TY  - JOUR
AU  - Ivanovska, Aleksandra
AU  - Lađarević, Jelena
AU  - Pavun, Leposava
AU  - Dojčinović, Biljana P.
AU  - Cvijetić, Ilija
AU  - Mijin, Dušan
AU  - Kostić, Mirjana M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4744
AB  - The objective of this investigation was to obtain jute fabrics with enhanced sorption properties (by using simple and cost-effective alkali and oxidative modifications) and a long life cycle. The applied alkali modifications lead to hemicellulose removal and decreased the fibers’ crystallinity, both contributing to enhanced fibers’ sorption properties, i.e., water retention power and degree of fibers’ swelling up to 49 % and 70 %, respectively. A connection between cellulose polymorphs’ (cellulose I and cellulose II) contents (determined by XRD), fibers’ surface morphology (verified by FESEM), fabrics’ crimp, and capillarity of jute fabrics modified with 17.5 % NaOH was established. During the oxidative modifications, significant changes in jute fibers’ chemical composition and structure (i.e., lignin removal and more homogeneous middle lamellae) occurred which further resulted in enhanced jute fabrics’ water retention power and capillarity as well as fibers’ swelling up to 80 %, 75 %, and 54 %, compared to the raw jute, respectively. In order to move towards a circular economy and to ensure the recycling and re-use of recycled fabrics, the jute fabrics with enhanced sorption properties were evaluated as biosorbents for anthraquinone dye C. I. Acid Blue 111. The obtained results revealed that the jute fabrics’ maximum biosorption capacities for this dye ranged from 12.94 to 18.97 mg/g, while the equilibrium adsorption data were highly consistent with the Langmuir isotherm model. Moreover, based on the predicted dye pKa values, the fabric zeta potential, content of carboxyl and aldehyde groups as well as hydrogen bond intensity (determined by ATR-FTIR), a possible mechanism of the dye biosorption onto jute fabric waste was proposed.
PB  - Elsevier
T2  - Industrial Crops and Products
T1  - Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle
VL  - 171
SP  - 113913
DO  - 10.1016/j.indcrop.2021.113913
ER  - 

@article{
author = "Ivanovska, Aleksandra and Lađarević, Jelena and Pavun, Leposava and Dojčinović, Biljana P. and Cvijetić, Ilija and Mijin, Dušan and Kostić, Mirjana M.",
year = "2021",
abstract = "The objective of this investigation was to obtain jute fabrics with enhanced sorption properties (by using simple and cost-effective alkali and oxidative modifications) and a long life cycle. The applied alkali modifications lead to hemicellulose removal and decreased the fibers’ crystallinity, both contributing to enhanced fibers’ sorption properties, i.e., water retention power and degree of fibers’ swelling up to 49 % and 70 %, respectively. A connection between cellulose polymorphs’ (cellulose I and cellulose II) contents (determined by XRD), fibers’ surface morphology (verified by FESEM), fabrics’ crimp, and capillarity of jute fabrics modified with 17.5 % NaOH was established. During the oxidative modifications, significant changes in jute fibers’ chemical composition and structure (i.e., lignin removal and more homogeneous middle lamellae) occurred which further resulted in enhanced jute fabrics’ water retention power and capillarity as well as fibers’ swelling up to 80 %, 75 %, and 54 %, compared to the raw jute, respectively. In order to move towards a circular economy and to ensure the recycling and re-use of recycled fabrics, the jute fabrics with enhanced sorption properties were evaluated as biosorbents for anthraquinone dye C. I. Acid Blue 111. The obtained results revealed that the jute fabrics’ maximum biosorption capacities for this dye ranged from 12.94 to 18.97 mg/g, while the equilibrium adsorption data were highly consistent with the Langmuir isotherm model. Moreover, based on the predicted dye pKa values, the fabric zeta potential, content of carboxyl and aldehyde groups as well as hydrogen bond intensity (determined by ATR-FTIR), a possible mechanism of the dye biosorption onto jute fabric waste was proposed.",
publisher = "Elsevier",
journal = "Industrial Crops and Products",
title = "Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle",
volume = "171",
pages = "113913",
doi = "10.1016/j.indcrop.2021.113913"
}

Ivanovska, A., Lađarević, J., Pavun, L., Dojčinović, B. P., Cvijetić, I., Mijin, D.,& Kostić, M. M.. (2021). Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle. in Industrial Crops and Products
Elsevier., 171, 113913.
https://doi.org/10.1016/j.indcrop.2021.113913

Ivanovska A, Lađarević J, Pavun L, Dojčinović BP, Cvijetić I, Mijin D, Kostić MM. Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle. in Industrial Crops and Products. 2021;171:113913.
doi:10.1016/j.indcrop.2021.113913 .

Ivanovska, Aleksandra, Lađarević, Jelena, Pavun, Leposava, Dojčinović, Biljana P., Cvijetić, Ilija, Mijin, Dušan, Kostić, Mirjana M., "Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle" in Industrial Crops and Products, 171 (2021):113913,
https://doi.org/10.1016/j.indcrop.2021.113913 . .

TY  - DATA
AU  - Ivanovska, Aleksandra
AU  - Lađarević, Jelena
AU  - Pavun, Leposava
AU  - Dojčinović, Biljana P.
AU  - Cvijetić, Ilija
AU  - Mijin, Dušan
AU  - Kostić, Mirjana M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4745
PB  - Elsevier
T2  - Industrial Crops and Products
T1  - Supplementary data for the article: Ivanovska, A.; Lađarević, J.; Pavun, L.; Dojčinović, B.; Cvijetić, I.; Mijin, D.; Kostić, M. Obtaining Jute Fabrics with Enhanced Sorption Properties and “Closing the Loop” of Their Lifecycle. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4745
ER  - 

@misc{
author = "Ivanovska, Aleksandra and Lađarević, Jelena and Pavun, Leposava and Dojčinović, Biljana P. and Cvijetić, Ilija and Mijin, Dušan and Kostić, Mirjana M.",
year = "2021",
publisher = "Elsevier",
journal = "Industrial Crops and Products",
title = "Supplementary data for the article: Ivanovska, A.; Lađarević, J.; Pavun, L.; Dojčinović, B.; Cvijetić, I.; Mijin, D.; Kostić, M. Obtaining Jute Fabrics with Enhanced Sorption Properties and “Closing the Loop” of Their Lifecycle. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4745"
}

Ivanovska, A., Lađarević, J., Pavun, L., Dojčinović, B. P., Cvijetić, I., Mijin, D.,& Kostić, M. M.. (2021). Supplementary data for the article: Ivanovska, A.; Lađarević, J.; Pavun, L.; Dojčinović, B.; Cvijetić, I.; Mijin, D.; Kostić, M. Obtaining Jute Fabrics with Enhanced Sorption Properties and “Closing the Loop” of Their Lifecycle. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.. in Industrial Crops and Products
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4745

Ivanovska A, Lađarević J, Pavun L, Dojčinović BP, Cvijetić I, Mijin D, Kostić MM. Supplementary data for the article: Ivanovska, A.; Lađarević, J.; Pavun, L.; Dojčinović, B.; Cvijetić, I.; Mijin, D.; Kostić, M. Obtaining Jute Fabrics with Enhanced Sorption Properties and “Closing the Loop” of Their Lifecycle. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.. in Industrial Crops and Products. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4745 .

Ivanovska, Aleksandra, Lađarević, Jelena, Pavun, Leposava, Dojčinović, Biljana P., Cvijetić, Ilija, Mijin, Dušan, Kostić, Mirjana M., "Supplementary data for the article: Ivanovska, A.; Lađarević, J.; Pavun, L.; Dojčinović, B.; Cvijetić, I.; Mijin, D.; Kostić, M. Obtaining Jute Fabrics with Enhanced Sorption Properties and “Closing the Loop” of Their Lifecycle. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913." in Industrial Crops and Products (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4745 .

TY  - JOUR
AU  - Lović, Jelena
AU  - Lađarević, Jelena
AU  - Trišović, Nemanja
AU  - Andrić, Filip
AU  - Mladenović, Aleksandar
AU  - Mijin, Dušan
AU  - Vuković, Dragan
AU  - Petrović, Slobodan D.
AU  - Avramov Ivić, Milka
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4419
AB  - The electrochemical characterization of sertraline at gold electrode was examined by cyclic voltammetry measurements (CV) in pH 8.4 bicarbonate buffer. Then Au electrode was evaluated for the quantitative determination of sertraline using square wave voltammetry (SWV). To enhance the sensitivity during the drug determination, (2-hydroxypropyl)-β-cyclodextrin (HPβCD) and β-cyclodextrin (βCD) inclusion complexes were employed. Using the proposed SWV technique, the anodic current peak was linear within a concentration range of 0.1–0.5 µM with a limit of detection (LOD) of 2.0 × 10–8 M and a limit of quantification (LOQ) of 6.7 × 10–8 M. In the case of inclusion complex of the sertraline with HPβCD, a good linearity range of 0.1–0.9 µM was obtained with a LOD of 2.6 × 10–8 M and a LOQ of 8.8 × 10–8 M. The gold electrode revealed the same linearity range for inclusion complex of the sertraline with βCD with a LOD and a LOQ being 2.6 × 10–8 and 8.6 × 10–8 M, respectively. Comparing the regression equations, it can be concluded that the sensitivity in the presence of inclusion complex can be up to 5 times higher. The applicability of the developed method was confirmed by the analysis of this drug in pharmaceutical formulation and in human serum spiked with sertraline standard. The comparison to HPLC method was successfully performed.
PB  - Springer International Publishing
T2  - Monatshefte für Chemie - Chemical Monthly
T2  - Monatshefte für Chemie - Chemical MonthlyMonatsh Chem
T1  - Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution
VL  - 152
IS  - 2
SP  - 185
EP  - 192
DO  - 10.1007/s00706-021-02745-3
ER  - 

@article{
author = "Lović, Jelena and Lađarević, Jelena and Trišović, Nemanja and Andrić, Filip and Mladenović, Aleksandar and Mijin, Dušan and Vuković, Dragan and Petrović, Slobodan D. and Avramov Ivić, Milka",
year = "2021",
abstract = "The electrochemical characterization of sertraline at gold electrode was examined by cyclic voltammetry measurements (CV) in pH 8.4 bicarbonate buffer. Then Au electrode was evaluated for the quantitative determination of sertraline using square wave voltammetry (SWV). To enhance the sensitivity during the drug determination, (2-hydroxypropyl)-β-cyclodextrin (HPβCD) and β-cyclodextrin (βCD) inclusion complexes were employed. Using the proposed SWV technique, the anodic current peak was linear within a concentration range of 0.1–0.5 µM with a limit of detection (LOD) of 2.0 × 10–8 M and a limit of quantification (LOQ) of 6.7 × 10–8 M. In the case of inclusion complex of the sertraline with HPβCD, a good linearity range of 0.1–0.9 µM was obtained with a LOD of 2.6 × 10–8 M and a LOQ of 8.8 × 10–8 M. The gold electrode revealed the same linearity range for inclusion complex of the sertraline with βCD with a LOD and a LOQ being 2.6 × 10–8 and 8.6 × 10–8 M, respectively. Comparing the regression equations, it can be concluded that the sensitivity in the presence of inclusion complex can be up to 5 times higher. The applicability of the developed method was confirmed by the analysis of this drug in pharmaceutical formulation and in human serum spiked with sertraline standard. The comparison to HPLC method was successfully performed.",
publisher = "Springer International Publishing",
journal = "Monatshefte für Chemie - Chemical Monthly, Monatshefte für Chemie - Chemical MonthlyMonatsh Chem",
title = "Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution",
volume = "152",
number = "2",
pages = "185-192",
doi = "10.1007/s00706-021-02745-3"
}

Lović, J., Lađarević, J., Trišović, N., Andrić, F., Mladenović, A., Mijin, D., Vuković, D., Petrović, S. D.,& Avramov Ivić, M.. (2021). Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution. in Monatshefte für Chemie - Chemical Monthly
Springer International Publishing., 152(2), 185-192.
https://doi.org/10.1007/s00706-021-02745-3

Lović J, Lađarević J, Trišović N, Andrić F, Mladenović A, Mijin D, Vuković D, Petrović SD, Avramov Ivić M. Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution. in Monatshefte für Chemie - Chemical Monthly. 2021;152(2):185-192.
doi:10.1007/s00706-021-02745-3 .

Lović, Jelena, Lađarević, Jelena, Trišović, Nemanja, Andrić, Filip, Mladenović, Aleksandar, Mijin, Dušan, Vuković, Dragan, Petrović, Slobodan D., Avramov Ivić, Milka, "Electrochemical determination of sertraline in pharmaceutical formulation and serum using a gold electrode in a pH 8.4 bicarbonate solution" in Monatshefte für Chemie - Chemical Monthly, 152, no. 2 (2021):185-192,
https://doi.org/10.1007/s00706-021-02745-3 . .

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela V.
AU  - Marinković, Aleksandar
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3832
AB  - This study describes photolysis of 1 × 10–4 M methomyl solution in deionized water and in eleven organic solvents, both polar and nonpolar: methanol, ethanol, n-propanol, isopropanol, sec-butanol, tert-butanol, isobutanol, isopentanol, n-hexane, acetonitrile, and dichloromethane. Photolysis of methomyl at 254 nm was performed using Osram mercury lamp (6 × 8 W) by exposing to irradiation for five hours. All photolytic methomyl reactions were studied by UV/Vis spectroscopy within a wavelength range of 190−300 nm (Spectrum Mode), and at 233.4 nm (Quantitative Mode), while the rate of photodecomposition of methomyl was measured using UV spectroscopy and HPLC. In order to get better insight in the photolysis of methomyl, a liquid chromatography-mass spectrometry (LC–MSn) was used. The rate of methomyl photolysis was solvent-specific and the following reaction rate order was established: deionized water > tert-butanol > n-hexane > sec-butanol > ethanol > isopentanol > isobutanol > isopropanol > methanol > acetonitrile > dichloromethane > n-propanol. Both nonspecific and specific solvent-solute interactions contribute mutually to the differences in the obtained quantum yields. Results of quantum chemical calculations, using CBS-QB3 method, provided insights into the solvent effects on both ground and excited state. The LC/MSn analysis showed the formation of several photolytic products.
PB  - Elsevier
T2  - Journal of Photochemistry and Photobiology A: Chemistry
T1  - Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study
VL  - 391
SP  - e112366
DO  - 10.1016/j.jphotochem.2020.112366
ER  - 

@article{
author = "Tomašević, Anđelka and Mijin, Dušan and Radišić, Marina and Prlainović, Nevena and Cvijetić, Ilija and Kovačević, Danijela V. and Marinković, Aleksandar",
year = "2020",
abstract = "This study describes photolysis of 1 × 10–4 M methomyl solution in deionized water and in eleven organic solvents, both polar and nonpolar: methanol, ethanol, n-propanol, isopropanol, sec-butanol, tert-butanol, isobutanol, isopentanol, n-hexane, acetonitrile, and dichloromethane. Photolysis of methomyl at 254 nm was performed using Osram mercury lamp (6 × 8 W) by exposing to irradiation for five hours. All photolytic methomyl reactions were studied by UV/Vis spectroscopy within a wavelength range of 190−300 nm (Spectrum Mode), and at 233.4 nm (Quantitative Mode), while the rate of photodecomposition of methomyl was measured using UV spectroscopy and HPLC. In order to get better insight in the photolysis of methomyl, a liquid chromatography-mass spectrometry (LC–MSn) was used. The rate of methomyl photolysis was solvent-specific and the following reaction rate order was established: deionized water > tert-butanol > n-hexane > sec-butanol > ethanol > isopentanol > isobutanol > isopropanol > methanol > acetonitrile > dichloromethane > n-propanol. Both nonspecific and specific solvent-solute interactions contribute mutually to the differences in the obtained quantum yields. Results of quantum chemical calculations, using CBS-QB3 method, provided insights into the solvent effects on both ground and excited state. The LC/MSn analysis showed the formation of several photolytic products.",
publisher = "Elsevier",
journal = "Journal of Photochemistry and Photobiology A: Chemistry",
title = "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study",
volume = "391",
pages = "e112366",
doi = "10.1016/j.jphotochem.2020.112366"
}

Tomašević, A., Mijin, D., Radišić, M., Prlainović, N., Cvijetić, I., Kovačević, D. V.,& Marinković, A.. (2020). Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study. in Journal of Photochemistry and Photobiology A: Chemistry
Elsevier., 391, e112366.
https://doi.org/10.1016/j.jphotochem.2020.112366

Tomašević A, Mijin D, Radišić M, Prlainović N, Cvijetić I, Kovačević DV, Marinković A. Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study. in Journal of Photochemistry and Photobiology A: Chemistry. 2020;391:e112366.
doi:10.1016/j.jphotochem.2020.112366 .

Tomašević, Anđelka, Mijin, Dušan, Radišić, Marina, Prlainović, Nevena, Cvijetić, Ilija, Kovačević, Danijela V., Marinković, Aleksandar, "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study" in Journal of Photochemistry and Photobiology A: Chemistry, 391 (2020):e112366,
https://doi.org/10.1016/j.jphotochem.2020.112366 . .

TY  - DATA
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela V.
AU  - Marinković, Aleksandar
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3833
PB  - Elsevier
T2  - Journal of Photochemistry and Photobiology A: Chemistry
T1  - Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3833
ER  - 

@misc{
author = "Tomašević, Anđelka and Mijin, Dušan and Radišić, Marina and Prlainović, Nevena and Cvijetić, Ilija and Kovačević, Danijela V. and Marinković, Aleksandar",
year = "2020",
publisher = "Elsevier",
journal = "Journal of Photochemistry and Photobiology A: Chemistry",
title = "Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3833"
}

Tomašević, A., Mijin, D., Radišić, M., Prlainović, N., Cvijetić, I., Kovačević, D. V.,& Marinković, A.. (2020). Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366. in Journal of Photochemistry and Photobiology A: Chemistry
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_3833

Tomašević A, Mijin D, Radišić M, Prlainović N, Cvijetić I, Kovačević DV, Marinković A. Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366. in Journal of Photochemistry and Photobiology A: Chemistry. 2020;.
https://hdl.handle.net/21.15107/rcub_cherry_3833 .

Tomašević, Anđelka, Mijin, Dušan, Radišić, Marina, Prlainović, Nevena, Cvijetić, Ilija, Kovačević, Danijela V., Marinković, Aleksandar, "Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366" in Journal of Photochemistry and Photobiology A: Chemistry (2020),
https://hdl.handle.net/21.15107/rcub_cherry_3833 .

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Gašić, Slavica
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5202
AB  - Photocatalytic degradation of a model compound of the carbamate insecticide
carbofuran in water was studied using polychromatic light and ZnO and TiO2 catalysts.
The influence of operational parameters, such as reaction time and initial carbofuran
concentration, on photocatalytic degradation was studied. A pseudo-first-order kinetic
model was established and an almost complete removal of 88.4 mg L–1 of carbofuran
occurred within 2 h under optimized conditions. The reactions were examined by UV
spectroscopy and high performance liquid chromatography (HPLC). In addition,
the photocatalytic efficiencies of ZnO and TiO2 were compared under the same
reaction conditions.
PB  - Institut za pesticide i zaštitu životne sredine, Beograd i Društvo za zaštitu bilja Srbije, Beograd
T2  - Pesticidi i fitomedicina
T1  - Photocatalytic degradation of carbamate insecticides: effect of different parameters
VL  - 34
SP  - 193
EP  - 200
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5202
ER  - 

@article{
author = "Tomašević, Anđelka and Mijin, Dušan and Marinković, Aleksandar and Cvijetić, Ilija and Gašić, Slavica",
year = "2019",
abstract = "Photocatalytic degradation of a model compound of the carbamate insecticide
carbofuran in water was studied using polychromatic light and ZnO and TiO2 catalysts.
The influence of operational parameters, such as reaction time and initial carbofuran
concentration, on photocatalytic degradation was studied. A pseudo-first-order kinetic
model was established and an almost complete removal of 88.4 mg L–1 of carbofuran
occurred within 2 h under optimized conditions. The reactions were examined by UV
spectroscopy and high performance liquid chromatography (HPLC). In addition,
the photocatalytic efficiencies of ZnO and TiO2 were compared under the same
reaction conditions.",
publisher = "Institut za pesticide i zaštitu životne sredine, Beograd i Društvo za zaštitu bilja Srbije, Beograd",
journal = "Pesticidi i fitomedicina",
title = "Photocatalytic degradation of carbamate insecticides: effect of different parameters",
volume = "34",
pages = "193-200",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5202"
}

Tomašević, A., Mijin, D., Marinković, A., Cvijetić, I.,& Gašić, S.. (2019). Photocatalytic degradation of carbamate insecticides: effect of different parameters. in Pesticidi i fitomedicina
Institut za pesticide i zaštitu životne sredine, Beograd i Društvo za zaštitu bilja Srbije, Beograd., 34, 193-200.
https://hdl.handle.net/21.15107/rcub_cherry_5202

Tomašević A, Mijin D, Marinković A, Cvijetić I, Gašić S. Photocatalytic degradation of carbamate insecticides: effect of different parameters. in Pesticidi i fitomedicina. 2019;34:193-200.
https://hdl.handle.net/21.15107/rcub_cherry_5202 .

Tomašević, Anđelka, Mijin, Dušan, Marinković, Aleksandar, Cvijetić, Ilija, Gašić, Slavica, "Photocatalytic degradation of carbamate insecticides: effect of different parameters" in Pesticidi i fitomedicina, 34 (2019):193-200,
https://hdl.handle.net/21.15107/rcub_cherry_5202 .

TY  - DATA
AU  - Ajaj, Ismail A.
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Mijin, Dušan
AU  - Milčić, Miloš K.
AU  - Jovanović, Maja
AU  - Marinković, Aleksandar
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3421
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3421
ER  - 

@misc{
author = "Ajaj, Ismail A. and Markovski, Jasmina and Rančić, Milica and Mijin, Dušan and Milčić, Miloš K. and Jovanović, Maja and Marinković, Aleksandar",
year = "2015",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3421"
}

Ajaj, I. A., Markovski, J., Rančić, M., Mijin, D., Milčić, M. K., Jovanović, M.,& Marinković, A.. (2015). Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford..
https://hdl.handle.net/21.15107/rcub_cherry_3421

Ajaj IA, Markovski J, Rančić M, Mijin D, Milčić MK, Jovanović M, Marinković A. Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2015;.
https://hdl.handle.net/21.15107/rcub_cherry_3421 .

Ajaj, Ismail A., Markovski, Jasmina, Rančić, Milica, Mijin, Dušan, Milčić, Miloš K., Jovanović, Maja, Marinković, Aleksandar, "Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy (2015),
https://hdl.handle.net/21.15107/rcub_cherry_3421 .

TY  - JOUR
AU  - Ajaj, Ismail A.
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Mijin, Dušan
AU  - Milčić, Miloš K.
AU  - Jovanović, Maja
AU  - Marinković, Aleksandar
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1971
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.
PB  - Pergamon-Elsevier Science Ltd, Oxford
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
VL  - 150
SP  - 575
EP  - 585
DO  - 10.1016/j.saa.2015.05.055
ER  - 

@article{
author = "Ajaj, Ismail A. and Markovski, Jasmina and Rančić, Milica and Mijin, Dušan and Milčić, Miloš K. 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.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
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",
volume = "150",
pages = "575-585",
doi = "10.1016/j.saa.2015.05.055"
}

Ajaj, I. A., Markovski, J., Rančić, M., Mijin, D., Milčić, M. K., 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
Pergamon-Elsevier Science Ltd, Oxford., 150, 575-585.
https://doi.org/10.1016/j.saa.2015.05.055

Ajaj IA, Markovski J, Rančić M, Mijin D, Milčić MK, 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 .

Ajaj, Ismail A., Markovski, Jasmina, Rančić, Milica, Mijin, Dušan, Milčić, Miloš K., 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 . .

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Mijin, Dušan
AU  - Mirkovic, Jelena
AU  - Maslak, Veselin
AU  - Kappe, C. Oliver
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1824
AB  - A study of the synthesis of 4-(substituted phenyl)-6-phenyl-3-cyano-2-pyridones from ethyl 2-cyano-3-(substituted phenyl) acrylates and acetophenone is presented. The 2-pyridones were obtained using conventional as well as microwave synthesis under solvent and solvent-free conditions in domestic and laboratory microwave ovens. The structure of the obtained pyridones was confirmed by m.p., FT-IR, NMR and UV data.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - A microwave approach to the synthesis of certain 4-(substituted phenyl)-6-phenyl-3-cyano-2-pyridones
VL  - 79
IS  - 7
SP  - 759
DO  - 10.2298/JSC130718145M
ER  - 

@article{
author = "Marinković, Aleksandar and Mijin, Dušan and Mirkovic, Jelena and Maslak, Veselin and Kappe, C. Oliver",
year = "2014",
abstract = "A study of the synthesis of 4-(substituted phenyl)-6-phenyl-3-cyano-2-pyridones from ethyl 2-cyano-3-(substituted phenyl) acrylates and acetophenone is presented. The 2-pyridones were obtained using conventional as well as microwave synthesis under solvent and solvent-free conditions in domestic and laboratory microwave ovens. The structure of the obtained pyridones was confirmed by m.p., FT-IR, NMR and UV data.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "A microwave approach to the synthesis of certain 4-(substituted phenyl)-6-phenyl-3-cyano-2-pyridones",
volume = "79",
number = "7",
pages = "759",
doi = "10.2298/JSC130718145M"
}

Marinković, A., Mijin, D., Mirkovic, J., Maslak, V.,& Kappe, C. O.. (2014). A microwave approach to the synthesis of certain 4-(substituted phenyl)-6-phenyl-3-cyano-2-pyridones. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 79(7), 759.
https://doi.org/10.2298/JSC130718145M

Marinković A, Mijin D, Mirkovic J, Maslak V, Kappe CO. A microwave approach to the synthesis of certain 4-(substituted phenyl)-6-phenyl-3-cyano-2-pyridones. in Journal of the Serbian Chemical Society. 2014;79(7):759.
doi:10.2298/JSC130718145M .

Marinković, Aleksandar, Mijin, Dušan, Mirkovic, Jelena, Maslak, Veselin, Kappe, C. Oliver, "A microwave approach to the synthesis of certain 4-(substituted phenyl)-6-phenyl-3-cyano-2-pyridones" in Journal of the Serbian Chemical Society, 79, no. 7 (2014):759,
https://doi.org/10.2298/JSC130718145M . .

TY  - DATA
AU  - Ajaj, Ismail A.
AU  - Mijin, Dušan
AU  - Maslak, Veselin
AU  - Brković, Danijela
AU  - Milčić, Miloš K.
AU  - Todorović, Nina
AU  - Marinković, Aleksandar
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3467
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Supplementary data for article: Ajaj, I. A.; Mijin, D.; Maslak, V.; Brkovic, D.; Milčić, M. K.; Todorović, N.; Marinković, A. A Simple and Convenient Synthesis of Tautomeric (6 or 2)-Hydroxy-4-Methyl-(2 or 6)-Oxo-1-(Substituted Phenyl)-(1,2 or 1,6)-Dihydropyridine-3-Carbonitriles. Monatshefte Fur Chemie 2013, 144 (5), 665–675. https://doi.org/10.1007/s00706-012-0911-5
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3467
ER  - 

@misc{
author = "Ajaj, Ismail A. and Mijin, Dušan and Maslak, Veselin and Brković, Danijela and Milčić, Miloš K. and Todorović, Nina and Marinković, Aleksandar",
year = "2013",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Supplementary data for article: Ajaj, I. A.; Mijin, D.; Maslak, V.; Brkovic, D.; Milčić, M. K.; Todorović, N.; Marinković, A. A Simple and Convenient Synthesis of Tautomeric (6 or 2)-Hydroxy-4-Methyl-(2 or 6)-Oxo-1-(Substituted Phenyl)-(1,2 or 1,6)-Dihydropyridine-3-Carbonitriles. Monatshefte Fur Chemie 2013, 144 (5), 665–675. https://doi.org/10.1007/s00706-012-0911-5",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3467"
}

Ajaj, I. A., Mijin, D., Maslak, V., Brković, D., Milčić, M. K., Todorović, N.,& Marinković, A.. (2013). Supplementary data for article: Ajaj, I. A.; Mijin, D.; Maslak, V.; Brkovic, D.; Milčić, M. K.; Todorović, N.; Marinković, A. A Simple and Convenient Synthesis of Tautomeric (6 or 2)-Hydroxy-4-Methyl-(2 or 6)-Oxo-1-(Substituted Phenyl)-(1,2 or 1,6)-Dihydropyridine-3-Carbonitriles. Monatshefte Fur Chemie 2013, 144 (5), 665–675. https://doi.org/10.1007/s00706-012-0911-5. in Monatshefte Fur Chemie
Springer Wien, Wien..
https://hdl.handle.net/21.15107/rcub_cherry_3467

Ajaj IA, Mijin D, Maslak V, Brković D, Milčić MK, Todorović N, Marinković A. Supplementary data for article: Ajaj, I. A.; Mijin, D.; Maslak, V.; Brkovic, D.; Milčić, M. K.; Todorović, N.; Marinković, A. A Simple and Convenient Synthesis of Tautomeric (6 or 2)-Hydroxy-4-Methyl-(2 or 6)-Oxo-1-(Substituted Phenyl)-(1,2 or 1,6)-Dihydropyridine-3-Carbonitriles. Monatshefte Fur Chemie 2013, 144 (5), 665–675. https://doi.org/10.1007/s00706-012-0911-5. in Monatshefte Fur Chemie. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3467 .

Ajaj, Ismail A., Mijin, Dušan, Maslak, Veselin, Brković, Danijela, Milčić, Miloš K., Todorović, Nina, Marinković, Aleksandar, "Supplementary data for article: Ajaj, I. A.; Mijin, D.; Maslak, V.; Brkovic, D.; Milčić, M. K.; Todorović, N.; Marinković, A. A Simple and Convenient Synthesis of Tautomeric (6 or 2)-Hydroxy-4-Methyl-(2 or 6)-Oxo-1-(Substituted Phenyl)-(1,2 or 1,6)-Dihydropyridine-3-Carbonitriles. Monatshefte Fur Chemie 2013, 144 (5), 665–675. https://doi.org/10.1007/s00706-012-0911-5" in Monatshefte Fur Chemie (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3467 .

TY  - JOUR
AU  - Ajaj, Ismail A.
AU  - Mijin, Dušan
AU  - Maslak, Veselin
AU  - Brković, Danijela
AU  - Milčić, Miloš K.
AU  - Todorović, Nina
AU  - Marinković, Aleksandar
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1587
AB  - A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl-(2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles from ethyl acetoacetate and 2-cyano-N-(substituted phenyl)ethanamides using microwave-assisted chemistry is presented. The structure of the obtained product was confirmed by the use of FT-IR, NMR, UV, and MS techniques. The presence of tautomeric forms (6-hydroxy-4-methyl-2-oxo-1-(substituted phenyl)-1,2-dihydropyridine-3-carbonitrile and 2-hydroxy-4-methyl-6-oxo-1-(substituted phenyl)-1,6-dihydropyridine-3-carbonitrile) and the state of equilibrium of the obtained product in DMSO-d (6) was studied by H-1 and C-13 NMR spectroscopy, as well as B3LYP/6-311++G(d,p) and GIAO/WP04/aug-cc-pVDZ theoretical calculations.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl-(2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles
VL  - 144
IS  - 5
SP  - 665
EP  - 675
DO  - 10.1007/s00706-012-0911-5
ER  - 

@article{
author = "Ajaj, Ismail A. and Mijin, Dušan and Maslak, Veselin and Brković, Danijela and Milčić, Miloš K. and Todorović, Nina and Marinković, Aleksandar",
year = "2013",
abstract = "A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl-(2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles from ethyl acetoacetate and 2-cyano-N-(substituted phenyl)ethanamides using microwave-assisted chemistry is presented. The structure of the obtained product was confirmed by the use of FT-IR, NMR, UV, and MS techniques. The presence of tautomeric forms (6-hydroxy-4-methyl-2-oxo-1-(substituted phenyl)-1,2-dihydropyridine-3-carbonitrile and 2-hydroxy-4-methyl-6-oxo-1-(substituted phenyl)-1,6-dihydropyridine-3-carbonitrile) and the state of equilibrium of the obtained product in DMSO-d (6) was studied by H-1 and C-13 NMR spectroscopy, as well as B3LYP/6-311++G(d,p) and GIAO/WP04/aug-cc-pVDZ theoretical calculations.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl-(2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles",
volume = "144",
number = "5",
pages = "665-675",
doi = "10.1007/s00706-012-0911-5"
}

Ajaj, I. A., Mijin, D., Maslak, V., Brković, D., Milčić, M. K., Todorović, N.,& Marinković, A.. (2013). A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl-(2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles. in Monatshefte Fur Chemie
Springer Wien, Wien., 144(5), 665-675.
https://doi.org/10.1007/s00706-012-0911-5

Ajaj IA, Mijin D, Maslak V, Brković D, Milčić MK, Todorović N, Marinković A. A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl-(2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles. in Monatshefte Fur Chemie. 2013;144(5):665-675.
doi:10.1007/s00706-012-0911-5 .

Ajaj, Ismail A., Mijin, Dušan, Maslak, Veselin, Brković, Danijela, Milčić, Miloš K., Todorović, Nina, Marinković, Aleksandar, "A simple and convenient synthesis of tautomeric (6 or 2)-hydroxy-4-methyl-(2 or 6)-oxo-1-(substituted phenyl)-(1,2 or 1,6)-dihydropyridine-3-carbonitriles" in Monatshefte Fur Chemie, 144, no. 5 (2013):665-675,
https://doi.org/10.1007/s00706-012-0911-5 . .

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Brkić, Dominik R.
AU  - Martinovic, Jelena S.
AU  - Mijin, Dušan
AU  - Milčić, Miloš K.
AU  - Petrović, Slobodan D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1361
AB  - Linear free energy relationships (LFER) were applied to the IR, H-1- and C-13-NMR spectral data of N-(substituted phenyl)-2-cyanoacetamides. A variety of substituents were employed for phenyl substitution and fairly good correlations were obtained using the simple Hammett and the Hammett-Taft dual substituent parameter equations. The correlation results of the substituent induced C-13-NMR chemical shifts (SCS) of the Cl, C=O and N-H atom indicated different sensitivity with respect to electronic substituent effects. A better correlation of the SCSc=O with a combination of electrophllic and nucleophilic substituent constants indicated a significant contribution of extended resonance interaction (pi-delocalization) within the pi(1)-unit. The conformations of the investigated compounds were studied using the OFT B3LYP/6-311G** method and, together with the results of C-13-NMR and IR spectroscopic studies, a better insight into the influence of such a structure on the transmission of electronic substituent effects was obtained.
AB  - Principi linearnih korelacija slobodnih energija (LFER) su primenjeni na IR, 1H- i 13C-NMR spektralne podatke N-(supstituisanih fenil)-2-cijanoacetamida. Pri sintezi N-(supstituisanih fenil)-2-cijanoacetamida izvršen je zadovoljavajući izbor supstituenata u pogledu elektronskih svojstava kako bi se adekvatno sagledao uticaj elektronskih efekata supstituenata na pomeranja u IR, 1H- i 13C-NMR spektralnim podacima. Primenom proste Hametove jednačine dobijene su zadovoljavajuće korelacije. Na osnovu korelacionih rezultata uočen je primaran uticaj elektronskih efekata na SCS (supstituentom indukovana hemijska pomeranja) vrednosti N-H vodonika, C1 i C=O ugljenika ispitivanih jedinjenja. Korelacioni rezultati za C=O ugljenik se značajno popravljaju ako se koristi kombinacija Ϭ+ i Ϭ- konstanti supstituenata, takozvane elektrofilne i nukleofilne konstante supstituenata, što ukazuje na postojanje značajne proširene rezonancione interakcije supstituenata i elektronske gustine karbonilne grupe. Vrednosti konstanti proporcionalnosti pF i pR za sve atome, ukazuju na približno isti doprinos efekta polja i rezonancionog efekta supstituenata. Efekat polja je nešto izraženji na N-H vodoniku, i za sve atome pokazuje značajne razlike u odnosu na njihov položaj u molekulskoj strukturi ispitivanih jedinjenja. Uticaj efekata supstituenata na IR vibracije istezanja N-H (simetrične i antisimetrične), C=O i CN veze je prevashodno elektronske prirode što se može zaključiti na osnovu dobrih korelacija dobijenih primenom Hametove jednačine i Ϭ parametara supstituenata. Osim toga izvršena je optimizacija geometrije ispitivanih jedinjenja primenom DFT B3LYP/ 6-311G**metode, pri čemu je nađeno da je trans-izomer nešto stabilnji, izuzev u slučaju jedinjenja 3. Supstituisana fenil-grupa i amidna grupa, kod trans-izomera, su približno koplanarne, dok se kod cis- izomera uočava značajna devijacija koja je značajno određena elektronskim efektima prisutnog supstituenta. Takođe je ispitivan položaj cis/trans ravnoteže u ugjen-tetrahloridu, i na osnovu rezultata FT/R analize, kada je prisutan H, CH3, OCH3, Br, i COOH supstituent, nađeno je da je cis izomer u velikom višku, a za ostala jedinjenja utvrđeno je postojanje ravnoteže cis- i trans-izomera.
PB  - Assoc Chemical Eng, Belgrade
T2  - Chemical Industry and Chemical Engineering Quarterly / CICEQ
T1  - Substituent Effect on Ir, H-1- and C-13-Nmr Spectral Data in /N-(Substituted Phenyl)-2-Cyanoacetamides: a Correlation Study
T1  - Uticaj supstituenata na IR, 1H- i 13C-NMR spektralne podatke N-(supstituisanih fenil)-2-cijanoacetamida - korelaciona analiza
VL  - 19
IS  - 1
SP  - 67
EP  - 78
DO  - 10.2298/CICEQ120109044M
ER  - 

@article{
author = "Marinković, Aleksandar and Brkić, Dominik R. and Martinovic, Jelena S. and Mijin, Dušan and Milčić, Miloš K. and Petrović, Slobodan D.",
year = "2013",
abstract = "Linear free energy relationships (LFER) were applied to the IR, H-1- and C-13-NMR spectral data of N-(substituted phenyl)-2-cyanoacetamides. A variety of substituents were employed for phenyl substitution and fairly good correlations were obtained using the simple Hammett and the Hammett-Taft dual substituent parameter equations. The correlation results of the substituent induced C-13-NMR chemical shifts (SCS) of the Cl, C=O and N-H atom indicated different sensitivity with respect to electronic substituent effects. A better correlation of the SCSc=O with a combination of electrophllic and nucleophilic substituent constants indicated a significant contribution of extended resonance interaction (pi-delocalization) within the pi(1)-unit. The conformations of the investigated compounds were studied using the OFT B3LYP/6-311G** method and, together with the results of C-13-NMR and IR spectroscopic studies, a better insight into the influence of such a structure on the transmission of electronic substituent effects was obtained., Principi linearnih korelacija slobodnih energija (LFER) su primenjeni na IR, 1H- i 13C-NMR spektralne podatke N-(supstituisanih fenil)-2-cijanoacetamida. Pri sintezi N-(supstituisanih fenil)-2-cijanoacetamida izvršen je zadovoljavajući izbor supstituenata u pogledu elektronskih svojstava kako bi se adekvatno sagledao uticaj elektronskih efekata supstituenata na pomeranja u IR, 1H- i 13C-NMR spektralnim podacima. Primenom proste Hametove jednačine dobijene su zadovoljavajuće korelacije. Na osnovu korelacionih rezultata uočen je primaran uticaj elektronskih efekata na SCS (supstituentom indukovana hemijska pomeranja) vrednosti N-H vodonika, C1 i C=O ugljenika ispitivanih jedinjenja. Korelacioni rezultati za C=O ugljenik se značajno popravljaju ako se koristi kombinacija Ϭ+ i Ϭ- konstanti supstituenata, takozvane elektrofilne i nukleofilne konstante supstituenata, što ukazuje na postojanje značajne proširene rezonancione interakcije supstituenata i elektronske gustine karbonilne grupe. Vrednosti konstanti proporcionalnosti pF i pR za sve atome, ukazuju na približno isti doprinos efekta polja i rezonancionog efekta supstituenata. Efekat polja je nešto izraženji na N-H vodoniku, i za sve atome pokazuje značajne razlike u odnosu na njihov položaj u molekulskoj strukturi ispitivanih jedinjenja. Uticaj efekata supstituenata na IR vibracije istezanja N-H (simetrične i antisimetrične), C=O i CN veze je prevashodno elektronske prirode što se može zaključiti na osnovu dobrih korelacija dobijenih primenom Hametove jednačine i Ϭ parametara supstituenata. Osim toga izvršena je optimizacija geometrije ispitivanih jedinjenja primenom DFT B3LYP/ 6-311G**metode, pri čemu je nađeno da je trans-izomer nešto stabilnji, izuzev u slučaju jedinjenja 3. Supstituisana fenil-grupa i amidna grupa, kod trans-izomera, su približno koplanarne, dok se kod cis- izomera uočava značajna devijacija koja je značajno određena elektronskim efektima prisutnog supstituenta. Takođe je ispitivan položaj cis/trans ravnoteže u ugjen-tetrahloridu, i na osnovu rezultata FT/R analize, kada je prisutan H, CH3, OCH3, Br, i COOH supstituent, nađeno je da je cis izomer u velikom višku, a za ostala jedinjenja utvrđeno je postojanje ravnoteže cis- i trans-izomera.",
publisher = "Assoc Chemical Eng, Belgrade",
journal = "Chemical Industry and Chemical Engineering Quarterly / CICEQ",
title = "Substituent Effect on Ir, H-1- and C-13-Nmr Spectral Data in /N-(Substituted Phenyl)-2-Cyanoacetamides: a Correlation Study, Uticaj supstituenata na IR, 1H- i 13C-NMR spektralne podatke N-(supstituisanih fenil)-2-cijanoacetamida - korelaciona analiza",
volume = "19",
number = "1",
pages = "67-78",
doi = "10.2298/CICEQ120109044M"
}

Marinković, A., Brkić, D. R., Martinovic, J. S., Mijin, D., Milčić, M. K.,& Petrović, S. D.. (2013). Substituent Effect on Ir, H-1- and C-13-Nmr Spectral Data in /N-(Substituted Phenyl)-2-Cyanoacetamides: a Correlation Study. in Chemical Industry and Chemical Engineering Quarterly / CICEQ
Assoc Chemical Eng, Belgrade., 19(1), 67-78.
https://doi.org/10.2298/CICEQ120109044M

Marinković A, Brkić DR, Martinovic JS, Mijin D, Milčić MK, Petrović SD. Substituent Effect on Ir, H-1- and C-13-Nmr Spectral Data in /N-(Substituted Phenyl)-2-Cyanoacetamides: a Correlation Study. in Chemical Industry and Chemical Engineering Quarterly / CICEQ. 2013;19(1):67-78.
doi:10.2298/CICEQ120109044M .

Marinković, Aleksandar, Brkić, Dominik R., Martinovic, Jelena S., Mijin, Dušan, Milčić, Miloš K., Petrović, Slobodan D., "Substituent Effect on Ir, H-1- and C-13-Nmr Spectral Data in /N-(Substituted Phenyl)-2-Cyanoacetamides: a Correlation Study" in Chemical Industry and Chemical Engineering Quarterly / CICEQ, 19, no. 1 (2013):67-78,
https://doi.org/10.2298/CICEQ120109044M . .