TY  - JOUR
AU  - Mrdan, Gorana S.
AU  - Vastag, Gyongyi Gy.
AU  - Skorić, Dusan D.
AU  - Radanović, Mirjana M.
AU  - Verbić, Tatjana Z.
AU  - Milcić, Miloš K.
AU  - Stojiljković, Ivana
AU  - Marković, Olivera S.
AU  - Matijević, Borko M.
PY  - 2021
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1213
AB  - Derivatives of thiocarbohydrazone studied so far have shown great biological activity such as antioxidant, antimicrobial, and anticancer. Most of these compounds are bis-substituted derivatives, while monothiocarbohydrazones are much less investigated. Eighteen monothiocarbohydrazones were synthesized and subjected to physicochemical characterization in order to facilitate the examination of their potential biological activity and application in future studies. The structure of synthesized derivatives was confirmed with NMR and FT-IR spectroscopy, and with elemental analysis. For one of the compounds, single-crystal X-ray diffraction analysis was performed. Specific and non-specific molecular interactions were interpreted by LSER principles, using Catalan's model. For additional information about the dominance and influence of the interactions presented, correlations with Hansen's solubility parameters were calculated. Influence of the type and position of the substituent on absorption maxima was determined with LFER (linear free-energy relationship) principles, using Hammett's equation. Acidity constants of the synthesized compounds were theoretically calculated and experimentally determined. Moreover, the excitation of a molecule by a photon of UV-Vis light was interpreted by time-dependent density functional theory (TD-DFT) calculations of UV absorption bands, and intramolecular charge transfer (ICT) was quantified by calculations of the charge transfer distances (D-CT).
T2  - Structural Chemistry
T1  - Synthesis, physicochemical characterization, and TD-DFT calculations of monothiocarbohydrazone derivatives
EP  - 1245
IS  - 3
SP  - 1231
VL  - 32
DO  - 10.1007/s11224-020-01700-y
UR  - conv_1522
ER  - 

@article{
author = "Mrdan, Gorana S. and Vastag, Gyongyi Gy. and Skorić, Dusan D. and Radanović, Mirjana M. and Verbić, Tatjana Z. and Milcić, Miloš K. and Stojiljković, Ivana and Marković, Olivera S. and Matijević, Borko M.",
year = "2021",
abstract = "Derivatives of thiocarbohydrazone studied so far have shown great biological activity such as antioxidant, antimicrobial, and anticancer. Most of these compounds are bis-substituted derivatives, while monothiocarbohydrazones are much less investigated. Eighteen monothiocarbohydrazones were synthesized and subjected to physicochemical characterization in order to facilitate the examination of their potential biological activity and application in future studies. The structure of synthesized derivatives was confirmed with NMR and FT-IR spectroscopy, and with elemental analysis. For one of the compounds, single-crystal X-ray diffraction analysis was performed. Specific and non-specific molecular interactions were interpreted by LSER principles, using Catalan's model. For additional information about the dominance and influence of the interactions presented, correlations with Hansen's solubility parameters were calculated. Influence of the type and position of the substituent on absorption maxima was determined with LFER (linear free-energy relationship) principles, using Hammett's equation. Acidity constants of the synthesized compounds were theoretically calculated and experimentally determined. Moreover, the excitation of a molecule by a photon of UV-Vis light was interpreted by time-dependent density functional theory (TD-DFT) calculations of UV absorption bands, and intramolecular charge transfer (ICT) was quantified by calculations of the charge transfer distances (D-CT).",
journal = "Structural Chemistry",
title = "Synthesis, physicochemical characterization, and TD-DFT calculations of monothiocarbohydrazone derivatives",
pages = "1245-1231",
number = "3",
volume = "32",
doi = "10.1007/s11224-020-01700-y",
url = "conv_1522"
}

Mrdan, G. S., Vastag, G. Gy., Skorić, D. D., Radanović, M. M., Verbić, T. Z., Milcić, M. K., Stojiljković, I., Marković, O. S.,& Matijević, B. M.. (2021). Synthesis, physicochemical characterization, and TD-DFT calculations of monothiocarbohydrazone derivatives. in Structural Chemistry, 32(3), 1231-1245.
https://doi.org/10.1007/s11224-020-01700-y
conv_1522

Mrdan GS, Vastag GG, Skorić DD, Radanović MM, Verbić TZ, Milcić MK, Stojiljković I, Marković OS, Matijević BM. Synthesis, physicochemical characterization, and TD-DFT calculations of monothiocarbohydrazone derivatives. in Structural Chemistry. 2021;32(3):1231-1245.
doi:10.1007/s11224-020-01700-y
conv_1522 .

Mrdan, Gorana S., Vastag, Gyongyi Gy., Skorić, Dusan D., Radanović, Mirjana M., Verbić, Tatjana Z., Milcić, Miloš K., Stojiljković, Ivana, Marković, Olivera S., Matijević, Borko M., "Synthesis, physicochemical characterization, and TD-DFT calculations of monothiocarbohydrazone derivatives" in Structural Chemistry, 32, no. 3 (2021):1231-1245,
https://doi.org/10.1007/s11224-020-01700-y .,
conv_1522 .

TY  - JOUR
AU  - Perendija, Jovana
AU  - Velicković, Zlate
AU  - Drazević, Ljubinka
AU  - Stojiljković, Ivana
AU  - Milcić, Miloš
AU  - Milosavljević, Milutin M.
AU  - Marinković, Aleksandar D.
AU  - Pavlović, Vladimir
PY  - 2021
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1198
AB  - Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 and Cell-DTPA, respectively), and amino-modified diatomite was used for Azoxystrobin and Iprodione removal from water. Cell-MG membrane was structurally and morphologically characterized using FT-IR and FE-SEM techniques. The influences of operational parameters, i.e. pH, contact time, temperature, and the mass of adsorbent on adsorption and kinetics were studied in a batch system. The calculated capacities of 35.32 and 30.16 mg g(-1) for Azoxystrobin and Iprodione, respectively, were obtained from non-linear Langmuir model fitting. Weber-Morris model fitting indicates the main contribution of intra-particle diffusion to overall mass transport resistance. Thermodynamic data indicate spontaneous and endothermic adsorption. The reusability of adsorbent and results from wastewater purification showed that Cell-MG could be used as general-purpose adsorbent. The adsorbent/adsorbate surface interaction was considered from the results obtained using density functional theory (DFT) and calculation of molecular electrostatic potential (MEP). Thus, a better understanding of the relation between the adsorption performances and contribution of non-specific and specific interactions to adsorption performances and design of novel adsorbent with improved properties was deduced.
PB  - Međunarodni Institut za nauku o sinterovanju, Beograd
T2  - Science of Sintering
T1  - Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent
EP  - 378
IS  - 3
SP  - 355
VL  - 53
DO  - 10.2298/SOS2103355P
UR  - conv_1598
ER  - 

@article{
author = "Perendija, Jovana and Velicković, Zlate and Drazević, Ljubinka and Stojiljković, Ivana and Milcić, Miloš and Milosavljević, Milutin M. and Marinković, Aleksandar D. and Pavlović, Vladimir",
year = "2021",
abstract = "Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 and Cell-DTPA, respectively), and amino-modified diatomite was used for Azoxystrobin and Iprodione removal from water. Cell-MG membrane was structurally and morphologically characterized using FT-IR and FE-SEM techniques. The influences of operational parameters, i.e. pH, contact time, temperature, and the mass of adsorbent on adsorption and kinetics were studied in a batch system. The calculated capacities of 35.32 and 30.16 mg g(-1) for Azoxystrobin and Iprodione, respectively, were obtained from non-linear Langmuir model fitting. Weber-Morris model fitting indicates the main contribution of intra-particle diffusion to overall mass transport resistance. Thermodynamic data indicate spontaneous and endothermic adsorption. The reusability of adsorbent and results from wastewater purification showed that Cell-MG could be used as general-purpose adsorbent. The adsorbent/adsorbate surface interaction was considered from the results obtained using density functional theory (DFT) and calculation of molecular electrostatic potential (MEP). Thus, a better understanding of the relation between the adsorption performances and contribution of non-specific and specific interactions to adsorption performances and design of novel adsorbent with improved properties was deduced.",
publisher = "Međunarodni Institut za nauku o sinterovanju, Beograd",
journal = "Science of Sintering",
title = "Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent",
pages = "378-355",
number = "3",
volume = "53",
doi = "10.2298/SOS2103355P",
url = "conv_1598"
}

Perendija, J., Velicković, Z., Drazević, L., Stojiljković, I., Milcić, M., Milosavljević, M. M., Marinković, A. D.,& Pavlović, V.. (2021). Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent. in Science of Sintering
Međunarodni Institut za nauku o sinterovanju, Beograd., 53(3), 355-378.
https://doi.org/10.2298/SOS2103355P
conv_1598

Perendija J, Velicković Z, Drazević L, Stojiljković I, Milcić M, Milosavljević MM, Marinković AD, Pavlović V. Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent. in Science of Sintering. 2021;53(3):355-378.
doi:10.2298/SOS2103355P
conv_1598 .

Perendija, Jovana, Velicković, Zlate, Drazević, Ljubinka, Stojiljković, Ivana, Milcić, Miloš, Milosavljević, Milutin M., Marinković, Aleksandar D., Pavlović, Vladimir, "Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent" in Science of Sintering, 53, no. 3 (2021):355-378,
https://doi.org/10.2298/SOS2103355P .,
conv_1598 .

TY  - JOUR
AU  - Stojiljković, Ivana
AU  - Rančić, Milica
AU  - Marinković, Aleksandar D.
AU  - Cvijetić, Ilija N.
AU  - Milcić, Miloš K.
PY  - 2021
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1245
AB  - Electronic interactions in donor-pi-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push-pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and C-13 NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push-pull character of barbituric acid derivatives was performed by the (CNMR)-C-13 chemical shift differences, Mayer pi bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push-pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study
VL  - 253
DO  - 10.1016/j.saa.2021.119576
UR  - conv_1538
ER  - 

@article{
author = "Stojiljković, Ivana and Rančić, Milica and Marinković, Aleksandar D. and Cvijetić, Ilija N. and Milcić, Miloš K.",
year = "2021",
abstract = "Electronic interactions in donor-pi-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push-pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and C-13 NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push-pull character of barbituric acid derivatives was performed by the (CNMR)-C-13 chemical shift differences, Mayer pi bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push-pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study",
volume = "253",
doi = "10.1016/j.saa.2021.119576",
url = "conv_1538"
}

Stojiljković, I., Rančić, M., Marinković, A. D., Cvijetić, I. N.,& Milcić, M. K.. (2021). Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 253.
https://doi.org/10.1016/j.saa.2021.119576
conv_1538

Stojiljković I, Rančić M, Marinković AD, Cvijetić IN, Milcić MK. Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2021;253.
doi:10.1016/j.saa.2021.119576
conv_1538 .

Stojiljković, Ivana, Rančić, Milica, Marinković, Aleksandar D., Cvijetić, Ilija N., Milcić, Miloš K., "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 253 (2021),
https://doi.org/10.1016/j.saa.2021.119576 .,
conv_1538 .

TY  - JOUR
AU  - Mrdjan, Gorana S.
AU  - Matijević, Borko M.
AU  - Vastag, Gyongyi Gy
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar D.
AU  - Milcić, Miloš K.
AU  - Stojiljković, Ivana
PY  - 2020
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1135
AB  - Carbohydrazones are compounds that are increasingly studied due to their wide potential biological activity. Monocarbohydrazones (mCHs), as one of the carbohydrazone derivatives, so far have been poorly investigated. For a more detailed study, in this paper, eighteen compounds of monocarbohydrazones (eight known and ten newly synthesized derivatives) were synthesized and characterized using NMR and IR spectroscopy. As carbohydrazones show E/Z isomerization caused by the presence of the imino group, some of the synthesized mCHs are in the form of a mixture of these two isomers. The effects of specific and nonspecific solvent-solute interactions on the UV absorption maxima shifts were evaluated using linear free energy relationships principles, i.e., using Kamlet-Taft's and Catalan's models. For more information about interactions between dissolved substance and the surrounding medium, correlations have been made with Hansen's solubility parameters. The influence of the structure on the spectral behavior of the compounds tested was interpreted using Hammett's equation. Experimentally obtained physicochemical properties of mCHs were compared to and confirmed with computational methods that included TD-DFT calculations and MP2 geometry optimizations. Graphic abstract
T2  - Chemical Papers
T1  - Synthesis, solvent interactions and computational study of monocarbohydrazones
EP  - 2674
IS  - 8
SP  - 2653
VL  - 74
DO  - 10.1007/s11696-020-01106-4
UR  - conv_1481
ER  - 

@article{
author = "Mrdjan, Gorana S. and Matijević, Borko M. and Vastag, Gyongyi Gy and Božić, Aleksandra R. and Marinković, Aleksandar D. and Milcić, Miloš K. and Stojiljković, Ivana",
year = "2020",
abstract = "Carbohydrazones are compounds that are increasingly studied due to their wide potential biological activity. Monocarbohydrazones (mCHs), as one of the carbohydrazone derivatives, so far have been poorly investigated. For a more detailed study, in this paper, eighteen compounds of monocarbohydrazones (eight known and ten newly synthesized derivatives) were synthesized and characterized using NMR and IR spectroscopy. As carbohydrazones show E/Z isomerization caused by the presence of the imino group, some of the synthesized mCHs are in the form of a mixture of these two isomers. The effects of specific and nonspecific solvent-solute interactions on the UV absorption maxima shifts were evaluated using linear free energy relationships principles, i.e., using Kamlet-Taft's and Catalan's models. For more information about interactions between dissolved substance and the surrounding medium, correlations have been made with Hansen's solubility parameters. The influence of the structure on the spectral behavior of the compounds tested was interpreted using Hammett's equation. Experimentally obtained physicochemical properties of mCHs were compared to and confirmed with computational methods that included TD-DFT calculations and MP2 geometry optimizations. Graphic abstract",
journal = "Chemical Papers",
title = "Synthesis, solvent interactions and computational study of monocarbohydrazones",
pages = "2674-2653",
number = "8",
volume = "74",
doi = "10.1007/s11696-020-01106-4",
url = "conv_1481"
}

Mrdjan, G. S., Matijević, B. M., Vastag, G. G., Božić, A. R., Marinković, A. D., Milcić, M. K.,& Stojiljković, I.. (2020). Synthesis, solvent interactions and computational study of monocarbohydrazones. in Chemical Papers, 74(8), 2653-2674.
https://doi.org/10.1007/s11696-020-01106-4
conv_1481

Mrdjan GS, Matijević BM, Vastag GG, Božić AR, Marinković AD, Milcić MK, Stojiljković I. Synthesis, solvent interactions and computational study of monocarbohydrazones. in Chemical Papers. 2020;74(8):2653-2674.
doi:10.1007/s11696-020-01106-4
conv_1481 .

Mrdjan, Gorana S., Matijević, Borko M., Vastag, Gyongyi Gy, Božić, Aleksandra R., Marinković, Aleksandar D., Milcić, Miloš K., Stojiljković, Ivana, "Synthesis, solvent interactions and computational study of monocarbohydrazones" in Chemical Papers, 74, no. 8 (2020):2653-2674,
https://doi.org/10.1007/s11696-020-01106-4 .,
conv_1481 .

TY  - JOUR
AU  - Apostolov, Suzana
AU  - Vastag, Gyoengyi
AU  - Mrdjan, Gorana
AU  - Nakomcić, Jelena
AU  - Stojiljković, Ivana
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1084
AB  - Barbiturate derivatives were evaluated for their parameters of biological activity by applying linear regression and two multivariate methods (Cluster analysis and Principal component analysis). The lipophilicity of the studied barbiturates was determined on the modified carriers C18 in mixtures of water and four organic modifiers separately (methanol, n-propanol, acetone and tetrahydrofuran) by performing reversed phase thin layer chromatography and by applying relevant software packages. Chromatographic and computational lipophilicity of the examined barbiturates was correlated with the selected pharmacokinetic and toxicological predictors and good relationships were obtained. More concrete results were obtained by multivariate methods which showed that the polarity of the substituent has the greatest influence, and its electronic effects to a lesser extent on the tested parameters of the barbiturate derivatives. Results obtained by multivariate methods also suggest that the chromatographic retention constant, R-M(0), shows a greater resemblance to the parameters of lipophilicity. The chromatographic parameter m, exhibits better agreement with the toxicity parameters. [GRAPHICS] .
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Chromatographic descriptors in QSAR study of barbiturates
EP  - 203
IS  - 7-8
SP  - 194
VL  - 42
DO  - 10.1080/10826076.2019.1590207
UR  - conv_1422
ER  - 

@article{
author = "Apostolov, Suzana and Vastag, Gyoengyi and Mrdjan, Gorana and Nakomcić, Jelena and Stojiljković, Ivana",
year = "2019",
abstract = "Barbiturate derivatives were evaluated for their parameters of biological activity by applying linear regression and two multivariate methods (Cluster analysis and Principal component analysis). The lipophilicity of the studied barbiturates was determined on the modified carriers C18 in mixtures of water and four organic modifiers separately (methanol, n-propanol, acetone and tetrahydrofuran) by performing reversed phase thin layer chromatography and by applying relevant software packages. Chromatographic and computational lipophilicity of the examined barbiturates was correlated with the selected pharmacokinetic and toxicological predictors and good relationships were obtained. More concrete results were obtained by multivariate methods which showed that the polarity of the substituent has the greatest influence, and its electronic effects to a lesser extent on the tested parameters of the barbiturate derivatives. Results obtained by multivariate methods also suggest that the chromatographic retention constant, R-M(0), shows a greater resemblance to the parameters of lipophilicity. The chromatographic parameter m, exhibits better agreement with the toxicity parameters. [GRAPHICS] .",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Chromatographic descriptors in QSAR study of barbiturates",
pages = "203-194",
number = "7-8",
volume = "42",
doi = "10.1080/10826076.2019.1590207",
url = "conv_1422"
}

Apostolov, S., Vastag, G., Mrdjan, G., Nakomcić, J.,& Stojiljković, I.. (2019). Chromatographic descriptors in QSAR study of barbiturates. in Journal of Liquid Chromatography & Related Technologies, 42(7-8), 194-203.
https://doi.org/10.1080/10826076.2019.1590207
conv_1422

Apostolov S, Vastag G, Mrdjan G, Nakomcić J, Stojiljković I. Chromatographic descriptors in QSAR study of barbiturates. in Journal of Liquid Chromatography & Related Technologies. 2019;42(7-8):194-203.
doi:10.1080/10826076.2019.1590207
conv_1422 .

Apostolov, Suzana, Vastag, Gyoengyi, Mrdjan, Gorana, Nakomcić, Jelena, Stojiljković, Ivana, "Chromatographic descriptors in QSAR study of barbiturates" in Journal of Liquid Chromatography & Related Technologies, 42, no. 7-8 (2019):194-203,
https://doi.org/10.1080/10826076.2019.1590207 .,
conv_1422 .

TY  - JOUR
AU  - Rančić, Milica
AU  - Stojiljković, Ivana
AU  - Milošević, Milena
AU  - Prlainović, Nevena
AU  - Jovanović, Maja
AU  - Milcić, Miloš K.
AU  - Marinković, Aleksandar D.
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1002
AB  - The substituent and solvent effect on intramolecular charge transfer (ICT) in 5-aryli dene-3-methyl-2,4-thiazolidinediones (series 1) and 5-arylidene-3-phenyl-2,4-thiazolidinediones (series 2) was studied by using experimental and theoretical methodology. The effect of specific and non-specific solvent-solute interactions on the UV-vis absorption maxima shifts was evaluated by using the Kamlet-Taft and Catalan solvent parameter sets. Linear free energy relationships (LFERs) have been applied to the UV-vis and C-13 NMR data by using SSP (single substituent parameter) and DSP (dual substituent parameters). Comparative LFER analysis of 10 styrenic series was performed in order to distinguish contribution of structural and electronic substituent effect on extent of p-polarization in a side chain (vinyl) group. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. TD-DFT calculations are performed to quantify the efficiency of intramolecular charge transfer (ICT) allowing us to define the charge-transfer distance (DCT), amount of transferred charge (QCT), and difference of dipole moments between the ground and excited states (mu CT). It was found that both substituents and solvents influence electron density shift, i.e. extent of conjugation, and affect intramolecular charge transfer character in the course of excitation.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study
EP  - 5161
IS  - 8
SP  - 5142
VL  - 12
UR  - conv_2358
ER  - 

@article{
author = "Rančić, Milica and Stojiljković, Ivana and Milošević, Milena and Prlainović, Nevena and Jovanović, Maja and Milcić, Miloš K. and Marinković, Aleksandar D.",
year = "2019",
abstract = "The substituent and solvent effect on intramolecular charge transfer (ICT) in 5-aryli dene-3-methyl-2,4-thiazolidinediones (series 1) and 5-arylidene-3-phenyl-2,4-thiazolidinediones (series 2) was studied by using experimental and theoretical methodology. The effect of specific and non-specific solvent-solute interactions on the UV-vis absorption maxima shifts was evaluated by using the Kamlet-Taft and Catalan solvent parameter sets. Linear free energy relationships (LFERs) have been applied to the UV-vis and C-13 NMR data by using SSP (single substituent parameter) and DSP (dual substituent parameters). Comparative LFER analysis of 10 styrenic series was performed in order to distinguish contribution of structural and electronic substituent effect on extent of p-polarization in a side chain (vinyl) group. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. TD-DFT calculations are performed to quantify the efficiency of intramolecular charge transfer (ICT) allowing us to define the charge-transfer distance (DCT), amount of transferred charge (QCT), and difference of dipole moments between the ground and excited states (mu CT). It was found that both substituents and solvents influence electron density shift, i.e. extent of conjugation, and affect intramolecular charge transfer character in the course of excitation.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study",
pages = "5161-5142",
number = "8",
volume = "12",
url = "conv_2358"
}

Rančić, M., Stojiljković, I., Milošević, M., Prlainović, N., Jovanović, M., Milcić, M. K.,& Marinković, A. D.. (2019). Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study. in Arabian Journal of Chemistry
Elsevier., 12(8), 5142-5161.
conv_2358

Rančić M, Stojiljković I, Milošević M, Prlainović N, Jovanović M, Milcić MK, Marinković AD. Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study. in Arabian Journal of Chemistry. 2019;12(8):5142-5161.
conv_2358 .

Rančić, Milica, Stojiljković, Ivana, Milošević, Milena, Prlainović, Nevena, Jovanović, Maja, Milcić, Miloš K., Marinković, Aleksandar D., "Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study" in Arabian Journal of Chemistry, 12, no. 8 (2019):5142-5161,
conv_2358 .

TY  - JOUR
AU  - Prlainović, Nevena
AU  - Rančić, Milica
AU  - Stojiljković, Ivana
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saša Z.
AU  - Ajaj, Ismail
AU  - Marinković, Aleksandar D.
PY  - 2018
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/923
AB  - The substituent and solvent effects on solvatochromism in 3-[(4-substituted) phenylamino] isobenzofuran-1(3H)-ones were studied using experimental and theoretical methodologies. The effect of specific and non-specific solvent-solute interactions on the shifts of UV-Vis absorption maxima were evaluated using the Kamlet-Taft and Catalan solvent parameter sets. The experimental results were studied by density functional theory (DT) and time-dependent density functional theory (TD-DFT). The HOMO/LUMO energies (EHOMO/ELUMO) and energy gap (E-gap) values, as well as the mechanism of electronic excitations and the changes in the electron density distribution in both ground and excited states of the investigated molecules were studied by calculation in the gas phase. The electronic excitations were calculated by the TD-DFT method in the solvent methanol. It was found that both substituents and solvents influence the degree of p-electron conjugation of the synthesized molecules and affect the intramolecular charge transfer character.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones
EP  - 155
IS  - 2
SP  - 139
VL  - 83
DO  - 10.2298/JSC170408003P
UR  - conv_1333
ER  - 

@article{
author = "Prlainović, Nevena and Rančić, Milica and Stojiljković, Ivana and Nikolić, Jasmina B. and Drmanić, Saša Z. and Ajaj, Ismail and Marinković, Aleksandar D.",
year = "2018",
abstract = "The substituent and solvent effects on solvatochromism in 3-[(4-substituted) phenylamino] isobenzofuran-1(3H)-ones were studied using experimental and theoretical methodologies. The effect of specific and non-specific solvent-solute interactions on the shifts of UV-Vis absorption maxima were evaluated using the Kamlet-Taft and Catalan solvent parameter sets. The experimental results were studied by density functional theory (DT) and time-dependent density functional theory (TD-DFT). The HOMO/LUMO energies (EHOMO/ELUMO) and energy gap (E-gap) values, as well as the mechanism of electronic excitations and the changes in the electron density distribution in both ground and excited states of the investigated molecules were studied by calculation in the gas phase. The electronic excitations were calculated by the TD-DFT method in the solvent methanol. It was found that both substituents and solvents influence the degree of p-electron conjugation of the synthesized molecules and affect the intramolecular charge transfer character.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones",
pages = "155-139",
number = "2",
volume = "83",
doi = "10.2298/JSC170408003P",
url = "conv_1333"
}

Prlainović, N., Rančić, M., Stojiljković, I., Nikolić, J. B., Drmanić, S. Z., Ajaj, I.,& Marinković, A. D.. (2018). Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 83(2), 139-155.
https://doi.org/10.2298/JSC170408003P
conv_1333

Prlainović N, Rančić M, Stojiljković I, Nikolić JB, Drmanić SZ, Ajaj I, Marinković AD. Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones. in Journal of the Serbian Chemical Society. 2018;83(2):139-155.
doi:10.2298/JSC170408003P
conv_1333 .

Prlainović, Nevena, Rančić, Milica, Stojiljković, Ivana, Nikolić, Jasmina B., Drmanić, Saša Z., Ajaj, Ismail, Marinković, Aleksandar D., "Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones" in Journal of the Serbian Chemical Society, 83, no. 2 (2018):139-155,
https://doi.org/10.2298/JSC170408003P .,
conv_1333 .

TY  - JOUR
AU  - Drah, Abdusalam
AU  - Rusmirović, Jelena D.
AU  - Milošević, Milena
AU  - Kalifa, Mustafa
AU  - Stojiljković, Ivana
AU  - Rančić, Milica
AU  - Marinković, Aleksandar D.
PY  - 2016
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/774
AB  - Nezasićene poliestarske smole (UPe) su sintetisane iz anhidrida maleinske kiseline i proizvoda glikolize, dobijenih depolimerizacijom poli(etilen tereftalata) (PET-a) sa dipropilen-glikolom (DPG) u prisustvu tetrabutil-titanata kao katalizatora. Proizvod glikolize otpadnog PET-a i UPe smole su okarakterisani pomoću FTIR i NMR spektroskopije, elementalne analize, kiselinskog (AV), hidroksilnog (HV) i jodnog broja. Nanokompoziti, bazirani na nezasićenim poliestarskim smolama i nanočesticama silicijum-dioksida modifikovanim heksametildisilazanom, pripremljene su sa namerom da se prikaže jedna od značajnih komercijalnih primena UPe smola. U cilju određivanja mogućnosti mogućih implementacija razvijenih novih tehnologija proizvodnje UPe smola, urađena je neki tehno-ekonomska analiza. Ekonomska korist i profitabilnost procesa prikazane tehnologije su zasnovani na primeni reciklaže sirovog materijala, otpadnog PET-a, što predstavlja jedan od najefektivnijih načina da se očuvaju prirodni resursi, zaštiti životna sredina i uštedi novac. Principi zelene ekonomije su ugrađeni u razvijenoj tehnologiji proizvodnje UPe smola, što se odnosi i na zaštitu životne sredine i dostizanje profitabilnosti bez dodatnih negativnih uticaja na životnu sredinu, odnosno na smanjenje zagađenja bez negativnog uticaja na implementiranu tehnologiju.
AB  - Unsaturated polyester resins (UPe) were synthesized from maleic anhydride and products of glycolysis, obtained by polyethylene terephthalate (PET) depolymerization with dipropylene glycol (DPG) in the presence of tetrabutyl titanate catalyst. Waste PET glycolyzed product and UPes were characterized by FTIR and NMR spectroscopy, elemental analysis, acid value (AV), hydroxyl value (HV) and iodine value. Nanocomposites, based on unsaturated polyester resins and hexamethyldisilazane modified silica nanoparticles, were prepared with intention to show one of valuable applicative commercialization of UPe resin. In order to determine potential of the possible implementation of developed new technology for UPe production some aspect of techno- economic analysis was analyzed. Economic potential/benefit and process profitability of the presented technology was based on the use of recycled raw input materials, i.e. waste PET, which is one of the most effective ways to save natural resources, protect the environment, and save money. Principles of green economy was incorporated in the results of developed UPe production technology which is related to both environmental protection and profitability achievement with no additional negative impact to environment, i.e. pollution decrease without negative effect of implemented technology.
PB  - Inženjersko društvo za koroziju, Beograd
T2  - Zaštita materijala
T1  - Tehno-ekonomska analiza proizvodnje nezasićenih poliestara iz otpadnog PET-a
T1  - Techno-economic analysis of unsaturated polyester production from waste PET
EP  - 612
IS  - 4
SP  - 605
VL  - 57
DO  - 10.5937/ZasMat1604605D
UR  - conv_61
ER  - 

@article{
author = "Drah, Abdusalam and Rusmirović, Jelena D. and Milošević, Milena and Kalifa, Mustafa and Stojiljković, Ivana and Rančić, Milica and Marinković, Aleksandar D.",
year = "2016",
abstract = "Nezasićene poliestarske smole (UPe) su sintetisane iz anhidrida maleinske kiseline i proizvoda glikolize, dobijenih depolimerizacijom poli(etilen tereftalata) (PET-a) sa dipropilen-glikolom (DPG) u prisustvu tetrabutil-titanata kao katalizatora. Proizvod glikolize otpadnog PET-a i UPe smole su okarakterisani pomoću FTIR i NMR spektroskopije, elementalne analize, kiselinskog (AV), hidroksilnog (HV) i jodnog broja. Nanokompoziti, bazirani na nezasićenim poliestarskim smolama i nanočesticama silicijum-dioksida modifikovanim heksametildisilazanom, pripremljene su sa namerom da se prikaže jedna od značajnih komercijalnih primena UPe smola. U cilju određivanja mogućnosti mogućih implementacija razvijenih novih tehnologija proizvodnje UPe smola, urađena je neki tehno-ekonomska analiza. Ekonomska korist i profitabilnost procesa prikazane tehnologije su zasnovani na primeni reciklaže sirovog materijala, otpadnog PET-a, što predstavlja jedan od najefektivnijih načina da se očuvaju prirodni resursi, zaštiti životna sredina i uštedi novac. Principi zelene ekonomije su ugrađeni u razvijenoj tehnologiji proizvodnje UPe smola, što se odnosi i na zaštitu životne sredine i dostizanje profitabilnosti bez dodatnih negativnih uticaja na životnu sredinu, odnosno na smanjenje zagađenja bez negativnog uticaja na implementiranu tehnologiju., Unsaturated polyester resins (UPe) were synthesized from maleic anhydride and products of glycolysis, obtained by polyethylene terephthalate (PET) depolymerization with dipropylene glycol (DPG) in the presence of tetrabutyl titanate catalyst. Waste PET glycolyzed product and UPes were characterized by FTIR and NMR spectroscopy, elemental analysis, acid value (AV), hydroxyl value (HV) and iodine value. Nanocomposites, based on unsaturated polyester resins and hexamethyldisilazane modified silica nanoparticles, were prepared with intention to show one of valuable applicative commercialization of UPe resin. In order to determine potential of the possible implementation of developed new technology for UPe production some aspect of techno- economic analysis was analyzed. Economic potential/benefit and process profitability of the presented technology was based on the use of recycled raw input materials, i.e. waste PET, which is one of the most effective ways to save natural resources, protect the environment, and save money. Principles of green economy was incorporated in the results of developed UPe production technology which is related to both environmental protection and profitability achievement with no additional negative impact to environment, i.e. pollution decrease without negative effect of implemented technology.",
publisher = "Inženjersko društvo za koroziju, Beograd",
journal = "Zaštita materijala",
title = "Tehno-ekonomska analiza proizvodnje nezasićenih poliestara iz otpadnog PET-a, Techno-economic analysis of unsaturated polyester production from waste PET",
pages = "612-605",
number = "4",
volume = "57",
doi = "10.5937/ZasMat1604605D",
url = "conv_61"
}

Drah, A., Rusmirović, J. D., Milošević, M., Kalifa, M., Stojiljković, I., Rančić, M.,& Marinković, A. D.. (2016). Tehno-ekonomska analiza proizvodnje nezasićenih poliestara iz otpadnog PET-a. in Zaštita materijala
Inženjersko društvo za koroziju, Beograd., 57(4), 605-612.
https://doi.org/10.5937/ZasMat1604605D
conv_61

Drah A, Rusmirović JD, Milošević M, Kalifa M, Stojiljković I, Rančić M, Marinković AD. Tehno-ekonomska analiza proizvodnje nezasićenih poliestara iz otpadnog PET-a. in Zaštita materijala. 2016;57(4):605-612.
doi:10.5937/ZasMat1604605D
conv_61 .

Drah, Abdusalam, Rusmirović, Jelena D., Milošević, Milena, Kalifa, Mustafa, Stojiljković, Ivana, Rančić, Milica, Marinković, Aleksandar D., "Tehno-ekonomska analiza proizvodnje nezasićenih poliestara iz otpadnog PET-a" in Zaštita materijala, 57, no. 4 (2016):605-612,
https://doi.org/10.5937/ZasMat1604605D .,
conv_61 .

TY  - JOUR
AU  - Rusmirović, Jelena D.
AU  - Božić, Aleksandra R.
AU  - Stamenović, Marina
AU  - Spasojević, Pavle
AU  - Rančić, Milica
AU  - Stojiljković, Ivana
AU  - Marinković, Aleksandar D.
PY  - 2016
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/797
AB  - U ovom radu prikazana je sinteza alkidnih smola visokih performansi baziranih na otpadnim poli(etilentereftalat) (PET) glikolizatima. PET glikolizati su sintetisani katalitičkom depolimerizacijom sa trimetilolpropanom (TMP) i trimetiloletanom (TME) koji su korišćeni za zamenu polihidroksilne komponente u toku sinteze alkidnih smola. Dobijeni glikolizati i alkidne smole u velikom prinosu su okarakterisane FTIR i 1HNMR spektroskopijom, kiselinskim, jodnim i hidroksilnim brojem. Određena su reološka svojstva sintetisanih alkidnih smola kao što su debljina, athezija, tvrdoća i sjaj i sve sintetisane alkidne smole su pokazale veliku adeziju i tvrdoću i sjaj veći od 98%. Ispitivan je uticaj dodatka modifikovanih silika Aerosil® R380 nanočestica na mehaničke I antikorozivne karakteristike dobijenih nanokompozitnih premaza na bazi alkidnih smola.
AB  - Synthesis of high-performance alkyd resins (ARs) based on waste poly(ethylene terephthalate) (PET) glycolyzates is presented. PET glycolyzates were synthesized by catalytic depolymerization with trimethylolpropane (TMP) and trimethylolethane (TME) and used as replacement of polyhydroxylic component during the ARs synthesis. The obtained glycolyzates and produced ARs were analyzed using FTIR, 1H and 13C NMR spectroscopy and acid, iodine, and hydroxyl value were determined. Rheological properties of the synthesized ARs, as well as, thickness, adhesion, hardness and the gloss values were determined. All synthesized ARs show good adhesion and hardness and the gloss values are greater than 95%. The influence of the addition of vinyl modified nanosilica Aerosil® R380, functionalized with 3-(trimethoxysilyl)propyl methacrylate (TMSPM) and tris(2-methoxyethoxy)(vinyl)silane (TMEVS), on the mechanical and anticorrosive characteristics of the prepared nanocomposite coatings, based on ARs, was investigated.
PB  - Inženjersko društvo za koroziju, Beograd
T2  - Zaštita materijala
T1  - Alkid nanokompozitni premazi bazirani na otpadnim pet glikolizatima modifikovani nanočesticama silike
T1  - Alkyd nanocomposite coatings based on waste pet glicolyzates and modified silica nanoparticles
EP  - 54
IS  - 1
SP  - 47
VL  - 57
DO  - 10.5937/ZasMat1601047R
UR  - conv_60
ER  - 

@article{
author = "Rusmirović, Jelena D. and Božić, Aleksandra R. and Stamenović, Marina and Spasojević, Pavle and Rančić, Milica and Stojiljković, Ivana and Marinković, Aleksandar D.",
year = "2016",
abstract = "U ovom radu prikazana je sinteza alkidnih smola visokih performansi baziranih na otpadnim poli(etilentereftalat) (PET) glikolizatima. PET glikolizati su sintetisani katalitičkom depolimerizacijom sa trimetilolpropanom (TMP) i trimetiloletanom (TME) koji su korišćeni za zamenu polihidroksilne komponente u toku sinteze alkidnih smola. Dobijeni glikolizati i alkidne smole u velikom prinosu su okarakterisane FTIR i 1HNMR spektroskopijom, kiselinskim, jodnim i hidroksilnim brojem. Određena su reološka svojstva sintetisanih alkidnih smola kao što su debljina, athezija, tvrdoća i sjaj i sve sintetisane alkidne smole su pokazale veliku adeziju i tvrdoću i sjaj veći od 98%. Ispitivan je uticaj dodatka modifikovanih silika Aerosil® R380 nanočestica na mehaničke I antikorozivne karakteristike dobijenih nanokompozitnih premaza na bazi alkidnih smola., Synthesis of high-performance alkyd resins (ARs) based on waste poly(ethylene terephthalate) (PET) glycolyzates is presented. PET glycolyzates were synthesized by catalytic depolymerization with trimethylolpropane (TMP) and trimethylolethane (TME) and used as replacement of polyhydroxylic component during the ARs synthesis. The obtained glycolyzates and produced ARs were analyzed using FTIR, 1H and 13C NMR spectroscopy and acid, iodine, and hydroxyl value were determined. Rheological properties of the synthesized ARs, as well as, thickness, adhesion, hardness and the gloss values were determined. All synthesized ARs show good adhesion and hardness and the gloss values are greater than 95%. The influence of the addition of vinyl modified nanosilica Aerosil® R380, functionalized with 3-(trimethoxysilyl)propyl methacrylate (TMSPM) and tris(2-methoxyethoxy)(vinyl)silane (TMEVS), on the mechanical and anticorrosive characteristics of the prepared nanocomposite coatings, based on ARs, was investigated.",
publisher = "Inženjersko društvo za koroziju, Beograd",
journal = "Zaštita materijala",
title = "Alkid nanokompozitni premazi bazirani na otpadnim pet glikolizatima modifikovani nanočesticama silike, Alkyd nanocomposite coatings based on waste pet glicolyzates and modified silica nanoparticles",
pages = "54-47",
number = "1",
volume = "57",
doi = "10.5937/ZasMat1601047R",
url = "conv_60"
}

Rusmirović, J. D., Božić, A. R., Stamenović, M., Spasojević, P., Rančić, M., Stojiljković, I.,& Marinković, A. D.. (2016). Alkid nanokompozitni premazi bazirani na otpadnim pet glikolizatima modifikovani nanočesticama silike. in Zaštita materijala
Inženjersko društvo za koroziju, Beograd., 57(1), 47-54.
https://doi.org/10.5937/ZasMat1601047R
conv_60

Rusmirović JD, Božić AR, Stamenović M, Spasojević P, Rančić M, Stojiljković I, Marinković AD. Alkid nanokompozitni premazi bazirani na otpadnim pet glikolizatima modifikovani nanočesticama silike. in Zaštita materijala. 2016;57(1):47-54.
doi:10.5937/ZasMat1601047R
conv_60 .

Rusmirović, Jelena D., Božić, Aleksandra R., Stamenović, Marina, Spasojević, Pavle, Rančić, Milica, Stojiljković, Ivana, Marinković, Aleksandar D., "Alkid nanokompozitni premazi bazirani na otpadnim pet glikolizatima modifikovani nanočesticama silike" in Zaštita materijala, 57, no. 1 (2016):47-54,
https://doi.org/10.5937/ZasMat1601047R .,
conv_60 .

TY  - JOUR
AU  - Milosavljević, Milutin M.
AU  - Vukicević, Ivan M.
AU  - Serifi, Veis
AU  - Markovski, Jasmina S.
AU  - Stojiljković, Ivana
AU  - Mijin, Dusan Z.
AU  - Marinković, Aleksandar D.
PY  - 2015
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/666
AB  - The optimized methods for N-alkyl and N,N-dialkyl substituted thioureas synthesis starting from ammonium thiocyanates, waste water constituent from the production of tetramethylthiuram monosulfide (TMTS), and alkyl amine, are presented in this work., Thioureas synthesis was developed in two ways: Method I-reaction of the thiocyanate and alkylamine in the presence of hydrochloric acid; Method II-reaction of the thiocyanate with benzoyl chloride following by amine addition in the first step, and base hydrolysis in the second step. The structure of the synthesized compounds was confirmed by IR, H-1- and C-13-NMR and MS instrumental methods, and purity was determined by high-performance liquid chromatography method. It is shown that the proposed methods offer a high degree of conversion and purity of product, absence of by-products and technological applicability at industrial scale. Considering the importance of the tetramethylthiuram disulfide (TMTD) and TMTS as vulcanization accelerators as well as thiourea as the pharmacologically active compounds, it can be said that application of the optimized methods of thiourea synthesis will provide significant improvement in sustainable development and implementation of eco-friendly production technology. The described environmentally benign process of thioureas synthesis represents a suitable option to existing methods. thioureas, industrial level, thiocyanate.
PB  - Savez hemijskih inženjera, Beograd
T2  - Chemical Industry & Chemical Engineering Quarterly
T1  - Optimization of the synthesis of n -alkyl and n , n -dialkyl thioureas from waste water containing ammonium thiocyanate
EP  - 510
IS  - 4
SP  - 501
VL  - 21
DO  - 10.2298/CICEQ141221006M
UR  - conv_1198
ER  - 

@article{
author = "Milosavljević, Milutin M. and Vukicević, Ivan M. and Serifi, Veis and Markovski, Jasmina S. and Stojiljković, Ivana and Mijin, Dusan Z. and Marinković, Aleksandar D.",
year = "2015",
abstract = "The optimized methods for N-alkyl and N,N-dialkyl substituted thioureas synthesis starting from ammonium thiocyanates, waste water constituent from the production of tetramethylthiuram monosulfide (TMTS), and alkyl amine, are presented in this work., Thioureas synthesis was developed in two ways: Method I-reaction of the thiocyanate and alkylamine in the presence of hydrochloric acid; Method II-reaction of the thiocyanate with benzoyl chloride following by amine addition in the first step, and base hydrolysis in the second step. The structure of the synthesized compounds was confirmed by IR, H-1- and C-13-NMR and MS instrumental methods, and purity was determined by high-performance liquid chromatography method. It is shown that the proposed methods offer a high degree of conversion and purity of product, absence of by-products and technological applicability at industrial scale. Considering the importance of the tetramethylthiuram disulfide (TMTD) and TMTS as vulcanization accelerators as well as thiourea as the pharmacologically active compounds, it can be said that application of the optimized methods of thiourea synthesis will provide significant improvement in sustainable development and implementation of eco-friendly production technology. The described environmentally benign process of thioureas synthesis represents a suitable option to existing methods. thioureas, industrial level, thiocyanate.",
publisher = "Savez hemijskih inženjera, Beograd",
journal = "Chemical Industry & Chemical Engineering Quarterly",
title = "Optimization of the synthesis of n -alkyl and n , n -dialkyl thioureas from waste water containing ammonium thiocyanate",
pages = "510-501",
number = "4",
volume = "21",
doi = "10.2298/CICEQ141221006M",
url = "conv_1198"
}

Milosavljević, M. M., Vukicević, I. M., Serifi, V., Markovski, J. S., Stojiljković, I., Mijin, D. Z.,& Marinković, A. D.. (2015). Optimization of the synthesis of n -alkyl and n , n -dialkyl thioureas from waste water containing ammonium thiocyanate. in Chemical Industry & Chemical Engineering Quarterly
Savez hemijskih inženjera, Beograd., 21(4), 501-510.
https://doi.org/10.2298/CICEQ141221006M
conv_1198

Milosavljević MM, Vukicević IM, Serifi V, Markovski JS, Stojiljković I, Mijin DZ, Marinković AD. Optimization of the synthesis of n -alkyl and n , n -dialkyl thioureas from waste water containing ammonium thiocyanate. in Chemical Industry & Chemical Engineering Quarterly. 2015;21(4):501-510.
doi:10.2298/CICEQ141221006M
conv_1198 .

Milosavljević, Milutin M., Vukicević, Ivan M., Serifi, Veis, Markovski, Jasmina S., Stojiljković, Ivana, Mijin, Dusan Z., Marinković, Aleksandar D., "Optimization of the synthesis of n -alkyl and n , n -dialkyl thioureas from waste water containing ammonium thiocyanate" in Chemical Industry & Chemical Engineering Quarterly, 21, no. 4 (2015):501-510,
https://doi.org/10.2298/CICEQ141221006M .,
conv_1198 .