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  - Đorđević, Nenad
AU  - Marinković, Aleksandar D.
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saša Z.
AU  - Rančić, Milica
AU  - Brković, Danijela V.
AU  - Uskoković, Petar S.
PY  - 2016
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/728
AB  - The morphological, thermal and barrier properties of low-density polyethylene/polycaprolactone-modified nanocellulose hybrid materials were investigated in this study. Nanocellulose/magnetite (NC-Fe3O4) nanocomposite and maleic acid functionalized NC/magnetite (NCMA-Fe3O4) nanocomposite were prepared and used as fillers at various concentrations (5, 10 and 15 wt. %) in the polycaprolactone (PCL) layer. PE was coated with a PCL/NC//magnetite layer. The addition of the filler did not unfavorably affect the inherent properties of the polymer, especially its barrier properties. Oxygen permeation measurements showed that the oxygen barrier properties of magnetite enriched PCL film were improved due to the chemical activity of the added material. The highest level of the barrier capacity was observed for PE samples coated with a PCL-based composite with NCMA-Fe3O4 micro/nanofiller, which implies a significant contribution of the surface modification of the nanocellulose with maleic anhydride residue to the improved barrier properties.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film
EP  - 605
IS  - 5
SP  - 589
VL  - 81
DO  - 10.2298/JSC151217019D
UR  - conv_1217
ER  - 

@article{
author = "Đorđević, Nenad and Marinković, Aleksandar D. and Nikolić, Jasmina B. and Drmanić, Saša Z. and Rančić, Milica and Brković, Danijela V. and Uskoković, Petar S.",
year = "2016",
abstract = "The morphological, thermal and barrier properties of low-density polyethylene/polycaprolactone-modified nanocellulose hybrid materials were investigated in this study. Nanocellulose/magnetite (NC-Fe3O4) nanocomposite and maleic acid functionalized NC/magnetite (NCMA-Fe3O4) nanocomposite were prepared and used as fillers at various concentrations (5, 10 and 15 wt. %) in the polycaprolactone (PCL) layer. PE was coated with a PCL/NC//magnetite layer. The addition of the filler did not unfavorably affect the inherent properties of the polymer, especially its barrier properties. Oxygen permeation measurements showed that the oxygen barrier properties of magnetite enriched PCL film were improved due to the chemical activity of the added material. The highest level of the barrier capacity was observed for PE samples coated with a PCL-based composite with NCMA-Fe3O4 micro/nanofiller, which implies a significant contribution of the surface modification of the nanocellulose with maleic anhydride residue to the improved barrier properties.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film",
pages = "605-589",
number = "5",
volume = "81",
doi = "10.2298/JSC151217019D",
url = "conv_1217"
}

Đorđević, N., Marinković, A. D., Nikolić, J. B., Drmanić, S. Z., Rančić, M., Brković, D. V.,& Uskoković, P. S.. (2016). A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 81(5), 589-605.
https://doi.org/10.2298/JSC151217019D
conv_1217

Đorđević N, Marinković AD, Nikolić JB, Drmanić SZ, Rančić M, Brković DV, Uskoković PS. A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film. in Journal of the Serbian Chemical Society. 2016;81(5):589-605.
doi:10.2298/JSC151217019D
conv_1217 .

Đorđević, Nenad, Marinković, Aleksandar D., Nikolić, Jasmina B., Drmanić, Saša Z., Rančić, Milica, Brković, Danijela V., Uskoković, Petar S., "A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film" in Journal of the Serbian Chemical Society, 81, no. 5 (2016):589-605,
https://doi.org/10.2298/JSC151217019D .,
conv_1217 .