TY  - JOUR
AU  - Taleb, Khaled
AU  - Markovski, Jasmina
AU  - Velicković, Zlate
AU  - Rusmirović, Jelena D.
AU  - Rančić, Milica
AU  - Pavlović, Vladimir
AU  - Marinković, Aleksandar
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1078
AB  - Comparative adsorption study related to benefits of parent media size, i.e. microfibrillated cellulose (MC) versus nanocellulose (NC) support, for the preparation of magnetite (MG) based high performance adsorbent for arsenic removal was conducted. Precipitation of MG on amino terminal branched organic structure, L, either linked by maleic acid residue on NC surface (NC-MA/L) or linked by oxalyl bridge on MC surface (MC-O/L) produced NC-MA/L-MG and MC-O/L-MG adsorbents, respectively. Precipitation of nanosized MG on amino functionalized NC-MA/L and MC-O/L, performed according to optimized procedure, contributed to improved textural properties and adsorptive/kinetic performances of novel adsorbents. Adsorption capacity of arsenate, As(V), was in favor of NC-MA/L-MG (85.3 versus 18.5 mg g(-1)) while MC-O/L-MG exhibited faster kinetics (0.541 versus 0.189 g mg(-1) min(-1)). Lower capacity of arsenite, As(III), removal, 68.3 mg g(-1) for NC-MA/L-MG and 17.8 mg g(-1) for MC-O/L-MG, were obtained. Calculated activation energies, 13.28 and 10.87 kJ mol(-1) for NC-MA/L-MG and MC-O/L-MG with respect to As(V), respectively, suggest, in accordance with results of Weber-Morris fitting, that internal mass transfer controls adsorption process. Model free adsorption kinetics confirmed beneficial uses of MC-O/L-MG due to low activation energy dependence on the extent of adsorption.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Arsenic removal by magnetite-loaded amino modified nano/microcellulose adsorbents: Effect of functionalization and media size
EP  - 4693
IS  - 8
SP  - 4675
VL  - 12
UR  - conv_2395
ER  - 

@article{
author = "Taleb, Khaled and Markovski, Jasmina and Velicković, Zlate and Rusmirović, Jelena D. and Rančić, Milica and Pavlović, Vladimir and Marinković, Aleksandar",
year = "2019",
abstract = "Comparative adsorption study related to benefits of parent media size, i.e. microfibrillated cellulose (MC) versus nanocellulose (NC) support, for the preparation of magnetite (MG) based high performance adsorbent for arsenic removal was conducted. Precipitation of MG on amino terminal branched organic structure, L, either linked by maleic acid residue on NC surface (NC-MA/L) or linked by oxalyl bridge on MC surface (MC-O/L) produced NC-MA/L-MG and MC-O/L-MG adsorbents, respectively. Precipitation of nanosized MG on amino functionalized NC-MA/L and MC-O/L, performed according to optimized procedure, contributed to improved textural properties and adsorptive/kinetic performances of novel adsorbents. Adsorption capacity of arsenate, As(V), was in favor of NC-MA/L-MG (85.3 versus 18.5 mg g(-1)) while MC-O/L-MG exhibited faster kinetics (0.541 versus 0.189 g mg(-1) min(-1)). Lower capacity of arsenite, As(III), removal, 68.3 mg g(-1) for NC-MA/L-MG and 17.8 mg g(-1) for MC-O/L-MG, were obtained. Calculated activation energies, 13.28 and 10.87 kJ mol(-1) for NC-MA/L-MG and MC-O/L-MG with respect to As(V), respectively, suggest, in accordance with results of Weber-Morris fitting, that internal mass transfer controls adsorption process. Model free adsorption kinetics confirmed beneficial uses of MC-O/L-MG due to low activation energy dependence on the extent of adsorption.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Arsenic removal by magnetite-loaded amino modified nano/microcellulose adsorbents: Effect of functionalization and media size",
pages = "4693-4675",
number = "8",
volume = "12",
url = "conv_2395"
}

Taleb, K., Markovski, J., Velicković, Z., Rusmirović, J. D., Rančić, M., Pavlović, V.,& Marinković, A.. (2019). Arsenic removal by magnetite-loaded amino modified nano/microcellulose adsorbents: Effect of functionalization and media size. in Arabian Journal of Chemistry
Elsevier., 12(8), 4675-4693.
conv_2395

Taleb K, Markovski J, Velicković Z, Rusmirović JD, Rančić M, Pavlović V, Marinković A. Arsenic removal by magnetite-loaded amino modified nano/microcellulose adsorbents: Effect of functionalization and media size. in Arabian Journal of Chemistry. 2019;12(8):4675-4693.
conv_2395 .

Taleb, Khaled, Markovski, Jasmina, Velicković, Zlate, Rusmirović, Jelena D., Rančić, Milica, Pavlović, Vladimir, Marinković, Aleksandar, "Arsenic removal by magnetite-loaded amino modified nano/microcellulose adsorbents: Effect of functionalization and media size" in Arabian Journal of Chemistry, 12, no. 8 (2019):4675-4693,
conv_2395 .

TY  - JOUR
AU  - Ajaj, Ismail
AU  - Assaleh, Fathi H.
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Brković, Danijela
AU  - Milcić, Miloš
AU  - Marinković, Aleksandar D.
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1020
AB  - The state of the tautomeric equilibria of eleven arylazo pyridone dyes was evaluated from UV-Vis absorption spectra with the aid of the quantum mechanical modeling. NMR analysis and theoretical calculations, by using PCM/omega B97X-D/6-311G(d,p) method, confirmed that prepared compounds exist mainly in Hydrazo form. Internal hydrogen bonding in Hydrazo tautomer, analyzed by AIM topological analysis and total electron density at the bond critical point (BCP), confirmed a presence of strong hydrogen bond which contributes to higher stability of Hydrazo form. Linear solvation energy relationships (LSERs) rationalized solvent influence on solvatochromism of all compounds in Hydrazo form and K-T by using Kamlet-Taft model. Linear free energy relationships (LFERs) were applied to the substituent-inducedNMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Density plots over the highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO) energy surface provide information on the charge transfer during excitation. The molecular electrostatic potential (MEP) surface map was plotted over the optimized geometry of the molecules in order to visualize electron density distribution and explain origin of solvent/solute interactions.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study
EP  - 3478
IS  - 8
SP  - 3463
VL  - 12
UR  - conv_2390
ER  - 

@article{
author = "Ajaj, Ismail and Assaleh, Fathi H. and Markovski, Jasmina and Rančić, Milica and Brković, Danijela and Milcić, Miloš and Marinković, Aleksandar D.",
year = "2019",
abstract = "The state of the tautomeric equilibria of eleven arylazo pyridone dyes was evaluated from UV-Vis absorption spectra with the aid of the quantum mechanical modeling. NMR analysis and theoretical calculations, by using PCM/omega B97X-D/6-311G(d,p) method, confirmed that prepared compounds exist mainly in Hydrazo form. Internal hydrogen bonding in Hydrazo tautomer, analyzed by AIM topological analysis and total electron density at the bond critical point (BCP), confirmed a presence of strong hydrogen bond which contributes to higher stability of Hydrazo form. Linear solvation energy relationships (LSERs) rationalized solvent influence on solvatochromism of all compounds in Hydrazo form and K-T by using Kamlet-Taft model. Linear free energy relationships (LFERs) were applied to the substituent-inducedNMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Density plots over the highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO) energy surface provide information on the charge transfer during excitation. The molecular electrostatic potential (MEP) surface map was plotted over the optimized geometry of the molecules in order to visualize electron density distribution and explain origin of solvent/solute interactions.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study",
pages = "3478-3463",
number = "8",
volume = "12",
url = "conv_2390"
}

Ajaj, I., Assaleh, F. H., Markovski, J., Rančić, M., Brković, D., Milcić, M.,& Marinković, A. D.. (2019). Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study. in Arabian Journal of Chemistry
Elsevier., 12(8), 3463-3478.
conv_2390

Ajaj I, Assaleh FH, Markovski J, Rančić M, Brković D, Milcić M, Marinković AD. Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study. in Arabian Journal of Chemistry. 2019;12(8):3463-3478.
conv_2390 .

Ajaj, Ismail, Assaleh, Fathi H., Markovski, Jasmina, Rančić, Milica, Brković, Danijela, Milcić, Miloš, Marinković, Aleksandar D., "Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study" in Arabian Journal of Chemistry, 12, no. 8 (2019):3463-3478,
conv_2390 .

TY  - JOUR
AU  - Ajaj, Ismail
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Mijin, Dusan
AU  - Milcić, Miloš
AU  - Jovanović, Maja
AU  - Marinković, Aleksandar
PY  - 2015
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/651
AB  - The state of the tautomeric equilibria of 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles, 2-PY/6-PY, was evaluated using experimental and theoretical methodology. The experimental data were interpreted with the aid of time-dependent density functional (TD-DFT) method. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. Linear solvation energy relationships (LSER) rationalized solvent influence on tautomeric equilibrium. Linear free energy relationships (LFERs) were applied to the substituent-induced NMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Theoretical calculations and obtained correlations gave insight into the influence of molecular conformation on the transmission of substituent electronic effects, as well as on different solvent solute interactions, and the state of tautomeric equilibrium.
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study
EP  - 585
SP  - 575
VL  - 150
DO  - 10.1016/j.saa.2015.05.055
UR  - conv_1172
ER  - 

@article{
author = "Ajaj, Ismail and Markovski, Jasmina and Rančić, Milica and Mijin, Dusan and Milcić, Miloš and Jovanović, Maja and Marinković, Aleksandar",
year = "2015",
abstract = "The state of the tautomeric equilibria of 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles, 2-PY/6-PY, was evaluated using experimental and theoretical methodology. The experimental data were interpreted with the aid of time-dependent density functional (TD-DFT) method. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. Linear solvation energy relationships (LSER) rationalized solvent influence on tautomeric equilibrium. Linear free energy relationships (LFERs) were applied to the substituent-induced NMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Theoretical calculations and obtained correlations gave insight into the influence of molecular conformation on the transmission of substituent electronic effects, as well as on different solvent solute interactions, and the state of tautomeric equilibrium.",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study",
pages = "585-575",
volume = "150",
doi = "10.1016/j.saa.2015.05.055",
url = "conv_1172"
}

Ajaj, I., Markovski, J., Rančić, M., Mijin, D., Milcić, M., Jovanović, M.,& Marinković, A.. (2015). Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 150, 575-585.
https://doi.org/10.1016/j.saa.2015.05.055
conv_1172

Ajaj I, Markovski J, Rančić M, Mijin D, Milcić M, Jovanović M, Marinković A. Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2015;150:575-585.
doi:10.1016/j.saa.2015.05.055
conv_1172 .

Ajaj, Ismail, Markovski, Jasmina, Rančić, Milica, Mijin, Dusan, Milcić, Miloš, Jovanović, Maja, Marinković, Aleksandar, "Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 150 (2015):575-585,
https://doi.org/10.1016/j.saa.2015.05.055 .,
conv_1172 .