TY  - JOUR
AU  - Porobić, Slavica
AU  - Božić, Bojan
AU  - Dramićanin, Miroslav
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Marinović-Cincović, Milena
AU  - Mijin, Dušan
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4482
AB  - A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT-IR, H-1 and C-13 NMR, UV-Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert-Mataga, Reichardt-Dimroth and Kamlet-Taft equations. Moreover, UV-Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties.
PB  - Elsevier Sci Ltd, Oxford
T2  - Dyes and Pigments
T1  - Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects
VL  - 175
DO  - 10.1016/j.dyepig.2019.108139
ER  - 

@article{
author = "Porobić, Slavica and Božić, Bojan and Dramićanin, Miroslav and Vitnik, Vesna and Vitnik, Željko and Marinović-Cincović, Milena and Mijin, Dušan",
year = "2020",
abstract = "A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT-IR, H-1 and C-13 NMR, UV-Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert-Mataga, Reichardt-Dimroth and Kamlet-Taft equations. Moreover, UV-Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Dyes and Pigments",
title = "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects",
volume = "175",
doi = "10.1016/j.dyepig.2019.108139"
}

Porobić, S., Božić, B., Dramićanin, M., Vitnik, V., Vitnik, Ž., Marinović-Cincović, M.,& Mijin, D.. (2020). Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments
Elsevier Sci Ltd, Oxford., 175.
https://doi.org/10.1016/j.dyepig.2019.108139

Porobić S, Božić B, Dramićanin M, Vitnik V, Vitnik Ž, Marinović-Cincović M, Mijin D. Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments. 2020;175.
doi:10.1016/j.dyepig.2019.108139 .

Porobić, Slavica, Božić, Bojan, Dramićanin, Miroslav, Vitnik, Vesna, Vitnik, Željko, Marinović-Cincović, Milena, Mijin, Dušan, "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects" in Dyes and Pigments, 175 (2020),
https://doi.org/10.1016/j.dyepig.2019.108139 . .

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4480
AB  - This study describes photolysis of 1 x 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 x 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  gt  tert-butanol  gt  n-hexane  gt  sec-butanol  gt  ethanol  gt  isopentanol  gt  isobutanol  gt  isopropanol  gt  methanol  gt  acetonitrile  gt  dichloromethane  gt  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 Science Sa, Lausanne
T2  - Journal of Photochemistry and Photobiology A-Chemistry
T1  - Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study
VL  - 391
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 and Marinković, Aleksandar",
year = "2020",
abstract = "This study describes photolysis of 1 x 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 x 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  gt  tert-butanol  gt  n-hexane  gt  sec-butanol  gt  ethanol  gt  isopentanol  gt  isobutanol  gt  isopropanol  gt  methanol  gt  acetonitrile  gt  dichloromethane  gt  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 Science Sa, Lausanne",
journal = "Journal of Photochemistry and Photobiology A-Chemistry",
title = "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study",
volume = "391",
doi = "10.1016/j.jphotochem.2020.112366"
}

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

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

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

TY  - JOUR
AU  - Janjić, Goran
AU  - Jelić, Stefan
AU  - Trišović, Nemanja
AU  - Popović, Dragan
AU  - Đorđević, Ivana
AU  - Milčić, Miloš
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4527
AB  - Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F center dot center dot center dot F interactions is followed by the shift of the electron density in the area of F center dot center dot center dot F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F center dot center dot center dot F interactions in crystal structures, but also a large number of structures with F center dot center dot center dot O interactions. Only C-H center dot center dot center dot F interactions are more numerous than F center dot center dot center dot F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth & Design
T1  - New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures
EP  - 2951
IS  - 5
SP  - 2943
VL  - 20
DO  - 10.1021/acs.cgd.9b01565
ER  - 

@article{
author = "Janjić, Goran and Jelić, Stefan and Trišović, Nemanja and Popović, Dragan and Đorđević, Ivana and Milčić, Miloš",
year = "2020",
abstract = "Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F center dot center dot center dot F interactions is followed by the shift of the electron density in the area of F center dot center dot center dot F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F center dot center dot center dot F interactions in crystal structures, but also a large number of structures with F center dot center dot center dot O interactions. Only C-H center dot center dot center dot F interactions are more numerous than F center dot center dot center dot F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth & Design",
title = "New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures",
pages = "2951-2943",
number = "5",
volume = "20",
doi = "10.1021/acs.cgd.9b01565"
}

Janjić, G., Jelić, S., Trišović, N., Popović, D., Đorđević, I.,& Milčić, M.. (2020). New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth & Design
Amer Chemical Soc, Washington., 20(5), 2943-2951.
https://doi.org/10.1021/acs.cgd.9b01565

Janjić G, Jelić S, Trišović N, Popović D, Đorđević I, Milčić M. New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth & Design. 2020;20(5):2943-2951.
doi:10.1021/acs.cgd.9b01565 .

Janjić, Goran, Jelić, Stefan, Trišović, Nemanja, Popović, Dragan, Đorđević, Ivana, Milčić, Miloš, "New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures" in Crystal Growth & Design, 20, no. 5 (2020):2943-2951,
https://doi.org/10.1021/acs.cgd.9b01565 . .

TY  - JOUR
AU  - Petković-Cvetković, Jelena
AU  - Božić, Bojan
AU  - Banjac, Nebojša
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4267
AB  - Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions by using microwave irradiation. All obtained compounds were characterized by ultraviolet (UV), Fourier-transform infrared (FT-IR), H-1 and C-13 nuclear magnetic resonance (NMR) spectroscopy as well as by elemental analysis. The influence of the substituent electronic effects on spectroscopic data was analyzed by applying the Hammett equation. Moreover, a detailed interpretation and comparison of experimentally obtained and theoretically calculated FT-IR, UV and NMR spectra was performed. Density functional theory (DFT) calculated data of the investigated succinimides were obtained and analyzed in order to determine their structural, spectroscopic and electronic properties. Furthermore, ADMET factor profiling and in-silico prediction of potential biological activities of novel succinimide derivatives have been performed.
PB  - Savez hemijskih inženjera, Beograd
T2  - Hemijska industrija
T1  - Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents
EP  - 137
IS  - 2
SP  - 125
VL  - 73
DO  - 10.2298/HEMIND190214011P
ER  - 

@article{
author = "Petković-Cvetković, Jelena and Božić, Bojan and Banjac, Nebojša and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Valentić, Nataša and Ušćumlić, Gordana",
year = "2019",
abstract = "Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions by using microwave irradiation. All obtained compounds were characterized by ultraviolet (UV), Fourier-transform infrared (FT-IR), H-1 and C-13 nuclear magnetic resonance (NMR) spectroscopy as well as by elemental analysis. The influence of the substituent electronic effects on spectroscopic data was analyzed by applying the Hammett equation. Moreover, a detailed interpretation and comparison of experimentally obtained and theoretically calculated FT-IR, UV and NMR spectra was performed. Density functional theory (DFT) calculated data of the investigated succinimides were obtained and analyzed in order to determine their structural, spectroscopic and electronic properties. Furthermore, ADMET factor profiling and in-silico prediction of potential biological activities of novel succinimide derivatives have been performed.",
publisher = "Savez hemijskih inženjera, Beograd",
journal = "Hemijska industrija",
title = "Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents",
pages = "137-125",
number = "2",
volume = "73",
doi = "10.2298/HEMIND190214011P"
}

Petković-Cvetković, J., Božić, B., Banjac, N., Lađarević, J., Vitnik, V., Vitnik, Ž., Valentić, N.,& Ušćumlić, G.. (2019). Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents. in Hemijska industrija
Savez hemijskih inženjera, Beograd., 73(2), 125-137.
https://doi.org/10.2298/HEMIND190214011P

Petković-Cvetković J, Božić B, Banjac N, Lađarević J, Vitnik V, Vitnik Ž, Valentić N, Ušćumlić G. Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents. in Hemijska industrija. 2019;73(2):125-137.
doi:10.2298/HEMIND190214011P .

Petković-Cvetković, Jelena, Božić, Bojan, Banjac, Nebojša, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Valentić, Nataša, Ušćumlić, Gordana, "Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents" in Hemijska industrija, 73, no. 2 (2019):125-137,
https://doi.org/10.2298/HEMIND190214011P . .

TY  - JOUR
AU  - Petković-Cvetković, Jelena
AU  - Božić, Bojan
AU  - Banjac, Nebojša
AU  - Petrović, Jovana
AU  - Soković, Marina
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Ušćumlić, Gordana
AU  - Valentić, Nataša
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4309
AB  - In the present study, twelve new 1-aryl-3-ethyl-3-methylpyrrolidine-2,5-diones were synthesized and their structures were characterized by FT-IR, H-1 NMR, C-13 NMR spectroscopy and elemental analysis. In the final step of synthetic rout, condensation between corresponding succinic acid and substituted anilines has been improved using the microwave irradiation. Significantly higher yields compared to conventional condensation have been observed. The preliminary biological results indicated that some of the synthesized compounds showed promising in vitro antifungal activities towards several test fungi. 1-(4-Bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8) exhibited significant in vitro inhibitory activities against broad spectra of fungus, and on the basis of obtained data, the investigated bromo derivative has to be observed as novel potential fungicide. The density functional theory (DFT) calculations have been performed in order to study the structure-activity relationship (SAR) of the investigated molecules. In order to prediction of the chemical activity of the molecule, the molecular electrostatic potential (MEP) map was analyzed for the optimized geometry of 1-phenyl-3-ethyl-3-methylpyrrolidine-2,5-dione (4) and 1-(4-bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8).
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives
EP  - 156
SP  - 148
VL  - 1181
DO  - 10.1016/j.molstruc.2018.12.083
ER  - 

@article{
author = "Petković-Cvetković, Jelena and Božić, Bojan and Banjac, Nebojša and Petrović, Jovana and Soković, Marina and Vitnik, Vesna and Vitnik, Željko and Ušćumlić, Gordana and Valentić, Nataša",
year = "2019",
abstract = "In the present study, twelve new 1-aryl-3-ethyl-3-methylpyrrolidine-2,5-diones were synthesized and their structures were characterized by FT-IR, H-1 NMR, C-13 NMR spectroscopy and elemental analysis. In the final step of synthetic rout, condensation between corresponding succinic acid and substituted anilines has been improved using the microwave irradiation. Significantly higher yields compared to conventional condensation have been observed. The preliminary biological results indicated that some of the synthesized compounds showed promising in vitro antifungal activities towards several test fungi. 1-(4-Bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8) exhibited significant in vitro inhibitory activities against broad spectra of fungus, and on the basis of obtained data, the investigated bromo derivative has to be observed as novel potential fungicide. The density functional theory (DFT) calculations have been performed in order to study the structure-activity relationship (SAR) of the investigated molecules. In order to prediction of the chemical activity of the molecule, the molecular electrostatic potential (MEP) map was analyzed for the optimized geometry of 1-phenyl-3-ethyl-3-methylpyrrolidine-2,5-dione (4) and 1-(4-bromophenyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (8).",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives",
pages = "156-148",
volume = "1181",
doi = "10.1016/j.molstruc.2018.12.083"
}

Petković-Cvetković, J., Božić, B., Banjac, N., Petrović, J., Soković, M., Vitnik, V., Vitnik, Ž., Ušćumlić, G.,& Valentić, N.. (2019). Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 1181, 148-156.
https://doi.org/10.1016/j.molstruc.2018.12.083

Petković-Cvetković J, Božić B, Banjac N, Petrović J, Soković M, Vitnik V, Vitnik Ž, Ušćumlić G, Valentić N. Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives. in Journal of Molecular Structure. 2019;1181:148-156.
doi:10.1016/j.molstruc.2018.12.083 .

Petković-Cvetković, Jelena, Božić, Bojan, Banjac, Nebojša, Petrović, Jovana, Soković, Marina, Vitnik, Vesna, Vitnik, Željko, Ušćumlić, Gordana, Valentić, Nataša, "Synthesis, antimicrobial activity and quantum chemical investigation of novel succinimide derivatives" in Journal of Molecular Structure, 1181 (2019):148-156,
https://doi.org/10.1016/j.molstruc.2018.12.083 . .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Radovanović, Lidija D.
AU  - Božić, Bojan Đ.
AU  - Božić Nedeljković, Biljana Đ.
AU  - Vitnik, Vesna D.
AU  - Vitnik, Željko J.
AU  - Rogan, Jelena R.
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana S.
AU  - Trišović, Nemanja P.
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4324
AB  - Two series of cycloalkanespiro-5-hydantoins, namely cyclo-hexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV-Vis, H-1 and C-13 NMR spectroscopy and X-ray crystallography. Regarding their structure-activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N-H center dot center dot center dot center dot O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, OFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV-Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety
EP  - 62
SP  - 48
VL  - 1180
DO  - 10.1016/j.molstruc.2018.11.071
ER  - 

@article{
author = "Lazić, Anita M. and Radovanović, Lidija D. and Božić, Bojan Đ. and Božić Nedeljković, Biljana Đ. and Vitnik, Vesna D. and Vitnik, Željko J. and Rogan, Jelena R. and Valentić, Nataša V. and Ušćumlić, Gordana S. and Trišović, Nemanja P.",
year = "2019",
abstract = "Two series of cycloalkanespiro-5-hydantoins, namely cyclo-hexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV-Vis, H-1 and C-13 NMR spectroscopy and X-ray crystallography. Regarding their structure-activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N-H center dot center dot center dot center dot O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, OFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV-Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety",
pages = "62-48",
volume = "1180",
doi = "10.1016/j.molstruc.2018.11.071"
}

Lazić, A. M., Radovanović, L. D., Božić, B. Đ., Božić Nedeljković, B. Đ., Vitnik, V. D., Vitnik, Ž. J., Rogan, J. R., Valentić, N. V., Ušćumlić, G. S.,& Trišović, N. P.. (2019). Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 1180, 48-62.
https://doi.org/10.1016/j.molstruc.2018.11.071

Lazić AM, Radovanović LD, Božić BĐ, Božić Nedeljković BĐ, Vitnik VD, Vitnik ŽJ, Rogan JR, Valentić NV, Ušćumlić GS, Trišović NP. Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure. 2019;1180:48-62.
doi:10.1016/j.molstruc.2018.11.071 .

Lazić, Anita M., Radovanović, Lidija D., Božić, Bojan Đ., Božić Nedeljković, Biljana Đ., Vitnik, Vesna D., Vitnik, Željko J., Rogan, Jelena R., Valentić, Nataša V., Ušćumlić, Gordana S., Trišović, Nemanja P., "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety" in Journal of Molecular Structure, 1180 (2019):48-62,
https://doi.org/10.1016/j.molstruc.2018.11.071 . .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Radovanović, Lidija D.
AU  - Božić, Bojan Đ.
AU  - Božić Nedeljković, Biljana Đ.
AU  - Vitnik, Vesna D.
AU  - Vitnik, Željko J.
AU  - Rogan, Jelena R.
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana S.
AU  - Trišović, Nemanja P.
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5038
AB  - Two series of cycloalkanespiro-5-hydantoins, namely cyclohexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV–Vis, 1 H and 13 C NMR spectroscopy and X-ray crystallography. Regarding their structure–activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N–H⋯O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, DFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV–Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.
PB  - Elsevier B.V.
T2  - Journal of Molecular Structure
T1  - Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety
EP  - 62
SP  - 48
VL  - 1180
DO  - 10.1016/j.molstruc.2018.11.071
ER  - 

@article{
author = "Lazić, Anita M. and Radovanović, Lidija D. and Božić, Bojan Đ. and Božić Nedeljković, Biljana Đ. and Vitnik, Vesna D. and Vitnik, Željko J. and Rogan, Jelena R. and Valentić, Nataša V. and Ušćumlić, Gordana S. and Trišović, Nemanja P.",
year = "2019",
abstract = "Two series of cycloalkanespiro-5-hydantoins, namely cyclohexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized and their effects on proliferation of human colon (HCT-116), leukemia (K562) and breast (MDA-MB-231) cancer cell lines were tested. For comparison, we also described the 5,5-diphenylhydantoin analogues. The structural features of the investigated compounds were characterized by elemental analysis, FT-IR, UV–Vis, 1 H and 13 C NMR spectroscopy and X-ray crystallography. Regarding their structure–activity relationships, it was shown that the substitution on the benzyl moiety with the methoxy, chloro or bromo group potentiated the antiproliferative activity relative to the parent compounds, while an increase in the size of the cycloalkyl group resulted mostly in a decrease of the antiproliferative activity. The single crystal X-ray analysis revealed the existence of dimers and chains formed by the N–H⋯O hydrogen bonds. The analysis of the molecular descriptors of Lipinski demonstrated that all investigated compounds obeyed the rule of five. To further understand their geometry and electronic structure, DFT calculations with B3LYP method using 6-311++G(d,p) basic set were performed. In this context, the UV–Vis spectra of the investigated compounds were analyzed in detail, whereby the predicted absorption spectra from DFT calculation matched the experimentally obtained ones, with a good correlation. The interesting physico-chemical and pharmacologically relevant properties of the investigated compounds warrant their further investigation.",
publisher = "Elsevier B.V.",
journal = "Journal of Molecular Structure",
title = "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety",
pages = "62-48",
volume = "1180",
doi = "10.1016/j.molstruc.2018.11.071"
}

Lazić, A. M., Radovanović, L. D., Božić, B. Đ., Božić Nedeljković, B. Đ., Vitnik, V. D., Vitnik, Ž. J., Rogan, J. R., Valentić, N. V., Ušćumlić, G. S.,& Trišović, N. P.. (2019). Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure
Elsevier B.V.., 1180, 48-62.
https://doi.org/10.1016/j.molstruc.2018.11.071

Lazić AM, Radovanović LD, Božić BĐ, Božić Nedeljković BĐ, Vitnik VD, Vitnik ŽJ, Rogan JR, Valentić NV, Ušćumlić GS, Trišović NP. Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety. in Journal of Molecular Structure. 2019;1180:48-62.
doi:10.1016/j.molstruc.2018.11.071 .

Lazić, Anita M., Radovanović, Lidija D., Božić, Bojan Đ., Božić Nedeljković, Biljana Đ., Vitnik, Vesna D., Vitnik, Željko J., Rogan, Jelena R., Valentić, Nataša V., Ušćumlić, Gordana S., Trišović, Nemanja P., "Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety" in Journal of Molecular Structure, 1180 (2019):48-62,
https://doi.org/10.1016/j.molstruc.2018.11.071 . .

TY  - JOUR
AU  - Matović, Luka
AU  - Tasić, Nikola
AU  - Trišović, Nemanja
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Grgur, Branimir
AU  - Mijin, Dušan
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4073
AB  - In order to get a better insight into the relationship between molecular structure and photovoltaic performance, six monoazo dye molecules containing benzoic and cinnamic acid moieties were synthesized and their photovoltaic properties were studied. Three of them have not been previously used in solar cells. Spectroscopic measurements of the investigated compounds coupled with theoretical calculations were performed. Short-circuit current density, open-circuit voltage, and fill-factor were determined. It was found that a larger amount of short-circuit current density will be generated if the HOMO-LUMO energy gap is lower, determined by the stability of the molecule and the electronic effect of the donor moiety. Among both series of synthesized dye molecules, the highest obtained values of short-circuit current density were achieved with (2-hydroxynaphthalene-1-ylazo)benzoic acid and (2-hydroxynaphthalene-1-ylazo)cinnamic acid, and thus they were regarded as promising candidates for application in dye-sensitized solar cells.
PB  - Scientific Technical Research Council Turkey-Tubitak, Ankara
T2  - Turkish Journal of Chemistry
T1  - On the azo dyes derived from benzoic and cinnamic acids used as photosensitizers in dye-sensitized solar cells
EP  - 1203
IS  - 4
SP  - 1183
VL  - 43
DO  - 10.3906/kim-1903-76
ER  - 

@article{
author = "Matović, Luka and Tasić, Nikola and Trišović, Nemanja and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Grgur, Branimir and Mijin, Dušan",
year = "2019",
abstract = "In order to get a better insight into the relationship between molecular structure and photovoltaic performance, six monoazo dye molecules containing benzoic and cinnamic acid moieties were synthesized and their photovoltaic properties were studied. Three of them have not been previously used in solar cells. Spectroscopic measurements of the investigated compounds coupled with theoretical calculations were performed. Short-circuit current density, open-circuit voltage, and fill-factor were determined. It was found that a larger amount of short-circuit current density will be generated if the HOMO-LUMO energy gap is lower, determined by the stability of the molecule and the electronic effect of the donor moiety. Among both series of synthesized dye molecules, the highest obtained values of short-circuit current density were achieved with (2-hydroxynaphthalene-1-ylazo)benzoic acid and (2-hydroxynaphthalene-1-ylazo)cinnamic acid, and thus they were regarded as promising candidates for application in dye-sensitized solar cells.",
publisher = "Scientific Technical Research Council Turkey-Tubitak, Ankara",
journal = "Turkish Journal of Chemistry",
title = "On the azo dyes derived from benzoic and cinnamic acids used as photosensitizers in dye-sensitized solar cells",
pages = "1203-1183",
number = "4",
volume = "43",
doi = "10.3906/kim-1903-76"
}

Matović, L., Tasić, N., Trišović, N., Lađarević, J., Vitnik, V., Vitnik, Ž., Grgur, B.,& Mijin, D.. (2019). On the azo dyes derived from benzoic and cinnamic acids used as photosensitizers in dye-sensitized solar cells. in Turkish Journal of Chemistry
Scientific Technical Research Council Turkey-Tubitak, Ankara., 43(4), 1183-1203.
https://doi.org/10.3906/kim-1903-76

Matović L, Tasić N, Trišović N, Lađarević J, Vitnik V, Vitnik Ž, Grgur B, Mijin D. On the azo dyes derived from benzoic and cinnamic acids used as photosensitizers in dye-sensitized solar cells. in Turkish Journal of Chemistry. 2019;43(4):1183-1203.
doi:10.3906/kim-1903-76 .

Matović, Luka, Tasić, Nikola, Trišović, Nemanja, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Grgur, Branimir, Mijin, Dušan, "On the azo dyes derived from benzoic and cinnamic acids used as photosensitizers in dye-sensitized solar cells" in Turkish Journal of Chemistry, 43, no. 4 (2019):1183-1203,
https://doi.org/10.3906/kim-1903-76 . .

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Gašić, Slavica
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4295
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.
AB  - Proučavana je fotokatalitička degradacija model jedinjenja karbamatnog insekticida karbofurana u vodi, u prisustvu polihromatske svetlosti i katalizatora ZnO i TiO2. Ispitivan je uticaj reakcionih parametara, kao što su vreme reakcije i početna koncentracija karbofurana, na fotokatalitičku degradaciju. Ustanovljeno je da je reakcija bila pseudo-prvog reda i primenom optimalnih uslova skoro potpuno uklanjanje 88,4 mg L-1 karbofurana dogodilo se u toku 2 sata. Reakcije su praćene primenom UV spektroskopije i tečne hromatografije visokih performansi (HPLC). Naknadno, upoređena je fotokatalitička efikasnost katalizatora ZnO i TiO2 primenom identičnih reakcionih uslova.
PB  - Institute of Pesticides and Environmental Protection
T2  - Pesticidi i fitomedicina
T1  - Photocatalytic degradation of carbamate insecticides: Effect of different parameters
T1  - Fotokatalitička degradacija karbamatnih insekticida - efekti različitih parametara
EP  - 200
IS  - 3-4
SP  - 193
VL  - 34
DO  - 10.2298/PIF1904193T
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., Proučavana je fotokatalitička degradacija model jedinjenja karbamatnog insekticida karbofurana u vodi, u prisustvu polihromatske svetlosti i katalizatora ZnO i TiO2. Ispitivan je uticaj reakcionih parametara, kao što su vreme reakcije i početna koncentracija karbofurana, na fotokatalitičku degradaciju. Ustanovljeno je da je reakcija bila pseudo-prvog reda i primenom optimalnih uslova skoro potpuno uklanjanje 88,4 mg L-1 karbofurana dogodilo se u toku 2 sata. Reakcije su praćene primenom UV spektroskopije i tečne hromatografije visokih performansi (HPLC). Naknadno, upoređena je fotokatalitička efikasnost katalizatora ZnO i TiO2 primenom identičnih reakcionih uslova.",
publisher = "Institute of Pesticides and Environmental Protection",
journal = "Pesticidi i fitomedicina",
title = "Photocatalytic degradation of carbamate insecticides: Effect of different parameters, Fotokatalitička degradacija karbamatnih insekticida - efekti različitih parametara",
pages = "200-193",
number = "3-4",
volume = "34",
doi = "10.2298/PIF1904193T"
}

Tomašević, A., Mijin, D., Marinković, A., Cvijetić, I.,& Gašić, S.. (2019). Photocatalytic degradation of carbamate insecticides: Effect of different parameters. in Pesticidi i fitomedicina
Institute of Pesticides and Environmental Protection., 34(3-4), 193-200.
https://doi.org/10.2298/PIF1904193T

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(3-4):193-200.
doi:10.2298/PIF1904193T .

Tomašević, Anđelka, Mijin, Dušan, Marinković, Aleksandar, Cvijetić, Ilija, Gašić, Slavica, "Photocatalytic degradation of carbamate insecticides: Effect of different parameters" in Pesticidi i fitomedicina, 34, no. 3-4 (2019):193-200,
https://doi.org/10.2298/PIF1904193T . .

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4147
AB  - Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH.). The appearance of thiolic -SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study
EP  - 2457
IS  - 6
SP  - 2447
VL  - 30
DO  - 10.1007/s11224-019-01371-4
ER  - 

@article{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar and Cvijetić, Ilija",
year = "2019",
abstract = "Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH.). The appearance of thiolic -SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study",
pages = "2457-2447",
number = "6",
volume = "30",
doi = "10.1007/s11224-019-01371-4"
}

Assaleh, M. H., Božić, A. R., Bjelogrlić, S. K., Milošević, M. D., Simić, M. R., Marinković, A.,& Cvijetić, I.. (2019). Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry
Springer/Plenum Publishers, New York., 30(6), 2447-2457.
https://doi.org/10.1007/s11224-019-01371-4

Assaleh MH, Božić AR, Bjelogrlić SK, Milošević MD, Simić MR, Marinković A, Cvijetić I. Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry. 2019;30(6):2447-2457.
doi:10.1007/s11224-019-01371-4 .

Assaleh, Mohamed H., Božić, Aleksandra R., Bjelogrlić, Snežana K., Milošević, Milena D., Simić, Milena R., Marinković, Aleksandar, Cvijetić, Ilija, "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study" in Structural Chemistry, 30, no. 6 (2019):2447-2457,
https://doi.org/10.1007/s11224-019-01371-4 . .

TY  - JOUR
AU  - Božić, Bojan
AU  - Lović, Jelena
AU  - Banjac, Nebojša
AU  - Vitnik, Željko
AU  - Vitnik, Vesna
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
AU  - Avramov-Ivić, Milka
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3871
AB  - A series of succinimide derivatives were studied using the cyclic and square wave voltammetry. Density function theory was used in order to determinate which of the structural parameters influence the electrochemical activity. The quantum chemical calculations of the investigated succinimides were linked with the experimental electrochemical data and used to propose the oxidation mechanism. The most active among studied succinimides is 1,3-diphenylsuccinimide. The results obtained from the cyclic and square wave voltammetry and quantum chemical calculations indicate that the investigated compounds undergo oxidation by irreversible, diffusion controlled process including transfer of 1e(-) and 1 proton. The voltammetric and DFT results signify that the mechanism of electrochemical oxidation of all compounds involve the conversion of carbonyl-methyne-phenyl segment or methylene group in free radical. This conversion proceeds by the loss of one proton one electron process.
PB  - Electrochemical Science Group, Beograd
T2  - International Journal of Electrochemical Science
T1  - Voltammetric and Quantum Investigation of Selected Succinimides
EP  - 4297
IS  - 5
SP  - 4285
VL  - 13
DO  - 10.20964/2018.05.54
ER  - 

@article{
author = "Božić, Bojan and Lović, Jelena and Banjac, Nebojša and Vitnik, Željko and Vitnik, Vesna and Mijin, Dušan and Ušćumlić, Gordana and Avramov-Ivić, Milka",
year = "2018",
abstract = "A series of succinimide derivatives were studied using the cyclic and square wave voltammetry. Density function theory was used in order to determinate which of the structural parameters influence the electrochemical activity. The quantum chemical calculations of the investigated succinimides were linked with the experimental electrochemical data and used to propose the oxidation mechanism. The most active among studied succinimides is 1,3-diphenylsuccinimide. The results obtained from the cyclic and square wave voltammetry and quantum chemical calculations indicate that the investigated compounds undergo oxidation by irreversible, diffusion controlled process including transfer of 1e(-) and 1 proton. The voltammetric and DFT results signify that the mechanism of electrochemical oxidation of all compounds involve the conversion of carbonyl-methyne-phenyl segment or methylene group in free radical. This conversion proceeds by the loss of one proton one electron process.",
publisher = "Electrochemical Science Group, Beograd",
journal = "International Journal of Electrochemical Science",
title = "Voltammetric and Quantum Investigation of Selected Succinimides",
pages = "4297-4285",
number = "5",
volume = "13",
doi = "10.20964/2018.05.54"
}

Božić, B., Lović, J., Banjac, N., Vitnik, Ž., Vitnik, V., Mijin, D., Ušćumlić, G.,& Avramov-Ivić, M.. (2018). Voltammetric and Quantum Investigation of Selected Succinimides. in International Journal of Electrochemical Science
Electrochemical Science Group, Beograd., 13(5), 4285-4297.
https://doi.org/10.20964/2018.05.54

Božić B, Lović J, Banjac N, Vitnik Ž, Vitnik V, Mijin D, Ušćumlić G, Avramov-Ivić M. Voltammetric and Quantum Investigation of Selected Succinimides. in International Journal of Electrochemical Science. 2018;13(5):4285-4297.
doi:10.20964/2018.05.54 .

Božić, Bojan, Lović, Jelena, Banjac, Nebojša, Vitnik, Željko, Vitnik, Vesna, Mijin, Dušan, Ušćumlić, Gordana, Avramov-Ivić, Milka, "Voltammetric and Quantum Investigation of Selected Succinimides" in International Journal of Electrochemical Science, 13, no. 5 (2018):4285-4297,
https://doi.org/10.20964/2018.05.54 . .

TY  - JOUR
AU  - Mijin, Dušan
AU  - Božić, Bojan
AU  - Lađarević, Jelena
AU  - Matović, Luka
AU  - Ušćumlić, Gordana
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3945
AB  - Disazo pyridone dye, 4-methyl-2,6-dioxo-5-(2-(4-(phenyldiazenyl)phenyl)hydrazono)-1,2,5,6-tetrahydropyridine-3-carbonitrile, is synthesised and thoroughly characterised by a combination of experimental and computational approaches. Fourier Transform-infrared and nuclear magnetic resonance (NMR) spectra prove the existence of the hydrazone form in the solid state and in dimethyl sulphoxide, which is also supported by vibrational and NMR theoretical studies. Ultraviolet (UV) spectral properties, as well as solvatochromism in 19 solvents of different polarity, are investigated. In most of the solvents, the dye is solely present in the hydrazone form, whereas in certain solvents, an acid-base equilibrium exists. Excellent agreement between computational and experimental UV-visible data was established. Frontier Molecular Orbital analysis was performed and proved the existence of intramolecular charge transfer through the dye molecule. A molecular electrostatic potential surface was plotted over the optimised geometry to lighten the reactivity of the investigated molecule.
PB  - Wiley, Hoboken
T2  - Coloration Technology
T1  - Solvatochromism and quantum mechanical investigation of disazo pyridone dye
EP  - 490
IS  - 6
SP  - 478
VL  - 134
DO  - 10.1111/cote.12369
ER  - 

@article{
author = "Mijin, Dušan and Božić, Bojan and Lađarević, Jelena and Matović, Luka and Ušćumlić, Gordana and Vitnik, Vesna and Vitnik, Željko",
year = "2018",
abstract = "Disazo pyridone dye, 4-methyl-2,6-dioxo-5-(2-(4-(phenyldiazenyl)phenyl)hydrazono)-1,2,5,6-tetrahydropyridine-3-carbonitrile, is synthesised and thoroughly characterised by a combination of experimental and computational approaches. Fourier Transform-infrared and nuclear magnetic resonance (NMR) spectra prove the existence of the hydrazone form in the solid state and in dimethyl sulphoxide, which is also supported by vibrational and NMR theoretical studies. Ultraviolet (UV) spectral properties, as well as solvatochromism in 19 solvents of different polarity, are investigated. In most of the solvents, the dye is solely present in the hydrazone form, whereas in certain solvents, an acid-base equilibrium exists. Excellent agreement between computational and experimental UV-visible data was established. Frontier Molecular Orbital analysis was performed and proved the existence of intramolecular charge transfer through the dye molecule. A molecular electrostatic potential surface was plotted over the optimised geometry to lighten the reactivity of the investigated molecule.",
publisher = "Wiley, Hoboken",
journal = "Coloration Technology",
title = "Solvatochromism and quantum mechanical investigation of disazo pyridone dye",
pages = "490-478",
number = "6",
volume = "134",
doi = "10.1111/cote.12369"
}

Mijin, D., Božić, B., Lađarević, J., Matović, L., Ušćumlić, G., Vitnik, V.,& Vitnik, Ž.. (2018). Solvatochromism and quantum mechanical investigation of disazo pyridone dye. in Coloration Technology
Wiley, Hoboken., 134(6), 478-490.
https://doi.org/10.1111/cote.12369

Mijin D, Božić B, Lađarević J, Matović L, Ušćumlić G, Vitnik V, Vitnik Ž. Solvatochromism and quantum mechanical investigation of disazo pyridone dye. in Coloration Technology. 2018;134(6):478-490.
doi:10.1111/cote.12369 .

Mijin, Dušan, Božić, Bojan, Lađarević, Jelena, Matović, Luka, Ušćumlić, Gordana, Vitnik, Vesna, Vitnik, Željko, "Solvatochromism and quantum mechanical investigation of disazo pyridone dye" in Coloration Technology, 134, no. 6 (2018):478-490,
https://doi.org/10.1111/cote.12369 . .

TY  - JOUR
AU  - Mirković, Jelena
AU  - Božić, Bojan
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Rogan, Jelena
AU  - Poleti, Dejan
AU  - Ušćumlić, Gordana
AU  - Mijin, Dušan
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3972
AB  - Ten 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones were studied (five new compounds) to provide insight into the electronic effects of diverse substituents located at different positions in their phenyl moieties. The structural features of these dyes were examined by combining experimental and theoretical approaches. The crystal structures of two derivatives were revealed by X-ray crystallography and diverse packing modes owing to different intermolecular interactions (- stacking and lone pair- interactions, as well as hydrogen bonds) were found. A study on lattice energy and energy related to the molecular pairs obtained from their crystal packing was performed. The tautomerism and ionisation of the dyes in ethanol or N,N -dimethylformamide solution were rationalised in terms of diazo component substitution pattern.
PB  - Wiley, Hoboken
T2  - Coloration Technology
T1  - Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones
EP  - 43
IS  - 1
SP  - 33
VL  - 134
DO  - 10.1111/cote.12321
ER  - 

@article{
author = "Mirković, Jelena and Božić, Bojan and Vitnik, Vesna and Vitnik, Željko and Rogan, Jelena and Poleti, Dejan and Ušćumlić, Gordana and Mijin, Dušan",
year = "2018",
abstract = "Ten 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones were studied (five new compounds) to provide insight into the electronic effects of diverse substituents located at different positions in their phenyl moieties. The structural features of these dyes were examined by combining experimental and theoretical approaches. The crystal structures of two derivatives were revealed by X-ray crystallography and diverse packing modes owing to different intermolecular interactions (- stacking and lone pair- interactions, as well as hydrogen bonds) were found. A study on lattice energy and energy related to the molecular pairs obtained from their crystal packing was performed. The tautomerism and ionisation of the dyes in ethanol or N,N -dimethylformamide solution were rationalised in terms of diazo component substitution pattern.",
publisher = "Wiley, Hoboken",
journal = "Coloration Technology",
title = "Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones",
pages = "43-33",
number = "1",
volume = "134",
doi = "10.1111/cote.12321"
}

Mirković, J., Božić, B., Vitnik, V., Vitnik, Ž., Rogan, J., Poleti, D., Ušćumlić, G.,& Mijin, D.. (2018). Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones. in Coloration Technology
Wiley, Hoboken., 134(1), 33-43.
https://doi.org/10.1111/cote.12321

Mirković J, Božić B, Vitnik V, Vitnik Ž, Rogan J, Poleti D, Ušćumlić G, Mijin D. Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones. in Coloration Technology. 2018;134(1):33-43.
doi:10.1111/cote.12321 .

Mirković, Jelena, Božić, Bojan, Vitnik, Vesna, Vitnik, Željko, Rogan, Jelena, Poleti, Dejan, Ušćumlić, Gordana, Mijin, Dušan, "Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones" in Coloration Technology, 134, no. 1 (2018):33-43,
https://doi.org/10.1111/cote.12321 . .

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Novaković, Irena T.
AU  - Filipović, Nenad R.
AU  - Petrović, Predrag
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3957
AB  - Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.
PB  - Wiley-VCH Verlag Gmbh, Weinheim
T2  - Chemistryselect
T1  - Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models
EP  - 2221
IS  - 7
SP  - 2215
VL  - 3
DO  - 10.1002/slct.201702691
ER  - 

@article{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena T. and Filipović, Nenad R. and Petrović, Predrag and Marinković, Aleksandar and Todorović, Tamara and Cvijetić, Ilija",
year = "2018",
abstract = "Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.",
publisher = "Wiley-VCH Verlag Gmbh, Weinheim",
journal = "Chemistryselect",
title = "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models",
pages = "2221-2215",
number = "7",
volume = "3",
doi = "10.1002/slct.201702691"
}

Božić, A. R., Bjelogrlić, S. K., Novaković, I. T., Filipović, N. R., Petrović, P., Marinković, A., Todorović, T.,& Cvijetić, I.. (2018). Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. in Chemistryselect
Wiley-VCH Verlag Gmbh, Weinheim., 3(7), 2215-2221.
https://doi.org/10.1002/slct.201702691

Božić AR, Bjelogrlić SK, Novaković IT, Filipović NR, Petrović P, Marinković A, Todorović T, Cvijetić I. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. in Chemistryselect. 2018;3(7):2215-2221.
doi:10.1002/slct.201702691 .

Božić, Aleksandra R., Bjelogrlić, Snežana K., Novaković, Irena T., Filipović, Nenad R., Petrović, Predrag, Marinković, Aleksandar, Todorović, Tamara, Cvijetić, Ilija, "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models" in Chemistryselect, 3, no. 7 (2018):2215-2221,
https://doi.org/10.1002/slct.201702691 . .

TY  - JOUR
AU  - Mančić, Lidija
AU  - Đukić-Vuković, Aleksandra
AU  - Dinić, Ivana
AU  - Nikolić, Marko G.
AU  - Rabasović, Mihailo D.
AU  - Krmpot, Aleksandar
AU  - Costa, Antonio Mario Leal Martins
AU  - Marinković, Bojan A.
AU  - Mojović, Ljiljana
AU  - Milošević, Olivera
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3885
AB  - The emerging up-conversion nanoparticles (UCNPs) offer a wide range of biotechnology applications, from biomarkers and deep tissue imaging, to single molecule tracking and drug delivery. Their successful conjugation to biocompatible agents is crucial for specific molecules recognition and usually requires multiple steps which may lead to low reproducibility. Here, we report a simple and rapid one-step procedure for in situ synthesis of biocompatible amino-functionalized NaYF4:Yb,Er UCNPs that could be used for NIR-driven fluorescence cell labeling. X-ray diffraction showed that UCNPs synthesized through chitosan-assisted solvothermal processing are monophasic and crystallize in a cubic alpha phase. Scanning and transmission electron microscopy revealed that the obtained crystals are spherical in shape with a mean diameter of 120 nm. Photoluminescence spectra indicated weaker green (H-2(11/2), S-4(3/2) - gt  (4)/(15/2)) and stronger red emission (F-4(9/2) - gt  (4)/(15/2)), as a result of enhanced non-radiative (4)/(11/2) - gt  (4)/(13/2) Er3+ relaxation. The presence of chitosan groups at the surface of UCNPs was confirmed by Fourier transform infrared spectroscopy, thermogravimetry and X-ray photoelectron spectroscopy. This provides their enhanced internalization in cells, at low concentration of 10 mu g ml(-1), without suppression of cell viability after 24 h of exposure. Furthermore, upon 980 nm laser irradiation, the amino-functionalized NaYF4:Yb,Er UCNPs were successfully used in vitro for labeling of two human cell types, normal gingival and oral squamous cell carcinoma.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging
EP  - 27437
IS  - 48
SP  - 27429
VL  - 8
DO  - 10.1039/c8ra04178d
ER  - 

@article{
author = "Mančić, Lidija and Đukić-Vuković, Aleksandra and Dinić, Ivana and Nikolić, Marko G. and Rabasović, Mihailo D. and Krmpot, Aleksandar and Costa, Antonio Mario Leal Martins and Marinković, Bojan A. and Mojović, Ljiljana and Milošević, Olivera",
year = "2018",
abstract = "The emerging up-conversion nanoparticles (UCNPs) offer a wide range of biotechnology applications, from biomarkers and deep tissue imaging, to single molecule tracking and drug delivery. Their successful conjugation to biocompatible agents is crucial for specific molecules recognition and usually requires multiple steps which may lead to low reproducibility. Here, we report a simple and rapid one-step procedure for in situ synthesis of biocompatible amino-functionalized NaYF4:Yb,Er UCNPs that could be used for NIR-driven fluorescence cell labeling. X-ray diffraction showed that UCNPs synthesized through chitosan-assisted solvothermal processing are monophasic and crystallize in a cubic alpha phase. Scanning and transmission electron microscopy revealed that the obtained crystals are spherical in shape with a mean diameter of 120 nm. Photoluminescence spectra indicated weaker green (H-2(11/2), S-4(3/2) - gt  (4)/(15/2)) and stronger red emission (F-4(9/2) - gt  (4)/(15/2)), as a result of enhanced non-radiative (4)/(11/2) - gt  (4)/(13/2) Er3+ relaxation. The presence of chitosan groups at the surface of UCNPs was confirmed by Fourier transform infrared spectroscopy, thermogravimetry and X-ray photoelectron spectroscopy. This provides their enhanced internalization in cells, at low concentration of 10 mu g ml(-1), without suppression of cell viability after 24 h of exposure. Furthermore, upon 980 nm laser irradiation, the amino-functionalized NaYF4:Yb,Er UCNPs were successfully used in vitro for labeling of two human cell types, normal gingival and oral squamous cell carcinoma.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging",
pages = "27437-27429",
number = "48",
volume = "8",
doi = "10.1039/c8ra04178d"
}

Mančić, L., Đukić-Vuković, A., Dinić, I., Nikolić, M. G., Rabasović, M. D., Krmpot, A., Costa, A. M. L. M., Marinković, B. A., Mojović, L.,& Milošević, O.. (2018). One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging. in RSC Advances
Royal Society of Chemistry., 8(48), 27429-27437.
https://doi.org/10.1039/c8ra04178d

Mančić L, Đukić-Vuković A, Dinić I, Nikolić MG, Rabasović MD, Krmpot A, Costa AMLM, Marinković BA, Mojović L, Milošević O. One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging. in RSC Advances. 2018;8(48):27429-27437.
doi:10.1039/c8ra04178d .

Mančić, Lidija, Đukić-Vuković, Aleksandra, Dinić, Ivana, Nikolić, Marko G., Rabasović, Mihailo D., Krmpot, Aleksandar, Costa, Antonio Mario Leal Martins, Marinković, Bojan A., Mojović, Ljiljana, Milošević, Olivera, "One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging" in RSC Advances, 8, no. 48 (2018):27429-27437,
https://doi.org/10.1039/c8ra04178d . .

TY  - DATA
AU  - Mančić, Lidija
AU  - Đukić-Vuković, Aleksandra
AU  - Dinić, Ivana
AU  - Nikolić, Marko G.
AU  - Rabasović, Mihailo D.
AU  - Krmpot, Aleksandar
AU  - Costa, Antonio Mario Leal Martins
AU  - Marinković, Bojan A.
AU  - Mojović, Ljiljana
AU  - Milošević, Olivera
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3772
AB  - Fig. S1. TEM (a) and HRTEM (b) images of amino modified NaYF4:Yb,Er UCNPs. Corresponding FFT/IFFT given as insets in b, confirms that much smaller crystallites notable at the particles surfaces (a) revealed periodic array of cubic alpha phase, (111) plane with d value of 3.140 Å; Fig. S2. XPS spectrum of amino-functionalized NaYF4:Yb,Er UCNPs: survey spectrum and fine-scan spectra of Na 1s, Y 3d, Yb 4d, Er 4d, F 1s and decomposed ones of C 1s, O 1s and N 1s; Fig. S3. Photostability of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles. The emission intensity was traced during 1h;
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Supplementary file: Mancic, L., Djukic-Vukovic, A., Dinic, I., Nikolic, M.G., Rabasovic, M.D., Krmpot, A.J., Costa, A.M.L.M., Marinkovic, B.A., Mojovic, L., Milosevic, O., 2018. One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging. RSC Adv. 8, 27429–27437. https://doi.org/10.1039/C8RA04178D
IS  - 48
VL  - 8
UR  - https://hdl.handle.net/21.15107/rcub_dais_3785
ER  - 

@misc{
author = "Mančić, Lidija and Đukić-Vuković, Aleksandra and Dinić, Ivana and Nikolić, Marko G. and Rabasović, Mihailo D. and Krmpot, Aleksandar and Costa, Antonio Mario Leal Martins and Marinković, Bojan A. and Mojović, Ljiljana and Milošević, Olivera",
year = "2018",
abstract = "Fig. S1. TEM (a) and HRTEM (b) images of amino modified NaYF4:Yb,Er UCNPs. Corresponding FFT/IFFT given as insets in b, confirms that much smaller crystallites notable at the particles surfaces (a) revealed periodic array of cubic alpha phase, (111) plane with d value of 3.140 Å; Fig. S2. XPS spectrum of amino-functionalized NaYF4:Yb,Er UCNPs: survey spectrum and fine-scan spectra of Na 1s, Y 3d, Yb 4d, Er 4d, F 1s and decomposed ones of C 1s, O 1s and N 1s; Fig. S3. Photostability of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles. The emission intensity was traced during 1h;",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Supplementary file: Mancic, L., Djukic-Vukovic, A., Dinic, I., Nikolic, M.G., Rabasovic, M.D., Krmpot, A.J., Costa, A.M.L.M., Marinkovic, B.A., Mojovic, L., Milosevic, O., 2018. One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging. RSC Adv. 8, 27429–27437. https://doi.org/10.1039/C8RA04178D",
number = "48",
volume = "8",
url = "https://hdl.handle.net/21.15107/rcub_dais_3785"
}

Mančić, L., Đukić-Vuković, A., Dinić, I., Nikolić, M. G., Rabasović, M. D., Krmpot, A., Costa, A. M. L. M., Marinković, B. A., Mojović, L.,& Milošević, O.. (2018). Supplementary file: Mancic, L., Djukic-Vukovic, A., Dinic, I., Nikolic, M.G., Rabasovic, M.D., Krmpot, A.J., Costa, A.M.L.M., Marinkovic, B.A., Mojovic, L., Milosevic, O., 2018. One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging. RSC Adv. 8, 27429–27437. https://doi.org/10.1039/C8RA04178D. in RSC Advances
Royal Society of Chemistry., 8(48).
https://hdl.handle.net/21.15107/rcub_dais_3785

Mančić L, Đukić-Vuković A, Dinić I, Nikolić MG, Rabasović MD, Krmpot A, Costa AMLM, Marinković BA, Mojović L, Milošević O. Supplementary file: Mancic, L., Djukic-Vukovic, A., Dinic, I., Nikolic, M.G., Rabasovic, M.D., Krmpot, A.J., Costa, A.M.L.M., Marinkovic, B.A., Mojovic, L., Milosevic, O., 2018. One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging. RSC Adv. 8, 27429–27437. https://doi.org/10.1039/C8RA04178D. in RSC Advances. 2018;8(48).
https://hdl.handle.net/21.15107/rcub_dais_3785 .

Mančić, Lidija, Đukić-Vuković, Aleksandra, Dinić, Ivana, Nikolić, Marko G., Rabasović, Mihailo D., Krmpot, Aleksandar, Costa, Antonio Mario Leal Martins, Marinković, Bojan A., Mojović, Ljiljana, Milošević, Olivera, "Supplementary file: Mancic, L., Djukic-Vukovic, A., Dinic, I., Nikolic, M.G., Rabasovic, M.D., Krmpot, A.J., Costa, A.M.L.M., Marinkovic, B.A., Mojovic, L., Milosevic, O., 2018. One-step synthesis of amino-functionalized up-converting NaYF4:Yb,Er nanoparticles for in vitro cell imaging. RSC Adv. 8, 27429–27437. https://doi.org/10.1039/C8RA04178D" in RSC Advances, 8, no. 48 (2018),
https://hdl.handle.net/21.15107/rcub_dais_3785 .

TY  - DATA
AU  - Mančić, Lidija
AU  - Đukić-Vuković, Aleksandra
AU  - Dinić, Ivana
AU  - Nikolić, Marko G.
AU  - Rabasović, Mihailo D.
AU  - Krmpot, Aleksandar
AU  - Costa, Antonio Mario Leal Martins
AU  - Trišić, Dijana
AU  - Lazarević, Miloš
AU  - Mojović, Ljiljana
AU  - Milošević, Olivera B.
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3769
PB  - Elsevier Science Bv, Amsterdam
T2  - Materials Science and Engineering. C: Materials for Biological Applications
T1  - Supplementary material for the article: Mancic, L.; Djukic-Vukovic, A.; Dinic, I.; Nikolic, M. G.; Rabasovic, M. D.; Krmpot, A. J.;  Costa, A. M. L. M.; Trisic, D.; Lazarevic, M.; Mojovic, L.; et al. NIR Photo-Driven  Upconversion in NaYF 4 :Yb,Er/PLGA Particles for in Vitro Bioimaging of Cancer Cells.  Materials Science and Engineering C 2018, 91, 597–605.  https://doi.org/10.1016/j.msec.2018.05.081
UR  - https://hdl.handle.net/21.15107/rcub_dais_5978
ER  - 

@misc{
author = "Mančić, Lidija and Đukić-Vuković, Aleksandra and Dinić, Ivana and Nikolić, Marko G. and Rabasović, Mihailo D. and Krmpot, Aleksandar and Costa, Antonio Mario Leal Martins and Trišić, Dijana and Lazarević, Miloš and Mojović, Ljiljana and Milošević, Olivera B.",
year = "2018",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Materials Science and Engineering. C: Materials for Biological Applications",
title = "Supplementary material for the article: Mancic, L.; Djukic-Vukovic, A.; Dinic, I.; Nikolic, M. G.; Rabasovic, M. D.; Krmpot, A. J.;  Costa, A. M. L. M.; Trisic, D.; Lazarevic, M.; Mojovic, L.; et al. NIR Photo-Driven  Upconversion in NaYF 4 :Yb,Er/PLGA Particles for in Vitro Bioimaging of Cancer Cells.  Materials Science and Engineering C 2018, 91, 597–605.  https://doi.org/10.1016/j.msec.2018.05.081",
url = "https://hdl.handle.net/21.15107/rcub_dais_5978"
}

Mančić, L., Đukić-Vuković, A., Dinić, I., Nikolić, M. G., Rabasović, M. D., Krmpot, A., Costa, A. M. L. M., Trišić, D., Lazarević, M., Mojović, L.,& Milošević, O. B.. (2018). Supplementary material for the article: Mancic, L.; Djukic-Vukovic, A.; Dinic, I.; Nikolic, M. G.; Rabasovic, M. D.; Krmpot, A. J.;  Costa, A. M. L. M.; Trisic, D.; Lazarevic, M.; Mojovic, L.; et al. NIR Photo-Driven  Upconversion in NaYF 4 :Yb,Er/PLGA Particles for in Vitro Bioimaging of Cancer Cells.  Materials Science and Engineering C 2018, 91, 597–605.  https://doi.org/10.1016/j.msec.2018.05.081. in Materials Science and Engineering. C: Materials for Biological Applications
Elsevier Science Bv, Amsterdam..
https://hdl.handle.net/21.15107/rcub_dais_5978

Mančić L, Đukić-Vuković A, Dinić I, Nikolić MG, Rabasović MD, Krmpot A, Costa AMLM, Trišić D, Lazarević M, Mojović L, Milošević OB. Supplementary material for the article: Mancic, L.; Djukic-Vukovic, A.; Dinic, I.; Nikolic, M. G.; Rabasovic, M. D.; Krmpot, A. J.;  Costa, A. M. L. M.; Trisic, D.; Lazarevic, M.; Mojovic, L.; et al. NIR Photo-Driven  Upconversion in NaYF 4 :Yb,Er/PLGA Particles for in Vitro Bioimaging of Cancer Cells.  Materials Science and Engineering C 2018, 91, 597–605.  https://doi.org/10.1016/j.msec.2018.05.081. in Materials Science and Engineering. C: Materials for Biological Applications. 2018;.
https://hdl.handle.net/21.15107/rcub_dais_5978 .

Mančić, Lidija, Đukić-Vuković, Aleksandra, Dinić, Ivana, Nikolić, Marko G., Rabasović, Mihailo D., Krmpot, Aleksandar, Costa, Antonio Mario Leal Martins, Trišić, Dijana, Lazarević, Miloš, Mojović, Ljiljana, Milošević, Olivera B., "Supplementary material for the article: Mancic, L.; Djukic-Vukovic, A.; Dinic, I.; Nikolic, M. G.; Rabasovic, M. D.; Krmpot, A. J.;  Costa, A. M. L. M.; Trisic, D.; Lazarevic, M.; Mojovic, L.; et al. NIR Photo-Driven  Upconversion in NaYF 4 :Yb,Er/PLGA Particles for in Vitro Bioimaging of Cancer Cells.  Materials Science and Engineering C 2018, 91, 597–605.  https://doi.org/10.1016/j.msec.2018.05.081" in Materials Science and Engineering. C: Materials for Biological Applications (2018),
https://hdl.handle.net/21.15107/rcub_dais_5978 .

TY  - JOUR
AU  - Mančić, Lidija
AU  - Đukić-Vuković, Aleksandra
AU  - Dinić, Ivana
AU  - Nikolić, Marko G.
AU  - Rabasović, Mihailo D.
AU  - Krmpot, Aleksandar
AU  - Costa, Antonio Mario Leal Martins
AU  - Trišić, Dijana
AU  - Lazarević, Miloš
AU  - Mojović, Ljiljana
AU  - Milošević, Olivera
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3852
AB  - Lanthanide-doped fluoride up-converting nanoparticles (UCNPs) represent the new class of imaging contrast agents which hold great potential for overcoming existing problems associated with traditionally used dyes, proteins and quantum dots. In this study, a new kind of hybrid NaYF4:Yb,Er/PLGA nanoparticles for efficient biolabeling were prepared through one-pot solvothermal synthesis route. Morphological and structural characteristics of the as-designed particles were obtained using X-ray powder diffraction (XRPD), scanning and transmission electron microscopy (SEM/TEM), energy dispersive spectroscopy (EDS), Fourier transform infrared (FTIR) and photoluminescence (PL) spectroscopy, while their cytotoxicity as well as up-conversion (UC) labeling capability were tested in vitro toward human gingival cells (HGC) and oral squamous cell carcinoma (OSCC). The results revealed coexistence of the cubic (Fm-3m) and hexagonal (P6(3)/m) phase in spherical and irregularly shaped nanoparticles, respectively. PLGA [Poly(lactic-co-glycolic acid)] ligands attached at the surface of UCNPs particles provide their enhanced cellular uptake and enable high-quality cells imaging through a near-infrared (NIR) laser scanning microscopy (lambda(ex) = 980 nm). Moreover, the fact that NaYF4:Yb,Er/PLGA UCNPs show low cytotoxicity against HGC over the whole concentration range (10-50 mu g/mL) while a dose dependent viability of OSCC is obtained indicates that these might be a promising candidates for targeted cancer cell therapy.
PB  - Elsevier Science Bv, Amsterdam
T2  - Materials Science & Engineering C-Materials for Biological Applications
T1  - NIR photo-driven upconversion in NaYF4:Yb,Er/PLGA particles for in vitro bioimaging of cancer cells
EP  - 605
SP  - 597
VL  - 91
DO  - 10.1016/j.msec.2018.05.081
ER  - 

@article{
author = "Mančić, Lidija and Đukić-Vuković, Aleksandra and Dinić, Ivana and Nikolić, Marko G. and Rabasović, Mihailo D. and Krmpot, Aleksandar and Costa, Antonio Mario Leal Martins and Trišić, Dijana and Lazarević, Miloš and Mojović, Ljiljana and Milošević, Olivera",
year = "2018",
abstract = "Lanthanide-doped fluoride up-converting nanoparticles (UCNPs) represent the new class of imaging contrast agents which hold great potential for overcoming existing problems associated with traditionally used dyes, proteins and quantum dots. In this study, a new kind of hybrid NaYF4:Yb,Er/PLGA nanoparticles for efficient biolabeling were prepared through one-pot solvothermal synthesis route. Morphological and structural characteristics of the as-designed particles were obtained using X-ray powder diffraction (XRPD), scanning and transmission electron microscopy (SEM/TEM), energy dispersive spectroscopy (EDS), Fourier transform infrared (FTIR) and photoluminescence (PL) spectroscopy, while their cytotoxicity as well as up-conversion (UC) labeling capability were tested in vitro toward human gingival cells (HGC) and oral squamous cell carcinoma (OSCC). The results revealed coexistence of the cubic (Fm-3m) and hexagonal (P6(3)/m) phase in spherical and irregularly shaped nanoparticles, respectively. PLGA [Poly(lactic-co-glycolic acid)] ligands attached at the surface of UCNPs particles provide their enhanced cellular uptake and enable high-quality cells imaging through a near-infrared (NIR) laser scanning microscopy (lambda(ex) = 980 nm). Moreover, the fact that NaYF4:Yb,Er/PLGA UCNPs show low cytotoxicity against HGC over the whole concentration range (10-50 mu g/mL) while a dose dependent viability of OSCC is obtained indicates that these might be a promising candidates for targeted cancer cell therapy.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Materials Science & Engineering C-Materials for Biological Applications",
title = "NIR photo-driven upconversion in NaYF4:Yb,Er/PLGA particles for in vitro bioimaging of cancer cells",
pages = "605-597",
volume = "91",
doi = "10.1016/j.msec.2018.05.081"
}

Mančić, L., Đukić-Vuković, A., Dinić, I., Nikolić, M. G., Rabasović, M. D., Krmpot, A., Costa, A. M. L. M., Trišić, D., Lazarević, M., Mojović, L.,& Milošević, O.. (2018). NIR photo-driven upconversion in NaYF4:Yb,Er/PLGA particles for in vitro bioimaging of cancer cells. in Materials Science & Engineering C-Materials for Biological Applications
Elsevier Science Bv, Amsterdam., 91, 597-605.
https://doi.org/10.1016/j.msec.2018.05.081

Mančić L, Đukić-Vuković A, Dinić I, Nikolić MG, Rabasović MD, Krmpot A, Costa AMLM, Trišić D, Lazarević M, Mojović L, Milošević O. NIR photo-driven upconversion in NaYF4:Yb,Er/PLGA particles for in vitro bioimaging of cancer cells. in Materials Science & Engineering C-Materials for Biological Applications. 2018;91:597-605.
doi:10.1016/j.msec.2018.05.081 .

Mančić, Lidija, Đukić-Vuković, Aleksandra, Dinić, Ivana, Nikolić, Marko G., Rabasović, Mihailo D., Krmpot, Aleksandar, Costa, Antonio Mario Leal Martins, Trišić, Dijana, Lazarević, Miloš, Mojović, Ljiljana, Milošević, Olivera, "NIR photo-driven upconversion in NaYF4:Yb,Er/PLGA particles for in vitro bioimaging of cancer cells" in Materials Science & Engineering C-Materials for Biological Applications, 91 (2018):597-605,
https://doi.org/10.1016/j.msec.2018.05.081 . .

TY  - CONF
AU  - Mančić, Lidija
AU  - Nikolić, Marko G.
AU  - Rabasović, Mihailo D.
AU  - Milošević, Olivera B.
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3768
AB  - There is a growing interest for development of a facile and reproducible approach  for the synthesis of biocompatible lanthanide doped up-converting nanoparticles (UCNPs) for deep tissue imaging and targeted drug delivery. Synthesis of such particles is usually performed through the decomposition of organometallic compounds, followed either with a ligands exchange or with a biocompatible layer coating. In this work, biocompatible NaYF4:Yb,Er (17 mol% Yb; 3 mol% Er) nanoparticles were synthesized by one-pot hydrothermal processing with an assistance of chitosan (Ch) or polyacrylic acid (PAA). Obtained powders were analyzed by X-ray powder diffraction (XRPD, Bruker D8 Discovery), field emission scanning electron microscopy (FE-SEM, Zeiss, DSM 960), transmission electron microscopy (TEM, JEOL JEM 2010), Fourier transform infrared (FTIR, Thermo Scientific Nicolet 6700) and photoluminescence (PL, Spex Fluorolog with C31034 cooled photomultiplier) spectroscopy. The results showed that although both powders crystallize in the same crystal arrangement (cubic, Fm-3m), particles size, shape and optical properties are dependent on the polymer used.
PB  - Belgrade : Serbian Academy of Sciences and Arts
C3  - Program and Book of Abstracts / First International Conference on Electron Microscopy of Nanostructu
T1  - Polyacrilic Acid and Chitosan Assisted Solvothermal Synthesis of Up-converting NaYF4: Yb,Er Particles
EP  - 197
SP  - 195
UR  - https://hdl.handle.net/21.15107/rcub_technorep_3768
ER  - 

@conference{
author = "Mančić, Lidija and Nikolić, Marko G. and Rabasović, Mihailo D. and Milošević, Olivera B.",
year = "2018",
abstract = "There is a growing interest for development of a facile and reproducible approach  for the synthesis of biocompatible lanthanide doped up-converting nanoparticles (UCNPs) for deep tissue imaging and targeted drug delivery. Synthesis of such particles is usually performed through the decomposition of organometallic compounds, followed either with a ligands exchange or with a biocompatible layer coating. In this work, biocompatible NaYF4:Yb,Er (17 mol% Yb; 3 mol% Er) nanoparticles were synthesized by one-pot hydrothermal processing with an assistance of chitosan (Ch) or polyacrylic acid (PAA). Obtained powders were analyzed by X-ray powder diffraction (XRPD, Bruker D8 Discovery), field emission scanning electron microscopy (FE-SEM, Zeiss, DSM 960), transmission electron microscopy (TEM, JEOL JEM 2010), Fourier transform infrared (FTIR, Thermo Scientific Nicolet 6700) and photoluminescence (PL, Spex Fluorolog with C31034 cooled photomultiplier) spectroscopy. The results showed that although both powders crystallize in the same crystal arrangement (cubic, Fm-3m), particles size, shape and optical properties are dependent on the polymer used.",
publisher = "Belgrade : Serbian Academy of Sciences and Arts",
journal = "Program and Book of Abstracts / First International Conference on Electron Microscopy of Nanostructu",
title = "Polyacrilic Acid and Chitosan Assisted Solvothermal Synthesis of Up-converting NaYF4: Yb,Er Particles",
pages = "197-195",
url = "https://hdl.handle.net/21.15107/rcub_technorep_3768"
}

Mančić, L., Nikolić, M. G., Rabasović, M. D.,& Milošević, O. B.. (2018). Polyacrilic Acid and Chitosan Assisted Solvothermal Synthesis of Up-converting NaYF4: Yb,Er Particles. in Program and Book of Abstracts / First International Conference on Electron Microscopy of Nanostructu
Belgrade : Serbian Academy of Sciences and Arts., 195-197.
https://hdl.handle.net/21.15107/rcub_technorep_3768

Mančić L, Nikolić MG, Rabasović MD, Milošević OB. Polyacrilic Acid and Chitosan Assisted Solvothermal Synthesis of Up-converting NaYF4: Yb,Er Particles. in Program and Book of Abstracts / First International Conference on Electron Microscopy of Nanostructu. 2018;:195-197.
https://hdl.handle.net/21.15107/rcub_technorep_3768 .

Mančić, Lidija, Nikolić, Marko G., Rabasović, Mihailo D., Milošević, Olivera B., "Polyacrilic Acid and Chitosan Assisted Solvothermal Synthesis of Up-converting NaYF4: Yb,Er Particles" in Program and Book of Abstracts / First International Conference on Electron Microscopy of Nanostructu (2018):195-197,
https://hdl.handle.net/21.15107/rcub_technorep_3768 .

TY  - JOUR
AU  - Lazić, Anita M.
AU  - Božić, Bojan Ð.
AU  - Vitnik, Vesna D.
AU  - Vitnik, Željko J.
AU  - Rogan, Jelena R.
AU  - Radovanović, Lidija D.
AU  - Valentić, Nataša V.
AU  - Ušćumlić, Gordana S.
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3658
AB  - The structure-property relationship of newly synthesized 3-(4-substituted benzyl)-1,3-diazaspiro [4.4] nonane-2,4-diones was studied by experimental and calculated methods. The prepared compounds were characterized by UV-Vis, FT-IR, H-1 NMR and C-13 NMR spectroscopy and elemental analysis. The crystal structure was elucidated by single-crystal X-ray diffraction. The 3-benzy1-1,3-diazaspiro[4.41nonane-2,4-dione crystallizes in triclinic P-1 space group, with two crystallographically independent molecules in the asymmetric unit. Cyclopentane ring adopts an envelope conformation. A three-dimensional crystal packing is governed by hydrogen N-H center dot center dot center dot O bonds, numerous C-H center dot center dot center dot O/N and C-H center dot center dot center dot pi interactions between neighboring molecules. Density functional theory (DFT) calculations with B3LYP and M06-2X methods using 6-311++G(d,p) basis set were performed to provide structural and spectroscopic information. Comparisons between experimental and calculated UV-Vis spectral properties suggest that the monomeric form of the investigated spirohydantoins is dominant in all used solvents. The effects of substituents on the absorption spectra of spirohydantoins are interpreted by correlation of absorption frequencies with Hammett equation. The lipophilicities of the investigated molecules were estimated by calculation of their log P values. Some of the spirohydantoins synthesized in this work, exhibit the lipophilicities comparable to the standard medicine anticonvulsant drug Phenytoin. The results obtained in this investigation afford guidelines for the preparation of new derivatives of spirohydantoin as potential anticonvulsant agents and for better understanding the structure-activity relationship.
PB  - Elsevier B.V.
T2  - Journal of Molecular Structure
T1  - Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study
EP  - 98
SP  - 88
VL  - 1127
DO  - 10.1016/j.molstruc.2016.07.069
ER  - 

@article{
author = "Lazić, Anita M. and Božić, Bojan Ð. and Vitnik, Vesna D. and Vitnik, Željko J. and Rogan, Jelena R. and Radovanović, Lidija D. and Valentić, Nataša V. and Ušćumlić, Gordana S.",
year = "2017",
abstract = "The structure-property relationship of newly synthesized 3-(4-substituted benzyl)-1,3-diazaspiro [4.4] nonane-2,4-diones was studied by experimental and calculated methods. The prepared compounds were characterized by UV-Vis, FT-IR, H-1 NMR and C-13 NMR spectroscopy and elemental analysis. The crystal structure was elucidated by single-crystal X-ray diffraction. The 3-benzy1-1,3-diazaspiro[4.41nonane-2,4-dione crystallizes in triclinic P-1 space group, with two crystallographically independent molecules in the asymmetric unit. Cyclopentane ring adopts an envelope conformation. A three-dimensional crystal packing is governed by hydrogen N-H center dot center dot center dot O bonds, numerous C-H center dot center dot center dot O/N and C-H center dot center dot center dot pi interactions between neighboring molecules. Density functional theory (DFT) calculations with B3LYP and M06-2X methods using 6-311++G(d,p) basis set were performed to provide structural and spectroscopic information. Comparisons between experimental and calculated UV-Vis spectral properties suggest that the monomeric form of the investigated spirohydantoins is dominant in all used solvents. The effects of substituents on the absorption spectra of spirohydantoins are interpreted by correlation of absorption frequencies with Hammett equation. The lipophilicities of the investigated molecules were estimated by calculation of their log P values. Some of the spirohydantoins synthesized in this work, exhibit the lipophilicities comparable to the standard medicine anticonvulsant drug Phenytoin. The results obtained in this investigation afford guidelines for the preparation of new derivatives of spirohydantoin as potential anticonvulsant agents and for better understanding the structure-activity relationship.",
publisher = "Elsevier B.V.",
journal = "Journal of Molecular Structure",
title = "Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study",
pages = "98-88",
volume = "1127",
doi = "10.1016/j.molstruc.2016.07.069"
}

Lazić, A. M., Božić, B. Ð., Vitnik, V. D., Vitnik, Ž. J., Rogan, J. R., Radovanović, L. D., Valentić, N. V.,& Ušćumlić, G. S.. (2017). Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study. in Journal of Molecular Structure
Elsevier B.V.., 1127, 88-98.
https://doi.org/10.1016/j.molstruc.2016.07.069

Lazić AM, Božić BÐ, Vitnik VD, Vitnik ŽJ, Rogan JR, Radovanović LD, Valentić NV, Ušćumlić GS. Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study. in Journal of Molecular Structure. 2017;1127:88-98.
doi:10.1016/j.molstruc.2016.07.069 .

Lazić, Anita M., Božić, Bojan Ð., Vitnik, Vesna D., Vitnik, Željko J., Rogan, Jelena R., Radovanović, Lidija D., Valentić, Nataša V., Ušćumlić, Gordana S., "Structure-property relationship of 3-(4-substituted benzyl)-1,3-diazaspiro[4.4]nonane-2,4-diones as new potentional anticonvulsant agents. An experimental and theoretical study" in Journal of Molecular Structure, 1127 (2017):88-98,
https://doi.org/10.1016/j.molstruc.2016.07.069 . .

TY  - JOUR
AU  - Banjac, Nebojša
AU  - Božić, Bojan
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3663
AB  - A series of ten 1-aryl-3-methylsuccinimides was synthesized and their solvatochromic properties were studied in a set of fifteen binary solvent mixtures. The solute-solvent interactions were analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The electronic effect of the substituents on the UV-Vis absorption and NMR spectra was analyzed using the simple Hammett equation. Moreover, the B3LYP, CAM-B3LYP, and M06-2X functionals using the 6-311G(d,p) basic set have been assessed in light of the position of experimental absorption maxima obtained for these compounds. The integration grid effects have also been evaluated. An interpretation of the substituent-effect transmission through the molecular skeleton and the nature of the HOMO and LUMO orbitals based on quantum-chemical calculations is given. The values of partial atomic charges from the atomic polar tenzors (APT), natural population analysis (NBO), and charges fit to the electrostatic potential using the B3LYP, CAM-B3LYP, and M06-2X methods are produced and correlated with different experimental properties. In order to estimate the chemical activity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of 1-phenyl-3-methylsuccinimide.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides
EP  - 282
SP  - 271
VL  - 1129
DO  - 10.1016/j.molstruc.2016.09.086
ER  - 

@article{
author = "Banjac, Nebojša and Božić, Bojan and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Valentić, Nataša and Ušćumlić, Gordana",
year = "2017",
abstract = "A series of ten 1-aryl-3-methylsuccinimides was synthesized and their solvatochromic properties were studied in a set of fifteen binary solvent mixtures. The solute-solvent interactions were analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The electronic effect of the substituents on the UV-Vis absorption and NMR spectra was analyzed using the simple Hammett equation. Moreover, the B3LYP, CAM-B3LYP, and M06-2X functionals using the 6-311G(d,p) basic set have been assessed in light of the position of experimental absorption maxima obtained for these compounds. The integration grid effects have also been evaluated. An interpretation of the substituent-effect transmission through the molecular skeleton and the nature of the HOMO and LUMO orbitals based on quantum-chemical calculations is given. The values of partial atomic charges from the atomic polar tenzors (APT), natural population analysis (NBO), and charges fit to the electrostatic potential using the B3LYP, CAM-B3LYP, and M06-2X methods are produced and correlated with different experimental properties. In order to estimate the chemical activity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of 1-phenyl-3-methylsuccinimide.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides",
pages = "282-271",
volume = "1129",
doi = "10.1016/j.molstruc.2016.09.086"
}

Banjac, N., Božić, B., Lađarević, J., Vitnik, V., Vitnik, Ž., Valentić, N.,& Ušćumlić, G.. (2017). Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 1129, 271-282.
https://doi.org/10.1016/j.molstruc.2016.09.086

Banjac N, Božić B, Lađarević J, Vitnik V, Vitnik Ž, Valentić N, Ušćumlić G. Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides. in Journal of Molecular Structure. 2017;1129:271-282.
doi:10.1016/j.molstruc.2016.09.086 .

Banjac, Nebojša, Božić, Bojan, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Valentić, Nataša, Ušćumlić, Gordana, "Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides" in Journal of Molecular Structure, 1129 (2017):271-282,
https://doi.org/10.1016/j.molstruc.2016.09.086 . .

TY  - JOUR
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Božić, Bojan
AU  - Valentić, Nataša
AU  - Dilber, Sanda P.
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3746
AB  - In this paper, spectroscopic and quantum mechanical investigation of nine 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes was performed, and obtained density functional theory (DFT) results were compared with experimental data. The structural and spectroscopic properties of azo-2-pyridone dyes were studied by DFT using B3LYP, CAM-B3LYP, and M06-2X methods with a 6-311++G(d,p) basis set. Comparison of results reveals that the scaled theoretical vibrational frequencies of azo dyes are in good agreement with experimental data. The time-dependent DFT calculated and experimental ultraviolet-visible (UV-vis) absorption spectra are also in good agreement. The effect of electron-donating -OCH3 and electron-withdrawing -NO2 groups on the structural parameters, vibrational frequencies, UV-vis absorption, and natural bond orbital (NBO) atomic charges were thoroughly analysed. Vibrational, UV-vis, and NBO analyses confirm that investigated dyes exist in the hydrazo tautomeric form in the solid state and ethanol solution. These analyses signify the occurrence of intramolecular charge transfer in these azo-pyridone dyes.
PB  - Wiley, Hoboken
T2  - Coloration Technology
T1  - Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes
EP  - 233
IS  - 3
SP  - 223
VL  - 133
DO  - 10.1111/cote.12271
ER  - 

@article{
author = "Vitnik, Vesna and Vitnik, Željko and Božić, Bojan and Valentić, Nataša and Dilber, Sanda P. and Mijin, Dušan and Ušćumlić, Gordana",
year = "2017",
abstract = "In this paper, spectroscopic and quantum mechanical investigation of nine 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes was performed, and obtained density functional theory (DFT) results were compared with experimental data. The structural and spectroscopic properties of azo-2-pyridone dyes were studied by DFT using B3LYP, CAM-B3LYP, and M06-2X methods with a 6-311++G(d,p) basis set. Comparison of results reveals that the scaled theoretical vibrational frequencies of azo dyes are in good agreement with experimental data. The time-dependent DFT calculated and experimental ultraviolet-visible (UV-vis) absorption spectra are also in good agreement. The effect of electron-donating -OCH3 and electron-withdrawing -NO2 groups on the structural parameters, vibrational frequencies, UV-vis absorption, and natural bond orbital (NBO) atomic charges were thoroughly analysed. Vibrational, UV-vis, and NBO analyses confirm that investigated dyes exist in the hydrazo tautomeric form in the solid state and ethanol solution. These analyses signify the occurrence of intramolecular charge transfer in these azo-pyridone dyes.",
publisher = "Wiley, Hoboken",
journal = "Coloration Technology",
title = "Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes",
pages = "233-223",
number = "3",
volume = "133",
doi = "10.1111/cote.12271"
}

Vitnik, V., Vitnik, Ž., Božić, B., Valentić, N., Dilber, S. P., Mijin, D.,& Ušćumlić, G.. (2017). Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes. in Coloration Technology
Wiley, Hoboken., 133(3), 223-233.
https://doi.org/10.1111/cote.12271

Vitnik V, Vitnik Ž, Božić B, Valentić N, Dilber SP, Mijin D, Ušćumlić G. Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes. in Coloration Technology. 2017;133(3):223-233.
doi:10.1111/cote.12271 .

Vitnik, Vesna, Vitnik, Željko, Božić, Bojan, Valentić, Nataša, Dilber, Sanda P., Mijin, Dušan, Ušćumlić, Gordana, "Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes" in Coloration Technology, 133, no. 3 (2017):223-233,
https://doi.org/10.1111/cote.12271 . .

TY  - JOUR
AU  - Lazić, Anita
AU  - Trišović, Nemanja
AU  - Radovanović, Lidija
AU  - Rogan, Jelena
AU  - Poleti, Dejan
AU  - Vitnik, Željko
AU  - Vitnik, Vesna
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3698
AB  - A series of cycloalkane-5-spirohydantoins bearing a halogeno substituted benzyl group (X = Cl and Br) in position 3 has been synthesized and their structures (1-6) have been determined by a single crystal X-ray diffraction method. These compounds have multiple functional groups, which allow greater competition and/ or cooperation among the different intermolecular interactions in the formation of their crystal structures. The molecules are linked together by paired N-H... O hydrogen bonds in R22(8) rings, while the CH. O interactions lead to their further association into double chains. The contribution of the cycloalkyl ring depends on its conformational flexibility and the multiple C-H donor implications. In the case of compounds 1-4 bearing the cyclopentyl or the cyclohexyl ring, halogen bonding (X...O) interactions give rise to a supramolecular pseudo-hexagonal network. In addition, the C-H... X interactions with a higher degree of multifurcation at the halogen acceptor have an important role in the formation of the crystal structure. Regarding compounds 5 and 6 with the cycloheptane ring, the X. O interaction is absent, and along with the C-H. X interactions, these compounds realize an alternative crystal structure with an emphasis on the X. p interactions. The lattice energies of all these crystal structures, as well as the intermolecular pair energies, have been calculated using PIXEL and further partitioned into coulombic, dispersive, polarization and repulsive factors. The crystal structures have also been subjected to Hirshfeld surface analysis which reveals that approximately 75% of the close contacts correspond to relatively weak interactions. The application of both concepts has provided a new insight into the relationship between the molecular interactions and crystal structures of the hydantoin derivatives.
PB  - Royal Society of Chemistry
T2  - CrystEngComm
T1  - Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety
EP  - 483
IS  - 3
SP  - 469
VL  - 19
DO  - 10.1039/c6ce02210c
ER  - 

@article{
author = "Lazić, Anita and Trišović, Nemanja and Radovanović, Lidija and Rogan, Jelena and Poleti, Dejan and Vitnik, Željko and Vitnik, Vesna and Ušćumlić, Gordana",
year = "2017",
abstract = "A series of cycloalkane-5-spirohydantoins bearing a halogeno substituted benzyl group (X = Cl and Br) in position 3 has been synthesized and their structures (1-6) have been determined by a single crystal X-ray diffraction method. These compounds have multiple functional groups, which allow greater competition and/ or cooperation among the different intermolecular interactions in the formation of their crystal structures. The molecules are linked together by paired N-H... O hydrogen bonds in R22(8) rings, while the CH. O interactions lead to their further association into double chains. The contribution of the cycloalkyl ring depends on its conformational flexibility and the multiple C-H donor implications. In the case of compounds 1-4 bearing the cyclopentyl or the cyclohexyl ring, halogen bonding (X...O) interactions give rise to a supramolecular pseudo-hexagonal network. In addition, the C-H... X interactions with a higher degree of multifurcation at the halogen acceptor have an important role in the formation of the crystal structure. Regarding compounds 5 and 6 with the cycloheptane ring, the X. O interaction is absent, and along with the C-H. X interactions, these compounds realize an alternative crystal structure with an emphasis on the X. p interactions. The lattice energies of all these crystal structures, as well as the intermolecular pair energies, have been calculated using PIXEL and further partitioned into coulombic, dispersive, polarization and repulsive factors. The crystal structures have also been subjected to Hirshfeld surface analysis which reveals that approximately 75% of the close contacts correspond to relatively weak interactions. The application of both concepts has provided a new insight into the relationship between the molecular interactions and crystal structures of the hydantoin derivatives.",
publisher = "Royal Society of Chemistry",
journal = "CrystEngComm",
title = "Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety",
pages = "483-469",
number = "3",
volume = "19",
doi = "10.1039/c6ce02210c"
}

Lazić, A., Trišović, N., Radovanović, L., Rogan, J., Poleti, D., Vitnik, Ž., Vitnik, V.,& Ušćumlić, G.. (2017). Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety. in CrystEngComm
Royal Society of Chemistry., 19(3), 469-483.
https://doi.org/10.1039/c6ce02210c

Lazić A, Trišović N, Radovanović L, Rogan J, Poleti D, Vitnik Ž, Vitnik V, Ušćumlić G. Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety. in CrystEngComm. 2017;19(3):469-483.
doi:10.1039/c6ce02210c .

Lazić, Anita, Trišović, Nemanja, Radovanović, Lidija, Rogan, Jelena, Poleti, Dejan, Vitnik, Željko, Vitnik, Vesna, Ušćumlić, Gordana, "Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety" in CrystEngComm, 19, no. 3 (2017):469-483,
https://doi.org/10.1039/c6ce02210c . .

TY  - CONF
AU  - Mančić, Lidija
AU  - Đukić-Vuković, Aleksandra
AU  - Mojović, Ljiljana
AU  - Rabasović, Mihailo D.
AU  - Krmpot, Aleksandar
AU  - Dinić, Ivana
AU  - Costa, Antonio Mario Leal Martins
AU  - Milošević, Olivera
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3488
AB  - For such purpose, Ln-UCNPs should have specific morphological characteristics and efficient luminescence response. In this work, a biocompatible and water dispersible NaYF4:Yb,Er"PLGA nanoparticles synthesized using a one-step hydrothermal synthesis were tested as fluorescent bio-labels of primary cell cultures obtained after passage of head and neck squamous carcinoma cells (HNSCC). Structural, morphological and optical properties of particles were obtained using X-ray powder diffraction (XRPD), field emission scanning and transmission electron microscopy (FESEM/TEM), energy dispersive X-ray (EDX), Fourier transform infrared (FTIR) and photoluminescence (PL) spectroscopy. The results revealed coexistence of the cubic (Fm-3m) and hexagonal (P63/m) phase in spherical and irregularly shaped nanoparticles, respectively. Moreover, preservation of the PLGA ligands at the particles surface facilitates their interactions with the cell membrane and provides permeation into cells. To asses a biological safety of their use, viability of human gingival fibroblasts (HFG) was additionally evaluated by a colorimetric MTT assay.
PB  - Belgrade : Serbian Ceramic Society
C3  - Program and the Book of Abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Applica
T1  - In-vitro visualization of primary tumor cells using up-conversion nanophosphors
EP  - 59
SP  - 59
UR  - https://hdl.handle.net/21.15107/rcub_technorep_3488
ER  - 

@conference{
author = "Mančić, Lidija and Đukić-Vuković, Aleksandra and Mojović, Ljiljana and Rabasović, Mihailo D. and Krmpot, Aleksandar and Dinić, Ivana and Costa, Antonio Mario Leal Martins and Milošević, Olivera",
year = "2017",
abstract = "For such purpose, Ln-UCNPs should have specific morphological characteristics and efficient luminescence response. In this work, a biocompatible and water dispersible NaYF4:Yb,Er"PLGA nanoparticles synthesized using a one-step hydrothermal synthesis were tested as fluorescent bio-labels of primary cell cultures obtained after passage of head and neck squamous carcinoma cells (HNSCC). Structural, morphological and optical properties of particles were obtained using X-ray powder diffraction (XRPD), field emission scanning and transmission electron microscopy (FESEM/TEM), energy dispersive X-ray (EDX), Fourier transform infrared (FTIR) and photoluminescence (PL) spectroscopy. The results revealed coexistence of the cubic (Fm-3m) and hexagonal (P63/m) phase in spherical and irregularly shaped nanoparticles, respectively. Moreover, preservation of the PLGA ligands at the particles surface facilitates their interactions with the cell membrane and provides permeation into cells. To asses a biological safety of their use, viability of human gingival fibroblasts (HFG) was additionally evaluated by a colorimetric MTT assay.",
publisher = "Belgrade : Serbian Ceramic Society",
journal = "Program and the Book of Abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Applica",
title = "In-vitro visualization of primary tumor cells using up-conversion nanophosphors",
pages = "59-59",
url = "https://hdl.handle.net/21.15107/rcub_technorep_3488"
}

Mančić, L., Đukić-Vuković, A., Mojović, L., Rabasović, M. D., Krmpot, A., Dinić, I., Costa, A. M. L. M.,& Milošević, O.. (2017). In-vitro visualization of primary tumor cells using up-conversion nanophosphors. in Program and the Book of Abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Applica
Belgrade : Serbian Ceramic Society., 59-59.
https://hdl.handle.net/21.15107/rcub_technorep_3488

Mančić L, Đukić-Vuković A, Mojović L, Rabasović MD, Krmpot A, Dinić I, Costa AMLM, Milošević O. In-vitro visualization of primary tumor cells using up-conversion nanophosphors. in Program and the Book of Abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Applica. 2017;:59-59.
https://hdl.handle.net/21.15107/rcub_technorep_3488 .

Mančić, Lidija, Đukić-Vuković, Aleksandra, Mojović, Ljiljana, Rabasović, Mihailo D., Krmpot, Aleksandar, Dinić, Ivana, Costa, Antonio Mario Leal Martins, Milošević, Olivera, "In-vitro visualization of primary tumor cells using up-conversion nanophosphors" in Program and the Book of Abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Applica (2017):59-59,
https://hdl.handle.net/21.15107/rcub_technorep_3488 .

TY  - JOUR
AU  - Arsovski, Violeta M
AU  - Božić, Bojan
AU  - Lađarević, Jelena
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Petrović, Slobodan
AU  - Ušćumlić, Gordana
AU  - Mijin, Dušan
PY  - 2015
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3149
AB  - To complement a previous UV study, we present a quantitative evaluation of substituent effects on spectroscopic data (H-1 and C-13 NMR chemical shifts as well as FT-IR absorption frequency) applied to N, N'-bisarylmalonamides, using simple and extended Hammett equations as well as the Swain-Lupton equation. Furthermore, the DFT CAM-B3LYP/6-311+G(d,p) method was applied to study the impact of different solvents on the geometry of the molecules and their spectral data. Additionally, experimental data are correlated with theoretical results; excellent linear dependence was obtained. The overall results presented in this paper show that N, N'-bisarylmalonamides are prominent candidates for model molecules.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)
IS  - 9
VL  - 21
DO  - 10.1007/s00894-015-2777-z
ER  - 

@article{
author = "Arsovski, Violeta M and Božić, Bojan and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Petrović, Slobodan and Ušćumlić, Gordana and Mijin, Dušan",
year = "2015",
abstract = "To complement a previous UV study, we present a quantitative evaluation of substituent effects on spectroscopic data (H-1 and C-13 NMR chemical shifts as well as FT-IR absorption frequency) applied to N, N'-bisarylmalonamides, using simple and extended Hammett equations as well as the Swain-Lupton equation. Furthermore, the DFT CAM-B3LYP/6-311+G(d,p) method was applied to study the impact of different solvents on the geometry of the molecules and their spectral data. Additionally, experimental data are correlated with theoretical results; excellent linear dependence was obtained. The overall results presented in this paper show that N, N'-bisarylmalonamides are prominent candidates for model molecules.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)",
number = "9",
volume = "21",
doi = "10.1007/s00894-015-2777-z"
}

Arsovski, V. M., Božić, B., Lađarević, J., Vitnik, V., Vitnik, Ž., Petrović, S., Ušćumlić, G.,& Mijin, D.. (2015). Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II). in Journal of Molecular Modeling
Springer, New York., 21(9).
https://doi.org/10.1007/s00894-015-2777-z

Arsovski VM, Božić B, Lađarević J, Vitnik V, Vitnik Ž, Petrović S, Ušćumlić G, Mijin D. Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II). in Journal of Molecular Modeling. 2015;21(9).
doi:10.1007/s00894-015-2777-z .

Arsovski, Violeta M, Božić, Bojan, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Petrović, Slobodan, Ušćumlić, Gordana, Mijin, Dušan, "Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)" in Journal of Molecular Modeling, 21, no. 9 (2015),
https://doi.org/10.1007/s00894-015-2777-z . .