracted multireference perturbation theory (RS2C) based on full-valence complete active space self-consistent field (FV-CASSCF) wavefunctions with a cc-pwCVQZ-DK basis set for Ca and a cc-pCVQZ basis set for O. We simulate the infrared absorption spectra of Ca-40 (OCa)-O-16-Ca-40 in each of these electronic states in order to aid in its eventual spectroscopic characterization.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states (X)over-tilde(1)Sigma(+)(g); and (a)over-tilde(3)Sigma(+)(u)",
volume = "1023",
pages = "101-107",
doi = "10.1016/j.molstruc.2012.03.048"
}

Ostojić, B., Bunker, P. R., Schwerdtfeger, P., Gertych, A.,& Jensen, P.. (2012). The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states (X)over-tilde(1)Sigma(+)(g); and (a)over-tilde(3)Sigma(+)(u). in Journal of Molecular Structure
Elsevier., 1023, 101-107.
https://doi.org/10.1016/j.molstruc.2012.03.048

Ostojić B, Bunker PR, Schwerdtfeger P, Gertych A, Jensen P. The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states (X)over-tilde(1)Sigma(+)(g); and (a)over-tilde(3)Sigma(+)(u). in Journal of Molecular Structure. 2012;1023:101-107.
doi:10.1016/j.molstruc.2012.03.048 .

Ostojić, Bojana, Bunker, P. R., Schwerdtfeger, Peter, Gertych, Artur, Jensen, Per, "The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states (X)over-tilde(1)Sigma(+)(g); and (a)over-tilde(3)Sigma(+)(u)" in Journal of Molecular Structure, 1023 (2012):101-107,
https://doi.org/10.1016/j.molstruc.2012.03.048 . .

TY  - JOUR
AU  - Kaluđerović, Goran N.
AU  - Mijatović, Sanja
AU  - Zmejkovski, Bojana
AU  - Bulatović, Mirna
AU  - Gómez-Ruiz, Santiago
AU  - Mojic, Marija K.
AU  - Steinborn, Dirk
AU  - Miljkovic, Djordje M.
AU  - Schmidt, Harry
AU  - Stosic-Grujicic, Stanislava D.
AU  - Sabo, Tibor
AU  - Maksimović-Ivanić, Danijela D.
PY  - 2012
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1112
AB  - Several new R(2)eddp (R = i-Pr, i-Bu; eddp = ethylenediamine-N,N'-di-3-propionate) esters and corresponding platinum(II) and platinum(IV) complexes of the general formula [PtCln(R(2)edda-type)] (n = 2, 4) were synthesized and characterized by spectroscopic methods (IR, H-1 and C-13 NMR) and elemental analysis. The crystal structure of platinum(IV) complex [PtCl4{(c-Pe)(2)eddip}] (3a) was resolved and is given herein. Ligand precursors, platinum(II), and platinum(IV) complexes were tested against eight tumor cell lines (CT26CL25, HTC116, SW620, PC3, LNCaP, U251, A375, and B16). Selectivity in the action of those compounds between tumor and two normal primary cells (fibroblasts and keratinocytes) are discussed. A structure-activity relationship of these compounds is discussed. Furthermore, cell cycle distribution, induction of necrosis, apoptosis, autophagy, anoikis, caspase activation, ROS, and RNS are presented on the cisplatin-resistant colon carcinoma HCT116 cell line.
PB  - Royal Soc Chemistry, Cambridge
T2  - Metallomics
T1  - Platinum(II/IV) complexes containing ethylenediamine-N,N '-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells
VL  - 4
IS  - 9
SP  - 979
EP  - 987
DO  - 10.1039/c2mt20058a
ER  - 

@article{
author = "Kaluđerović, Goran N. and Mijatović, Sanja and Zmejkovski, Bojana and Bulatović, Mirna and Gómez-Ruiz, Santiago and Mojic, Marija K. and Steinborn, Dirk and Miljkovic, Djordje M. and Schmidt, Harry and Stosic-Grujicic, Stanislava D. and Sabo, Tibor and Maksimović-Ivanić, Danijela D.",
year = "2012",
abstract = "Several new R(2)eddp (R = i-Pr, i-Bu; eddp = ethylenediamine-N,N'-di-3-propionate) esters and corresponding platinum(II) and platinum(IV) complexes of the general formula [PtCln(R(2)edda-type)] (n = 2, 4) were synthesized and characterized by spectroscopic methods (IR, H-1 and C-13 NMR) and elemental analysis. The crystal structure of platinum(IV) complex [PtCl4{(c-Pe)(2)eddip}] (3a) was resolved and is given herein. Ligand precursors, platinum(II), and platinum(IV) complexes were tested against eight tumor cell lines (CT26CL25, HTC116, SW620, PC3, LNCaP, U251, A375, and B16). Selectivity in the action of those compounds between tumor and two normal primary cells (fibroblasts and keratinocytes) are discussed. A structure-activity relationship of these compounds is discussed. Furthermore, cell cycle distribution, induction of necrosis, apoptosis, autophagy, anoikis, caspase activation, ROS, and RNS are presented on the cisplatin-resistant colon carcinoma HCT116 cell line.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Metallomics",
title = "Platinum(II/IV) complexes containing ethylenediamine-N,N '-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells",
volume = "4",
number = "9",
pages = "979-987",
doi = "10.1039/c2mt20058a"
}

Kaluđerović, G. N., Mijatović, S., Zmejkovski, B., Bulatović, M., Gómez-Ruiz, S., Mojic, M. K., Steinborn, D., Miljkovic, D. M., Schmidt, H., Stosic-Grujicic, S. D., Sabo, T.,& Maksimović-Ivanić, D. D.. (2012). Platinum(II/IV) complexes containing ethylenediamine-N,N '-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells. in Metallomics
Royal Soc Chemistry, Cambridge., 4(9), 979-987.
https://doi.org/10.1039/c2mt20058a

Kaluđerović GN, Mijatović S, Zmejkovski B, Bulatović M, Gómez-Ruiz S, Mojic MK, Steinborn D, Miljkovic DM, Schmidt H, Stosic-Grujicic SD, Sabo T, Maksimović-Ivanić DD. Platinum(II/IV) complexes containing ethylenediamine-N,N '-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells. in Metallomics. 2012;4(9):979-987.
doi:10.1039/c2mt20058a .

Kaluđerović, Goran N., Mijatović, Sanja, Zmejkovski, Bojana, Bulatović, Mirna, Gómez-Ruiz, Santiago, Mojic, Marija K., Steinborn, Dirk, Miljkovic, Djordje M., Schmidt, Harry, Stosic-Grujicic, Stanislava D., Sabo, Tibor, Maksimović-Ivanić, Danijela D., "Platinum(II/IV) complexes containing ethylenediamine-N,N '-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells" in Metallomics, 4, no. 9 (2012):979-987,
https://doi.org/10.1039/c2mt20058a . .

TY  - JOUR
AU  - Janjić, Goran
AU  - Petrović, Predrag V.
AU  - Ninković, Dragan B.
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/797
AB  - Stacking interactions of phenanthroline square-planar complexes in crystal structures were studied by analyzing data from the Cambridge Structural Database. In most of the crystal structures, two phenanthroline complexes were oriented "head to tail." Phenanthroline complexes show a wide range of overlap geometries in stacking interactions, while short metal-metal distances were not observed. Stacking chains with alternating overlaps were the predominant type of packing in the crystal structures.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes
VL  - 17
IS  - 8
SP  - 2083
EP  - 2092
DO  - 10.1007/s00894-010-0905-3
ER  - 

@article{
author = "Janjić, Goran and Petrović, Predrag V. and Ninković, Dragan B. and Zarić, Snežana D.",
year = "2011",
abstract = "Stacking interactions of phenanthroline square-planar complexes in crystal structures were studied by analyzing data from the Cambridge Structural Database. In most of the crystal structures, two phenanthroline complexes were oriented "head to tail." Phenanthroline complexes show a wide range of overlap geometries in stacking interactions, while short metal-metal distances were not observed. Stacking chains with alternating overlaps were the predominant type of packing in the crystal structures.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes",
volume = "17",
number = "8",
pages = "2083-2092",
doi = "10.1007/s00894-010-0905-3"
}

Janjić, G., Petrović, P. V., Ninković, D. B.,& Zarić, S. D.. (2011). Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes. in Journal of Molecular Modeling
Springer, New York., 17(8), 2083-2092.
https://doi.org/10.1007/s00894-010-0905-3

Janjić G, Petrović PV, Ninković DB, Zarić SD. Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes. in Journal of Molecular Modeling. 2011;17(8):2083-2092.
doi:10.1007/s00894-010-0905-3 .

Janjić, Goran, Petrović, Predrag V., Ninković, Dragan B., Zarić, Snežana D., "Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes" in Journal of Molecular Modeling, 17, no. 8 (2011):2083-2092,
https://doi.org/10.1007/s00894-010-0905-3 . .

TY  - JOUR
AU  - Ninković, Dragan B.
AU  - Janjić, Goran
AU  - Veljković, Dušan
AU  - Sredojević, Dušan
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/878
PB  - Wiley-Blackwell, Malden
T2  - Chemphyschem
T1  - What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements
VL  - 12
IS  - 18
SP  - 3511
EP  - 3514
DO  - 10.1002/cphc.201100777
ER  - 

@article{
author = "Ninković, Dragan B. and Janjić, Goran and Veljković, Dušan and Sredojević, Dušan and Zarić, Snežana D.",
year = "2011",
publisher = "Wiley-Blackwell, Malden",
journal = "Chemphyschem",
title = "What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements",
volume = "12",
number = "18",
pages = "3511-3514",
doi = "10.1002/cphc.201100777"
}

Ninković, D. B., Janjić, G., Veljković, D., Sredojević, D.,& Zarić, S. D.. (2011). What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements. in Chemphyschem
Wiley-Blackwell, Malden., 12(18), 3511-3514.
https://doi.org/10.1002/cphc.201100777

Ninković DB, Janjić G, Veljković D, Sredojević D, Zarić SD. What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements. in Chemphyschem. 2011;12(18):3511-3514.
doi:10.1002/cphc.201100777 .

Ninković, Dragan B., Janjić, Goran, Veljković, Dušan, Sredojević, Dušan, Zarić, Snežana D., "What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements" in Chemphyschem, 12, no. 18 (2011):3511-3514,
https://doi.org/10.1002/cphc.201100777 . .

TY  - JOUR
AU  - Ilić, Mila
AU  - Antić, Mališa
AU  - Antić, Vesna
AU  - Schwarzbauer, Jan
AU  - Vrvić, Miroslav
AU  - Jovančićević, Branimir
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/889
AB  - Bioremediation potential of bacteria and fungi isolated from sludge samples has been investigated (Danube alluvium, Panevo, Serbia). Total isolated microorganisms were divided into three parts. One part was added with actidione antifungicide. The second part was added with streptomycin antibiotic. The third part was without additives. Paraffinic type of crude oil was a substrate for assessment of bioremediation potential. The simulated oil biodegradation lasted 30, 60 and 90 days. Parallel with that, the experiments with blind trial were conducted. Extracts were isolated from the samples with chloroform in a separate funnel. They were assayed for the group composition (alkanes, aromatics, alcohols and fatty acids) by column chromatography. Alkane fraction was analysed by gas chromatography-mass spectrometry (GC-MS). The most intense oil degradation was achieved in the experiments with bacteria, somewhat weaker with consortium of fungi and bacteria, and the weakest bioremediation potential in these experiments was shown by fungi.
PB  - Springer Heidelberg, Heidelberg
T2  - Environmental Chemistry Letters
T1  - Investigation of bioremediation potential of zymogenous bacteria and fungi for crude oil degradation
VL  - 9
IS  - 1
SP  - 133
EP  - 140
DO  - 10.1007/s10311-009-0257-3
ER  - 

@article{
author = "Ilić, Mila and Antić, Mališa and Antić, Vesna and Schwarzbauer, Jan and Vrvić, Miroslav and Jovančićević, Branimir",
year = "2011",
abstract = "Bioremediation potential of bacteria and fungi isolated from sludge samples has been investigated (Danube alluvium, Panevo, Serbia). Total isolated microorganisms were divided into three parts. One part was added with actidione antifungicide. The second part was added with streptomycin antibiotic. The third part was without additives. Paraffinic type of crude oil was a substrate for assessment of bioremediation potential. The simulated oil biodegradation lasted 30, 60 and 90 days. Parallel with that, the experiments with blind trial were conducted. Extracts were isolated from the samples with chloroform in a separate funnel. They were assayed for the group composition (alkanes, aromatics, alcohols and fatty acids) by column chromatography. Alkane fraction was analysed by gas chromatography-mass spectrometry (GC-MS). The most intense oil degradation was achieved in the experiments with bacteria, somewhat weaker with consortium of fungi and bacteria, and the weakest bioremediation potential in these experiments was shown by fungi.",
publisher = "Springer Heidelberg, Heidelberg",
journal = "Environmental Chemistry Letters",
title = "Investigation of bioremediation potential of zymogenous bacteria and fungi for crude oil degradation",
volume = "9",
number = "1",
pages = "133-140",
doi = "10.1007/s10311-009-0257-3"
}

Ilić, M., Antić, M., Antić, V., Schwarzbauer, J., Vrvić, M.,& Jovančićević, B.. (2011). Investigation of bioremediation potential of zymogenous bacteria and fungi for crude oil degradation. in Environmental Chemistry Letters
Springer Heidelberg, Heidelberg., 9(1), 133-140.
https://doi.org/10.1007/s10311-009-0257-3

Ilić M, Antić M, Antić V, Schwarzbauer J, Vrvić M, Jovančićević B. Investigation of bioremediation potential of zymogenous bacteria and fungi for crude oil degradation. in Environmental Chemistry Letters. 2011;9(1):133-140.
doi:10.1007/s10311-009-0257-3 .

Ilić, Mila, Antić, Mališa, Antić, Vesna, Schwarzbauer, Jan, Vrvić, Miroslav, Jovančićević, Branimir, "Investigation of bioremediation potential of zymogenous bacteria and fungi for crude oil degradation" in Environmental Chemistry Letters, 9, no. 1 (2011):133-140,
https://doi.org/10.1007/s10311-009-0257-3 . .

TY  - JOUR
AU  - Janjić, Goran
AU  - Veljković, Dušan
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/787
AB  - Analysis of crystal structures from the Cambridge Structural Database (CSD) and high level ab initio calculations reveals that the water/aromatic parallel alignment interactions; where the water molecule or one of its 0 H bonds is parallel to the aromatic ring plane, can be significantly strong at large horizontal displacements. We found out that the strongest energies of the interactions are calculated for the water position with the large horizontal displacements, out of the aromatic ring and out of the C-H bond region. For calculated systems, normal distances were decreasing with increasing the horizontal displacement, in accord with the data found in crystal structures. The calculated energies of the interactions are significant, up to Delta E-CCSD(T)(limit) = -10.25 kJ/mol (at a horizontal displacement of 2.6 angstrom), and comparable with the energy of the slipped-parallel benzene/benzene dimer. Both dispersion and electrostatic components of the interaction energy are important. The calculated interaction energies reveal that also at long horizontal displacements of 3.5 angstrom, interaction is substantially strong, up to Delta E-CCSD(T(limit) = -623 kJ/mol. The data show the existence of the water/aromatic parallel alignment interactions in crystal structures and indicate their importance for various systems.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Water/Aromatic Parallel Alignment Interactions. Significant Interactions at Large Horizontal Displacements
VL  - 11
IS  - 7
SP  - 2680
EP  - 2683
DO  - 10.1021/cg101208q
ER  - 

@article{
author = "Janjić, Goran and Veljković, Dušan and Zarić, Snežana D.",
year = "2011",
abstract = "Analysis of crystal structures from the Cambridge Structural Database (CSD) and high level ab initio calculations reveals that the water/aromatic parallel alignment interactions; where the water molecule or one of its 0 H bonds is parallel to the aromatic ring plane, can be significantly strong at large horizontal displacements. We found out that the strongest energies of the interactions are calculated for the water position with the large horizontal displacements, out of the aromatic ring and out of the C-H bond region. For calculated systems, normal distances were decreasing with increasing the horizontal displacement, in accord with the data found in crystal structures. The calculated energies of the interactions are significant, up to Delta E-CCSD(T)(limit) = -10.25 kJ/mol (at a horizontal displacement of 2.6 angstrom), and comparable with the energy of the slipped-parallel benzene/benzene dimer. Both dispersion and electrostatic components of the interaction energy are important. The calculated interaction energies reveal that also at long horizontal displacements of 3.5 angstrom, interaction is substantially strong, up to Delta E-CCSD(T(limit) = -623 kJ/mol. The data show the existence of the water/aromatic parallel alignment interactions in crystal structures and indicate their importance for various systems.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Water/Aromatic Parallel Alignment Interactions. Significant Interactions at Large Horizontal Displacements",
volume = "11",
number = "7",
pages = "2680-2683",
doi = "10.1021/cg101208q"
}

Janjić, G., Veljković, D.,& Zarić, S. D.. (2011). Water/Aromatic Parallel Alignment Interactions. Significant Interactions at Large Horizontal Displacements. in Crystal Growth & Design
American Chemical Society (ACS)., 11(7), 2680-2683.
https://doi.org/10.1021/cg101208q

Janjić G, Veljković D, Zarić SD. Water/Aromatic Parallel Alignment Interactions. Significant Interactions at Large Horizontal Displacements. in Crystal Growth & Design. 2011;11(7):2680-2683.
doi:10.1021/cg101208q .

Janjić, Goran, Veljković, Dušan, Zarić, Snežana D., "Water/Aromatic Parallel Alignment Interactions. Significant Interactions at Large Horizontal Displacements" in Crystal Growth & Design, 11, no. 7 (2011):2680-2683,
https://doi.org/10.1021/cg101208q . .

TY  - JOUR
AU  - Veljković, Dušan
AU  - Janjić, Goran
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/793
AB  - The angular distribution of the C-H center dot center dot center dot O interactions of aromatic C-H donors was studied by analyzing data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the C-H center dot center dot center dot O interactions in the crystal structures from the CSD indicate that aromatic C-H donors do not show strong preference for linear contacts and that the preference depends on the type of the atom or group in the o-position to the interacting C-H group. Namely, the acceptor oxygen atom has possibility for simultaneous C-H center dot center dot center dot O interactions with the hydrogen atom in the o-position to the interacting C-H group. The C-H center dot center dot center dot O interactions of aromatic molecules with two hydrogen atoms in the o-positions do not show preference for linear contacts. Bifurcated interactions are observed in a substantial number of structures. Moreover, in the structures with a substituent in the o-position there is possibility for simultaneous interactions, depending on the nature of the substituent. The results of the ab initio calculations are in accord with the CSD data and show that the stabilization energy is larger for bifurcated than for linear interactions. The calculated energies at the MP2/cc-pVTZ level for linear C-H center dot center dot center dot O interactions of benzene with water, methanol, and acetone are 1.28, 1.47, 1.45 kcal mol(-1); while for bifurcated interactions are 1.38, 1.63, and 1.70 kcal mol(-1), respectively. Analysis of the data in the CSD and the ab initio calculations indicate that the vicinity of the other possible hydrogen donors in the aromatic molecules causes a small tendency for linear contact in the C-H center dot center dot center dot O interactions. The result that nonlinear interactions are not energetically disfavoured, because of the possibility for simultaneous interactions, can be very important for recognizing C-H center dot center dot center dot O interactions in biomolecules containing aromatic groups, like proteins.
PB  - Royal Soc Chemistry, Cambridge
T2  - Crystengcomm
T1  - Are C-H center dot center dot center dot O interactions linear? The case of aromatic CH donors
VL  - 13
IS  - 15
SP  - 5005
EP  - 5010
DO  - 10.1039/c1ce05065f
ER  - 

@article{
author = "Veljković, Dušan and Janjić, Goran and Zarić, Snežana D.",
year = "2011",
abstract = "The angular distribution of the C-H center dot center dot center dot O interactions of aromatic C-H donors was studied by analyzing data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the C-H center dot center dot center dot O interactions in the crystal structures from the CSD indicate that aromatic C-H donors do not show strong preference for linear contacts and that the preference depends on the type of the atom or group in the o-position to the interacting C-H group. Namely, the acceptor oxygen atom has possibility for simultaneous C-H center dot center dot center dot O interactions with the hydrogen atom in the o-position to the interacting C-H group. The C-H center dot center dot center dot O interactions of aromatic molecules with two hydrogen atoms in the o-positions do not show preference for linear contacts. Bifurcated interactions are observed in a substantial number of structures. Moreover, in the structures with a substituent in the o-position there is possibility for simultaneous interactions, depending on the nature of the substituent. The results of the ab initio calculations are in accord with the CSD data and show that the stabilization energy is larger for bifurcated than for linear interactions. The calculated energies at the MP2/cc-pVTZ level for linear C-H center dot center dot center dot O interactions of benzene with water, methanol, and acetone are 1.28, 1.47, 1.45 kcal mol(-1); while for bifurcated interactions are 1.38, 1.63, and 1.70 kcal mol(-1), respectively. Analysis of the data in the CSD and the ab initio calculations indicate that the vicinity of the other possible hydrogen donors in the aromatic molecules causes a small tendency for linear contact in the C-H center dot center dot center dot O interactions. The result that nonlinear interactions are not energetically disfavoured, because of the possibility for simultaneous interactions, can be very important for recognizing C-H center dot center dot center dot O interactions in biomolecules containing aromatic groups, like proteins.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Crystengcomm",
title = "Are C-H center dot center dot center dot O interactions linear? The case of aromatic CH donors",
volume = "13",
number = "15",
pages = "5005-5010",
doi = "10.1039/c1ce05065f"
}

Veljković, D., Janjić, G.,& Zarić, S. D.. (2011). Are C-H center dot center dot center dot O interactions linear? The case of aromatic CH donors. in Crystengcomm
Royal Soc Chemistry, Cambridge., 13(15), 5005-5010.
https://doi.org/10.1039/c1ce05065f

Veljković D, Janjić G, Zarić SD. Are C-H center dot center dot center dot O interactions linear? The case of aromatic CH donors. in Crystengcomm. 2011;13(15):5005-5010.
doi:10.1039/c1ce05065f .

Veljković, Dušan, Janjić, Goran, Zarić, Snežana D., "Are C-H center dot center dot center dot O interactions linear? The case of aromatic CH donors" in Crystengcomm, 13, no. 15 (2011):5005-5010,
https://doi.org/10.1039/c1ce05065f . .

TY  - JOUR
AU  - Stojanović, Ksenija
AU  - Jovančićević, Branimir
AU  - Šajnović, Aleksandra
AU  - Sabo, Tibor
AU  - Vitorović, Dragomir
AU  - Schwarzbauer, Jan
AU  - Golovko, Anatoly
PY  - 2009
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/554
AB  - This paper is aimed at investigating the origin and geological history of the biodegraded Gaj (Serbia) crude oil, based on comparison of biomarkers, particularly alkylaromatics, in crude oil maltene fraction, with those in the liquid raw asphaltene pyrolysis products. The content of asphaltenes in crude oils being generally very low, expecting a higher yield of pyrolysate, pyrolysis of raw asphaltenes was also carried out in the presence of Pt(IV)- and Ru(III)-ions. The used metal ions demonstrated positive effects on the yields of total liquid pyrolysate and corresponding hydrocarbons. Occluded maltene and asphaltene pyrolysis products showed that metal ions had considerably stronger effect on maturation changes in naphthalene and phenanthrene rings than in polycyclic alkanes. The values of maturity parameters observed in maltenes and pyrolysates suggested this crude oil to have been expelled from the source before the "oil window" maximum. The investigated sample of the Gaj crude oil was shown to be in the 4th stage of bio-degradation scale and to have originated from source rocks poor in clays, most probably carbonates, with significant contribution of algae to oil precursor biomass, deposited under a stratified saline water column.
PB  - Elsevier Sci Ltd, Oxford
T2  - Fuel
T1  - Pyrolysis and Pt(IV)- and Ru(III)-ion catalyzed pyrolysis of asphaltenes in organic geochemical investigation of a biodegraded crude oil (Gaj, Serbia)
VL  - 88
IS  - 2
SP  - 287
EP  - 296
DO  - 10.1016/j.fuel.2008.09.014
ER  - 

@article{
author = "Stojanović, Ksenija and Jovančićević, Branimir and Šajnović, Aleksandra and Sabo, Tibor and Vitorović, Dragomir and Schwarzbauer, Jan and Golovko, Anatoly",
year = "2009",
abstract = "This paper is aimed at investigating the origin and geological history of the biodegraded Gaj (Serbia) crude oil, based on comparison of biomarkers, particularly alkylaromatics, in crude oil maltene fraction, with those in the liquid raw asphaltene pyrolysis products. The content of asphaltenes in crude oils being generally very low, expecting a higher yield of pyrolysate, pyrolysis of raw asphaltenes was also carried out in the presence of Pt(IV)- and Ru(III)-ions. The used metal ions demonstrated positive effects on the yields of total liquid pyrolysate and corresponding hydrocarbons. Occluded maltene and asphaltene pyrolysis products showed that metal ions had considerably stronger effect on maturation changes in naphthalene and phenanthrene rings than in polycyclic alkanes. The values of maturity parameters observed in maltenes and pyrolysates suggested this crude oil to have been expelled from the source before the "oil window" maximum. The investigated sample of the Gaj crude oil was shown to be in the 4th stage of bio-degradation scale and to have originated from source rocks poor in clays, most probably carbonates, with significant contribution of algae to oil precursor biomass, deposited under a stratified saline water column.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Fuel",
title = "Pyrolysis and Pt(IV)- and Ru(III)-ion catalyzed pyrolysis of asphaltenes in organic geochemical investigation of a biodegraded crude oil (Gaj, Serbia)",
volume = "88",
number = "2",
pages = "287-296",
doi = "10.1016/j.fuel.2008.09.014"
}

Stojanović, K., Jovančićević, B., Šajnović, A., Sabo, T., Vitorović, D., Schwarzbauer, J.,& Golovko, A.. (2009). Pyrolysis and Pt(IV)- and Ru(III)-ion catalyzed pyrolysis of asphaltenes in organic geochemical investigation of a biodegraded crude oil (Gaj, Serbia). in Fuel
Elsevier Sci Ltd, Oxford., 88(2), 287-296.
https://doi.org/10.1016/j.fuel.2008.09.014

Stojanović K, Jovančićević B, Šajnović A, Sabo T, Vitorović D, Schwarzbauer J, Golovko A. Pyrolysis and Pt(IV)- and Ru(III)-ion catalyzed pyrolysis of asphaltenes in organic geochemical investigation of a biodegraded crude oil (Gaj, Serbia). in Fuel. 2009;88(2):287-296.
doi:10.1016/j.fuel.2008.09.014 .

Stojanović, Ksenija, Jovančićević, Branimir, Šajnović, Aleksandra, Sabo, Tibor, Vitorović, Dragomir, Schwarzbauer, Jan, Golovko, Anatoly, "Pyrolysis and Pt(IV)- and Ru(III)-ion catalyzed pyrolysis of asphaltenes in organic geochemical investigation of a biodegraded crude oil (Gaj, Serbia)" in Fuel, 88, no. 2 (2009):287-296,
https://doi.org/10.1016/j.fuel.2008.09.014 . .

TY  - JOUR
AU  - Lorenc, Ljubinka
AU  - Dabović, Milan
AU  - Juranić, Ivan
AU  - Mihailović, Milhailo Lj.
AU  - Snatzke, G
AU  - Tóth, G
PY  - 1982
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2696
AB  - Circular dichroism of the rearranged keto steroids 3 and 4, containing a condensed three and nine-membered ring system, shows that the conformation of the nine-membered ring is the same in solution as in the crystal; reduction of the kto group does not change this situation. CD also indicates that epimerization at C(5) in the pair 7 8 and the pair 11 12 leaves the cyclononanone ring conformation unchanged. © 1982.
PB  - Elsevier
T2  - Tetrahedron
T1  - Circular dichroism of some cyclopropane ring containing 1,3-cyclo-5,10-seco-steroidal ketones
VL  - 38
IS  - 21
SP  - 3163
EP  - 3168
DO  - 10.1016/0040-4020(82)80053-7
ER  - 

@article{
author = "Lorenc, Ljubinka and Dabović, Milan and Juranić, Ivan and Mihailović, Milhailo Lj. and Snatzke, G and Tóth, G",
year = "1982",
abstract = "Circular dichroism of the rearranged keto steroids 3 and 4, containing a condensed three and nine-membered ring system, shows that the conformation of the nine-membered ring is the same in solution as in the crystal; reduction of the kto group does not change this situation. CD also indicates that epimerization at C(5) in the pair 7 8 and the pair 11 12 leaves the cyclononanone ring conformation unchanged. © 1982.",
publisher = "Elsevier",
journal = "Tetrahedron",
title = "Circular dichroism of some cyclopropane ring containing 1,3-cyclo-5,10-seco-steroidal ketones",
volume = "38",
number = "21",
pages = "3163-3168",
doi = "10.1016/0040-4020(82)80053-7"
}

Lorenc, L., Dabović, M., Juranić, I., Mihailović, M. Lj., Snatzke, G.,& Tóth, G.. (1982). Circular dichroism of some cyclopropane ring containing 1,3-cyclo-5,10-seco-steroidal ketones. in Tetrahedron
Elsevier., 38(21), 3163-3168.
https://doi.org/10.1016/0040-4020(82)80053-7

Lorenc L, Dabović M, Juranić I, Mihailović ML, Snatzke G, Tóth G. Circular dichroism of some cyclopropane ring containing 1,3-cyclo-5,10-seco-steroidal ketones. in Tetrahedron. 1982;38(21):3163-3168.
doi:10.1016/0040-4020(82)80053-7 .

Lorenc, Ljubinka, Dabović, Milan, Juranić, Ivan, Mihailović, Milhailo Lj., Snatzke, G, Tóth, G, "Circular dichroism of some cyclopropane ring containing 1,3-cyclo-5,10-seco-steroidal ketones" in Tetrahedron, 38, no. 21 (1982):3163-3168,
https://doi.org/10.1016/0040-4020(82)80053-7 . .