TY  - JOUR
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Zlatar, Matija
AU  - Vlahović, Filip
AU  - Jovanović, Dušan M.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3579
AB  - A series of arylazo pyridone dyes was synthesized by changing the type of the substituent group in the diazo moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The structural and electronic properties of the investigated dyes was calculated at the M062X/6-31 + G(d,p) level of theory. The observed good linear correlations between atomic charges and Hammett sigma(p) constants provided a basis to discuss the transmission of electronic substituent effects through a dye framework. The reactivity of synthesized dyes was tested through their decolorization efficiency in TiO2 photocatalytic system (Degussa P-25). Quantitative structure activity relationship analysis revealed a strong correlation between reactivity of investigated dyes and Hammett substituent constants. The reaction was facilitated by electron-withdrawing groups, and retarded by electron-donating ones. Quantum mechanical calculations was used in order to describe the mechanism of the photocatalytic oxidation reactions of investigated dyes and interpret their reactivities within the framework of the Density Functional Theory (DFT). According to DFT based reactivity descriptors, i.e. Fukui functions and local softness, the active site moves from azo nitrogen atom linked to benzene ring to pyridone carbon atom linked to azo bond, going from dyes with electron-donating groups to dyes with electron-withdrawing groups.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Hazardous Materials
T1  - Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study
VL  - 316
SP  - 26
EP  - 33
DO  - 10.1016/j.jhazmat.2016.05.015
ER  - 

@article{
author = "Dostanić, Jasmina and Lončarević, Davor and Zlatar, Matija and Vlahović, Filip and Jovanović, Dušan M.",
year = "2016",
abstract = "A series of arylazo pyridone dyes was synthesized by changing the type of the substituent group in the diazo moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The structural and electronic properties of the investigated dyes was calculated at the M062X/6-31 + G(d,p) level of theory. The observed good linear correlations between atomic charges and Hammett sigma(p) constants provided a basis to discuss the transmission of electronic substituent effects through a dye framework. The reactivity of synthesized dyes was tested through their decolorization efficiency in TiO2 photocatalytic system (Degussa P-25). Quantitative structure activity relationship analysis revealed a strong correlation between reactivity of investigated dyes and Hammett substituent constants. The reaction was facilitated by electron-withdrawing groups, and retarded by electron-donating ones. Quantum mechanical calculations was used in order to describe the mechanism of the photocatalytic oxidation reactions of investigated dyes and interpret their reactivities within the framework of the Density Functional Theory (DFT). According to DFT based reactivity descriptors, i.e. Fukui functions and local softness, the active site moves from azo nitrogen atom linked to benzene ring to pyridone carbon atom linked to azo bond, going from dyes with electron-donating groups to dyes with electron-withdrawing groups.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Hazardous Materials",
title = "Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study",
volume = "316",
pages = "26-33",
doi = "10.1016/j.jhazmat.2016.05.015"
}

Dostanić, J., Lončarević, D., Zlatar, M., Vlahović, F.,& Jovanović, D. M.. (2016). Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study. in Journal of Hazardous Materials
Elsevier Science Bv, Amsterdam., 316, 26-33.
https://doi.org/10.1016/j.jhazmat.2016.05.015

Dostanić J, Lončarević D, Zlatar M, Vlahović F, Jovanović DM. Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study. in Journal of Hazardous Materials. 2016;316:26-33.
doi:10.1016/j.jhazmat.2016.05.015 .

Dostanić, Jasmina, Lončarević, Davor, Zlatar, Matija, Vlahović, Filip, Jovanović, Dušan M., "Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study" in Journal of Hazardous Materials, 316 (2016):26-33,
https://doi.org/10.1016/j.jhazmat.2016.05.015 . .

TY  - DATA
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Zlatar, Matija
AU  - Vlahović, Filip
AU  - Jovanović, Dušan M.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3584
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Hazardous Materials
T1  - Supplementary material for the article: Dostanić, J.; Lončarević, D.; Zlatar, M.; Vlahović, F.; Jovanović, D. M. Quantitative Structure-Activity Relationship Analysis of Substituted Arylazo Pyridone Dyes in Photocatalytic System: Experimental and Theoretical Study. J. Hazard. Mater. 2016, 316, 26–33. https://doi.org/10.1016/j.jhazmat.2016.05.015
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3584
ER  - 

@misc{
author = "Dostanić, Jasmina and Lončarević, Davor and Zlatar, Matija and Vlahović, Filip and Jovanović, Dušan M.",
year = "2016",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Hazardous Materials",
title = "Supplementary material for the article: Dostanić, J.; Lončarević, D.; Zlatar, M.; Vlahović, F.; Jovanović, D. M. Quantitative Structure-Activity Relationship Analysis of Substituted Arylazo Pyridone Dyes in Photocatalytic System: Experimental and Theoretical Study. J. Hazard. Mater. 2016, 316, 26–33. https://doi.org/10.1016/j.jhazmat.2016.05.015",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3584"
}

Dostanić, J., Lončarević, D., Zlatar, M., Vlahović, F.,& Jovanović, D. M.. (2016). Supplementary material for the article: Dostanić, J.; Lončarević, D.; Zlatar, M.; Vlahović, F.; Jovanović, D. M. Quantitative Structure-Activity Relationship Analysis of Substituted Arylazo Pyridone Dyes in Photocatalytic System: Experimental and Theoretical Study. J. Hazard. Mater. 2016, 316, 26–33. https://doi.org/10.1016/j.jhazmat.2016.05.015. in Journal of Hazardous Materials
Elsevier Science Bv, Amsterdam..
https://hdl.handle.net/21.15107/rcub_cherry_3584

Dostanić J, Lončarević D, Zlatar M, Vlahović F, Jovanović DM. Supplementary material for the article: Dostanić, J.; Lončarević, D.; Zlatar, M.; Vlahović, F.; Jovanović, D. M. Quantitative Structure-Activity Relationship Analysis of Substituted Arylazo Pyridone Dyes in Photocatalytic System: Experimental and Theoretical Study. J. Hazard. Mater. 2016, 316, 26–33. https://doi.org/10.1016/j.jhazmat.2016.05.015. in Journal of Hazardous Materials. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3584 .

Dostanić, Jasmina, Lončarević, Davor, Zlatar, Matija, Vlahović, Filip, Jovanović, Dušan M., "Supplementary material for the article: Dostanić, J.; Lončarević, D.; Zlatar, M.; Vlahović, F.; Jovanović, D. M. Quantitative Structure-Activity Relationship Analysis of Substituted Arylazo Pyridone Dyes in Photocatalytic System: Experimental and Theoretical Study. J. Hazard. Mater. 2016, 316, 26–33. https://doi.org/10.1016/j.jhazmat.2016.05.015" in Journal of Hazardous Materials (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3584 .

TY  - JOUR
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Zlatar, Matija
AU  - Vlahović, Filip
AU  - Jovanović, Dušan M.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2277
AB  - A series of arylazo pyridone dyes was synthesized by changing the type of the substituent group in the diazo moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The structural and electronic properties of the investigated dyes was calculated at the M062X/6-31 + G(d,p) level of theory. The observed good linear correlations between atomic charges and Hammett sigma(p) constants provided a basis to discuss the transmission of electronic substituent effects through a dye framework. The reactivity of synthesized dyes was tested through their decolorization efficiency in TiO2 photocatalytic system (Degussa P-25). Quantitative structure activity relationship analysis revealed a strong correlation between reactivity of investigated dyes and Hammett substituent constants. The reaction was facilitated by electron-withdrawing groups, and retarded by electron-donating ones. Quantum mechanical calculations was used in order to describe the mechanism of the photocatalytic oxidation reactions of investigated dyes and interpret their reactivities within the framework of the Density Functional Theory (DFT). According to DFT based reactivity descriptors, i.e. Fukui functions and local softness, the active site moves from azo nitrogen atom linked to benzene ring to pyridone carbon atom linked to azo bond, going from dyes with electron-donating groups to dyes with electron-withdrawing groups.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Hazardous Materials
T1  - Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study
VL  - 316
SP  - 26
EP  - 33
DO  - 10.1016/j.jhazmat.2016.05.015
ER  - 

@article{
author = "Dostanić, Jasmina and Lončarević, Davor and Zlatar, Matija and Vlahović, Filip and Jovanović, Dušan M.",
year = "2016",
abstract = "A series of arylazo pyridone dyes was synthesized by changing the type of the substituent group in the diazo moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The structural and electronic properties of the investigated dyes was calculated at the M062X/6-31 + G(d,p) level of theory. The observed good linear correlations between atomic charges and Hammett sigma(p) constants provided a basis to discuss the transmission of electronic substituent effects through a dye framework. The reactivity of synthesized dyes was tested through their decolorization efficiency in TiO2 photocatalytic system (Degussa P-25). Quantitative structure activity relationship analysis revealed a strong correlation between reactivity of investigated dyes and Hammett substituent constants. The reaction was facilitated by electron-withdrawing groups, and retarded by electron-donating ones. Quantum mechanical calculations was used in order to describe the mechanism of the photocatalytic oxidation reactions of investigated dyes and interpret their reactivities within the framework of the Density Functional Theory (DFT). According to DFT based reactivity descriptors, i.e. Fukui functions and local softness, the active site moves from azo nitrogen atom linked to benzene ring to pyridone carbon atom linked to azo bond, going from dyes with electron-donating groups to dyes with electron-withdrawing groups.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Hazardous Materials",
title = "Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study",
volume = "316",
pages = "26-33",
doi = "10.1016/j.jhazmat.2016.05.015"
}

Dostanić, J., Lončarević, D., Zlatar, M., Vlahović, F.,& Jovanović, D. M.. (2016). Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study. in Journal of Hazardous Materials
Elsevier Science Bv, Amsterdam., 316, 26-33.
https://doi.org/10.1016/j.jhazmat.2016.05.015

Dostanić J, Lončarević D, Zlatar M, Vlahović F, Jovanović DM. Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study. in Journal of Hazardous Materials. 2016;316:26-33.
doi:10.1016/j.jhazmat.2016.05.015 .

Dostanić, Jasmina, Lončarević, Davor, Zlatar, Matija, Vlahović, Filip, Jovanović, Dušan M., "Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study" in Journal of Hazardous Materials, 316 (2016):26-33,
https://doi.org/10.1016/j.jhazmat.2016.05.015 . .

TY  - JOUR
AU  - Jovic-Jovicic, N. P.
AU  - Milutinović-Nikolić, Aleksandra D.
AU  - Zunic, M. J.
AU  - Mojović, Zorica D.
AU  - Bankovic, P. T.
AU  - Gržetić, Ivan
AU  - Jovanović, Dušan M.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1362
AB  - Two series of organobentonites (OBs) were synthesized from Na+-exchanged bentonite clay from Bogovina, Serbia. In the first series the starting material was modified using hexadecyltrimethylammonium (HDTMA(+)) ion in the amounts corresponding to 0.2, 0.5, 1.0 and 2.0 of the CEC value. The second series was obtained using quaternary alkyl ammonium cations (QAACs) with different alkyl chain lengths: hexadecyltrimethylammonium (HDTMA(+)), dodecyltrimethylammonium (DDTMA(+)) and tetramethylammonium (TMA(+)) ions. The synthesized OBs were characterized. The adsorption of anionic reactive dye Reactive Black 5 (RB5) and Pb2+ from single component solutions and their hi-component solution was investigated for both series of OBs. The adsorptive properties of the OBs were correlated to the amount and type of incorporated QAACs. The correlation was tested using different mathematical models and best fits were found. Experimental results showed that simultaneous adsorption of RB5 and Pb2+ exhibited synergic effect. The adsorption capacity for both RB5 and Pb2+ was higher in their hi-component solution than in single-component solutions. These results indicate the creation of new adsorption sites during the simultaneous adsorption.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Contaminant Hydrology
T1  - Synergic adsorption of Pb2+ and reactive dye-RB5 on two series of organomodified bentonites
VL  - 150
SP  - 1
EP  - 11
DO  - 10.1016/j.jconhyd.2013.03.004
ER  - 

@article{
author = "Jovic-Jovicic, N. P. and Milutinović-Nikolić, Aleksandra D. and Zunic, M. J. and Mojović, Zorica D. and Bankovic, P. T. and Gržetić, Ivan and Jovanović, Dušan M.",
year = "2013",
abstract = "Two series of organobentonites (OBs) were synthesized from Na+-exchanged bentonite clay from Bogovina, Serbia. In the first series the starting material was modified using hexadecyltrimethylammonium (HDTMA(+)) ion in the amounts corresponding to 0.2, 0.5, 1.0 and 2.0 of the CEC value. The second series was obtained using quaternary alkyl ammonium cations (QAACs) with different alkyl chain lengths: hexadecyltrimethylammonium (HDTMA(+)), dodecyltrimethylammonium (DDTMA(+)) and tetramethylammonium (TMA(+)) ions. The synthesized OBs were characterized. The adsorption of anionic reactive dye Reactive Black 5 (RB5) and Pb2+ from single component solutions and their hi-component solution was investigated for both series of OBs. The adsorptive properties of the OBs were correlated to the amount and type of incorporated QAACs. The correlation was tested using different mathematical models and best fits were found. Experimental results showed that simultaneous adsorption of RB5 and Pb2+ exhibited synergic effect. The adsorption capacity for both RB5 and Pb2+ was higher in their hi-component solution than in single-component solutions. These results indicate the creation of new adsorption sites during the simultaneous adsorption.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Contaminant Hydrology",
title = "Synergic adsorption of Pb2+ and reactive dye-RB5 on two series of organomodified bentonites",
volume = "150",
pages = "1-11",
doi = "10.1016/j.jconhyd.2013.03.004"
}

Jovic-Jovicic, N. P., Milutinović-Nikolić, A. D., Zunic, M. J., Mojović, Z. D., Bankovic, P. T., Gržetić, I.,& Jovanović, D. M.. (2013). Synergic adsorption of Pb2+ and reactive dye-RB5 on two series of organomodified bentonites. in Journal of Contaminant Hydrology
Elsevier Science Bv, Amsterdam., 150, 1-11.
https://doi.org/10.1016/j.jconhyd.2013.03.004

Jovic-Jovicic NP, Milutinović-Nikolić AD, Zunic MJ, Mojović ZD, Bankovic PT, Gržetić I, Jovanović DM. Synergic adsorption of Pb2+ and reactive dye-RB5 on two series of organomodified bentonites. in Journal of Contaminant Hydrology. 2013;150:1-11.
doi:10.1016/j.jconhyd.2013.03.004 .

Jovic-Jovicic, N. P., Milutinović-Nikolić, Aleksandra D., Zunic, M. J., Mojović, Zorica D., Bankovic, P. T., Gržetić, Ivan, Jovanović, Dušan M., "Synergic adsorption of Pb2+ and reactive dye-RB5 on two series of organomodified bentonites" in Journal of Contaminant Hydrology, 150 (2013):1-11,
https://doi.org/10.1016/j.jconhyd.2013.03.004 . .