TY  - JOUR
AU  - Milinčić, Danijel D.
AU  - Kostić, Aleksandar Ž.
AU  - Kolašinac, Stefan
AU  - Rac, Vladislav
AU  - Banjac, Nebojša
AU  - Lađarević, Jelena
AU  - Lević, Steva
AU  - Pavlović, Vladimir B.
AU  - Stanojević, Slađana P.
AU  - Nedović, Viktor A.
AU  - Pešić, Mirjana B.
PY  - 2024
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6650
AB  - This study aimed to evaluate the physical (particle size and ζ-potential) and techno-functional properties (emulsifying and foaming) of goat milk powders enriched with grape pomace seed extract (TME), as promising food ingredients in the formulation of functional food. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) and Raman spectroscopies, along with advanced chemometric tools were employed as well as Scanning Electron Microscopy (SEM) for analyzing TME powders. All powders exhibited a unimodal particle size distribution and ζ-potential values more negative than −36 mV. ATR-FTIR and Raman spectroscopies combined with principal component analysis (PCA) demonstrated distinct separation among skimmed goat milk (M), thermally treated skimmed goat milk (TM), and TME powders in different spectral regions (amide I, II, III, and fingerprint region). This separation resulted from the applied thermal treatment, the presence of phenolic compounds and their complexes with goat milk proteins, and the formation of Maillard reaction products. SEM analysis confirmed the different morphology and shapes of M, TM and TME powders. The 0.1% solutions of M, TM and TME exhibited good emulsifying properties (emulsion activity index and emulsion stability index) but showed poor foaming properties, except for the M sample. Solution concentrations higher than 0.1% for all samples (0.5% and 1.0%) displayed poor techno-functional properties. In summary, a schematic representation of the arrangement of casein micelles in 0.1% M, TM and TME samples, on oil/water and air/water surfaces was provided. The production of TME powders represents an innovative strategy for waste recovery in the production of functional food ingredients with good emulsifying properties.
PB  - Elsevier B.V.
T2  - Food Hydrocolloids
T1  - Goat milk powders enriched with grape pomace seed extract: Physical and techno-functional properties
SP  - 109293
VL  - 146
DO  - 10.1016/j.foodhyd.2023.109293
ER  - 

@article{
author = "Milinčić, Danijel D. and Kostić, Aleksandar Ž. and Kolašinac, Stefan and Rac, Vladislav and Banjac, Nebojša and Lađarević, Jelena and Lević, Steva and Pavlović, Vladimir B. and Stanojević, Slađana P. and Nedović, Viktor A. and Pešić, Mirjana B.",
year = "2024",
abstract = "This study aimed to evaluate the physical (particle size and ζ-potential) and techno-functional properties (emulsifying and foaming) of goat milk powders enriched with grape pomace seed extract (TME), as promising food ingredients in the formulation of functional food. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) and Raman spectroscopies, along with advanced chemometric tools were employed as well as Scanning Electron Microscopy (SEM) for analyzing TME powders. All powders exhibited a unimodal particle size distribution and ζ-potential values more negative than −36 mV. ATR-FTIR and Raman spectroscopies combined with principal component analysis (PCA) demonstrated distinct separation among skimmed goat milk (M), thermally treated skimmed goat milk (TM), and TME powders in different spectral regions (amide I, II, III, and fingerprint region). This separation resulted from the applied thermal treatment, the presence of phenolic compounds and their complexes with goat milk proteins, and the formation of Maillard reaction products. SEM analysis confirmed the different morphology and shapes of M, TM and TME powders. The 0.1% solutions of M, TM and TME exhibited good emulsifying properties (emulsion activity index and emulsion stability index) but showed poor foaming properties, except for the M sample. Solution concentrations higher than 0.1% for all samples (0.5% and 1.0%) displayed poor techno-functional properties. In summary, a schematic representation of the arrangement of casein micelles in 0.1% M, TM and TME samples, on oil/water and air/water surfaces was provided. The production of TME powders represents an innovative strategy for waste recovery in the production of functional food ingredients with good emulsifying properties.",
publisher = "Elsevier B.V.",
journal = "Food Hydrocolloids",
title = "Goat milk powders enriched with grape pomace seed extract: Physical and techno-functional properties",
pages = "109293",
volume = "146",
doi = "10.1016/j.foodhyd.2023.109293"
}

Milinčić, D. D., Kostić, A. Ž., Kolašinac, S., Rac, V., Banjac, N., Lađarević, J., Lević, S., Pavlović, V. B., Stanojević, S. P., Nedović, V. A.,& Pešić, M. B.. (2024). Goat milk powders enriched with grape pomace seed extract: Physical and techno-functional properties. in Food Hydrocolloids
Elsevier B.V.., 146, 109293.
https://doi.org/10.1016/j.foodhyd.2023.109293

Milinčić DD, Kostić AŽ, Kolašinac S, Rac V, Banjac N, Lađarević J, Lević S, Pavlović VB, Stanojević SP, Nedović VA, Pešić MB. Goat milk powders enriched with grape pomace seed extract: Physical and techno-functional properties. in Food Hydrocolloids. 2024;146:109293.
doi:10.1016/j.foodhyd.2023.109293 .

Milinčić, Danijel D., Kostić, Aleksandar Ž., Kolašinac, Stefan, Rac, Vladislav, Banjac, Nebojša, Lađarević, Jelena, Lević, Steva, Pavlović, Vladimir B., Stanojević, Slađana P., Nedović, Viktor A., Pešić, Mirjana B., "Goat milk powders enriched with grape pomace seed extract: Physical and techno-functional properties" in Food Hydrocolloids, 146 (2024):109293,
https://doi.org/10.1016/j.foodhyd.2023.109293 . .

TY  - JOUR
AU  - Vidović, Dunja
AU  - Milošević, Nataša
AU  - Pavlović, Nebojša
AU  - Todorović, Nemanja
AU  - Čanji Panić, Jelena
AU  - Kovačević, Strahinja
AU  - Karadžić Banjac, Milica
AU  - Podunavac-Kuzmanović, Sanja
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Božić, Bojan
AU  - Lalić-Popović, Mladena
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5262
AB  - Percutaneous permeation of twenty-four newly synthesized succinimide derivatives was evaluated using parallel artificial membrane permeability assay (PAMPA) with 70% silicone oil and 30% isopropyl myristate. Different online tools were applied for in silico predicting of their skin permeability. According to the in silico estimation of the transdermal permeation, all compounds are expected to have relatively good ability to permeate the skin, at pH=6. However, for two compounds containing carboxylic groups, the concentration in the acceptor compartment was undetectable indicating limited permeation at pH=7.4. Statistically significant association was found between in silico predicted logKp values by the PreADMET and SwissADME online tools and the percutaneous permeability estimated from the experimental results using the artificial membranes (adj. r2 = 0.371, p = 0.00158 and adj. r2=0.232, p = 0.0135, respectively). The association between permeation through artificial membranes and the calculated logP data was also statistically significant. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) took into account in silico logKp and calculated logP data. The ranking of the lipophilicity and skin permeability parameters was conducted with sum of ranking differences (SRD) analysis which was validated. Based on the obtained results, it is predicted that lipophilicity is a pivotal physico-chemical parameter of the passive permeation of succinimide derivatives through hydrophobic barriers such as the skin. © 2022 Elsevier B.V.
T2  - Journal of Molecular Structure
T1  - Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models
SP  - 134516
VL  - 1274
DO  - 10.1016/j.molstruc.2022.134516
ER  - 

@article{
author = "Vidović, Dunja and Milošević, Nataša and Pavlović, Nebojša and Todorović, Nemanja and Čanji Panić, Jelena and Kovačević, Strahinja and Karadžić Banjac, Milica and Podunavac-Kuzmanović, Sanja and Banjac, Nebojša and Trišović, Nemanja and Božić, Bojan and Lalić-Popović, Mladena",
year = "2023",
abstract = "Percutaneous permeation of twenty-four newly synthesized succinimide derivatives was evaluated using parallel artificial membrane permeability assay (PAMPA) with 70% silicone oil and 30% isopropyl myristate. Different online tools were applied for in silico predicting of their skin permeability. According to the in silico estimation of the transdermal permeation, all compounds are expected to have relatively good ability to permeate the skin, at pH=6. However, for two compounds containing carboxylic groups, the concentration in the acceptor compartment was undetectable indicating limited permeation at pH=7.4. Statistically significant association was found between in silico predicted logKp values by the PreADMET and SwissADME online tools and the percutaneous permeability estimated from the experimental results using the artificial membranes (adj. r2 = 0.371, p = 0.00158 and adj. r2=0.232, p = 0.0135, respectively). The association between permeation through artificial membranes and the calculated logP data was also statistically significant. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) took into account in silico logKp and calculated logP data. The ranking of the lipophilicity and skin permeability parameters was conducted with sum of ranking differences (SRD) analysis which was validated. Based on the obtained results, it is predicted that lipophilicity is a pivotal physico-chemical parameter of the passive permeation of succinimide derivatives through hydrophobic barriers such as the skin. © 2022 Elsevier B.V.",
journal = "Journal of Molecular Structure",
title = "Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models",
pages = "134516",
volume = "1274",
doi = "10.1016/j.molstruc.2022.134516"
}

Vidović, D., Milošević, N., Pavlović, N., Todorović, N., Čanji Panić, J., Kovačević, S., Karadžić Banjac, M., Podunavac-Kuzmanović, S., Banjac, N., Trišović, N., Božić, B.,& Lalić-Popović, M.. (2023). Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models. in Journal of Molecular Structure, 1274, 134516.
https://doi.org/10.1016/j.molstruc.2022.134516

Vidović D, Milošević N, Pavlović N, Todorović N, Čanji Panić J, Kovačević S, Karadžić Banjac M, Podunavac-Kuzmanović S, Banjac N, Trišović N, Božić B, Lalić-Popović M. Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models. in Journal of Molecular Structure. 2023;1274:134516.
doi:10.1016/j.molstruc.2022.134516 .

Vidović, Dunja, Milošević, Nataša, Pavlović, Nebojša, Todorović, Nemanja, Čanji Panić, Jelena, Kovačević, Strahinja, Karadžić Banjac, Milica, Podunavac-Kuzmanović, Sanja, Banjac, Nebojša, Trišović, Nemanja, Božić, Bojan, Lalić-Popović, Mladena, "Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models" in Journal of Molecular Structure, 1274 (2023):134516,
https://doi.org/10.1016/j.molstruc.2022.134516 . .

TY  - JOUR
AU  - Minić, Dušanka A. Popović
AU  - Milinčić, Danijel D.
AU  - Kolašinac, Stefan
AU  - Rac, Vladislav
AU  - Petrović, Jovana
AU  - Soković, Marina
AU  - Banjac, Nebojša
AU  - Lađarević, Jelena
AU  - Vidović, Bojana B.
AU  - Kostić, Aleksandar Ž.
AU  - Pavlović, Vladimir B.
AU  - Pešić, Mirjana B.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5222
AB  - This study aimed to characterize mixtures of goat milk proteins and Agaricus blazei Murrill (ABM) extracts (aqueous, AE and polysaccharides, PE). The mixtures showed stable particles with ζ-potential more negative than −41.1 mV. The addition of AMB extracts to goat milk did not result in a significant particle size change, whereas their addition to heated goat milk significantly increased mean particle diameter (from 194 nm to 225 nm). Fourier Transform Infrared Spectroscopy (FTIR) showed that ABM extracts provoked changes in the secondary structure of goat milk proteins and interactions between polysaccharides and milk proteins predominantly via hydrogen and/or glycoside bonds and hydrophobic interactions. The milk protein profiles revealed proteolytic activity in mixtures with AE resulting in the formation of five new polypeptides. The different microstructures of mixtures with AE and PE were found by Scanning Electron Microscopy (SEM). A schematic representation of possible milk proteins-ABM extracts interactions has been given.
PB  - Elsevier Ltd
T2  - Food Chemistry
T1  - Goat milk proteins enriched with Agaricus blazei Murrill ss. Heinem extracts: Electrophoretic, FTIR, DLS and microstructure characterization
SP  - 134299
VL  - 402
DO  - 10.1016/j.foodchem.2022.134299
ER  - 

@article{
author = "Minić, Dušanka A. Popović and Milinčić, Danijel D. and Kolašinac, Stefan and Rac, Vladislav and Petrović, Jovana and Soković, Marina and Banjac, Nebojša and Lađarević, Jelena and Vidović, Bojana B. and Kostić, Aleksandar Ž. and Pavlović, Vladimir B. and Pešić, Mirjana B.",
year = "2023",
abstract = "This study aimed to characterize mixtures of goat milk proteins and Agaricus blazei Murrill (ABM) extracts (aqueous, AE and polysaccharides, PE). The mixtures showed stable particles with ζ-potential more negative than −41.1 mV. The addition of AMB extracts to goat milk did not result in a significant particle size change, whereas their addition to heated goat milk significantly increased mean particle diameter (from 194 nm to 225 nm). Fourier Transform Infrared Spectroscopy (FTIR) showed that ABM extracts provoked changes in the secondary structure of goat milk proteins and interactions between polysaccharides and milk proteins predominantly via hydrogen and/or glycoside bonds and hydrophobic interactions. The milk protein profiles revealed proteolytic activity in mixtures with AE resulting in the formation of five new polypeptides. The different microstructures of mixtures with AE and PE were found by Scanning Electron Microscopy (SEM). A schematic representation of possible milk proteins-ABM extracts interactions has been given.",
publisher = "Elsevier Ltd",
journal = "Food Chemistry",
title = "Goat milk proteins enriched with Agaricus blazei Murrill ss. Heinem extracts: Electrophoretic, FTIR, DLS and microstructure characterization",
pages = "134299",
volume = "402",
doi = "10.1016/j.foodchem.2022.134299"
}

Minić, D. A. P., Milinčić, D. D., Kolašinac, S., Rac, V., Petrović, J., Soković, M., Banjac, N., Lađarević, J., Vidović, B. B., Kostić, A. Ž., Pavlović, V. B.,& Pešić, M. B.. (2023). Goat milk proteins enriched with Agaricus blazei Murrill ss. Heinem extracts: Electrophoretic, FTIR, DLS and microstructure characterization. in Food Chemistry
Elsevier Ltd., 402, 134299.
https://doi.org/10.1016/j.foodchem.2022.134299

Minić DAP, Milinčić DD, Kolašinac S, Rac V, Petrović J, Soković M, Banjac N, Lađarević J, Vidović BB, Kostić AŽ, Pavlović VB, Pešić MB. Goat milk proteins enriched with Agaricus blazei Murrill ss. Heinem extracts: Electrophoretic, FTIR, DLS and microstructure characterization. in Food Chemistry. 2023;402:134299.
doi:10.1016/j.foodchem.2022.134299 .

Minić, Dušanka A. Popović, Milinčić, Danijel D., Kolašinac, Stefan, Rac, Vladislav, Petrović, Jovana, Soković, Marina, Banjac, Nebojša, Lađarević, Jelena, Vidović, Bojana B., Kostić, Aleksandar Ž., Pavlović, Vladimir B., Pešić, Mirjana B., "Goat milk proteins enriched with Agaricus blazei Murrill ss. Heinem extracts: Electrophoretic, FTIR, DLS and microstructure characterization" in Food Chemistry, 402 (2023):134299,
https://doi.org/10.1016/j.foodchem.2022.134299 . .

TY  - JOUR
AU  - Vidović, Dunja
AU  - Milošević, Nataša
AU  - Pavlović, Nebojša
AU  - Todorović, Nemanja
AU  - Panić Čanji, Jelena
AU  - Ćurčić, Jelena
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Božić, Bojan
AU  - Lalić-Popović, Mladena
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5150
AB  - Passive permeability is one of the key features that determine absorbability and one of the most studied properties in the early phases of drug development. Newly synthesized succinimide derivatives from two different series (1-aryl-3-methylsuccinimides and 1-aryl-3-ethyl-3-methylsuccinimides) with high biological potential have been subjected to estimation of their passive permeability and their association with (a) experimentally obtained anisotropic lipophilicity, (b) in silico–calculated lipophilicity and (c) in silico–predicted permeability and absorbability. Non-cellular-based parallel artificial membrane permeability assay was applied for quantifying their passive permeation, expressed as logPapp. Passive permeation was governed by the lipophilicity of the analysed compounds, and anisotropic lipophilicity was related with statistically significant passive transcellular diffusion (r2 = 0.614, P < 0.001). Moreover, experimentally determined passive permeability, logPapp, was statistically significantly associated with both in silico–predicted absorption constant, ka (r2 = 0.7886, P < 0.001), and human intestinal absorption (HIA) in percentage (r2 = 0.484, P < 0.001), respectively. However, there was no statistically significant relationship between experimentally obtained permeability on non-cellular-based model and in silico–predicted Caco-2 permeability based on the predictions conducted on two different software. Based on the obtained results, anisotropic systems are promising surrogates for determining lipophilicity, except for compounds with acidic functional groups that are completely ionized under (pH = 7.4).
T2  - Biomedical Chromatography
T1  - In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay
DO  - 10.1002/bmc.5413
ER  - 

@article{
author = "Vidović, Dunja and Milošević, Nataša and Pavlović, Nebojša and Todorović, Nemanja and Panić Čanji, Jelena and Ćurčić, Jelena and Banjac, Nebojša and Trišović, Nemanja and Božić, Bojan and Lalić-Popović, Mladena",
year = "2022",
abstract = "Passive permeability is one of the key features that determine absorbability and one of the most studied properties in the early phases of drug development. Newly synthesized succinimide derivatives from two different series (1-aryl-3-methylsuccinimides and 1-aryl-3-ethyl-3-methylsuccinimides) with high biological potential have been subjected to estimation of their passive permeability and their association with (a) experimentally obtained anisotropic lipophilicity, (b) in silico–calculated lipophilicity and (c) in silico–predicted permeability and absorbability. Non-cellular-based parallel artificial membrane permeability assay was applied for quantifying their passive permeation, expressed as logPapp. Passive permeation was governed by the lipophilicity of the analysed compounds, and anisotropic lipophilicity was related with statistically significant passive transcellular diffusion (r2 = 0.614, P < 0.001). Moreover, experimentally determined passive permeability, logPapp, was statistically significantly associated with both in silico–predicted absorption constant, ka (r2 = 0.7886, P < 0.001), and human intestinal absorption (HIA) in percentage (r2 = 0.484, P < 0.001), respectively. However, there was no statistically significant relationship between experimentally obtained permeability on non-cellular-based model and in silico–predicted Caco-2 permeability based on the predictions conducted on two different software. Based on the obtained results, anisotropic systems are promising surrogates for determining lipophilicity, except for compounds with acidic functional groups that are completely ionized under (pH = 7.4).",
journal = "Biomedical Chromatography",
title = "In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay",
doi = "10.1002/bmc.5413"
}

Vidović, D., Milošević, N., Pavlović, N., Todorović, N., Panić Čanji, J., Ćurčić, J., Banjac, N., Trišović, N., Božić, B.,& Lalić-Popović, M.. (2022). In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay. in Biomedical Chromatography.
https://doi.org/10.1002/bmc.5413

Vidović D, Milošević N, Pavlović N, Todorović N, Panić Čanji J, Ćurčić J, Banjac N, Trišović N, Božić B, Lalić-Popović M. In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay. in Biomedical Chromatography. 2022;.
doi:10.1002/bmc.5413 .

Vidović, Dunja, Milošević, Nataša, Pavlović, Nebojša, Todorović, Nemanja, Panić Čanji, Jelena, Ćurčić, Jelena, Banjac, Nebojša, Trišović, Nemanja, Božić, Bojan, Lalić-Popović, Mladena, "In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay" in Biomedical Chromatography (2022),
https://doi.org/10.1002/bmc.5413 . .

TY  - CONF
AU  - Banjac, Nebojša
AU  - Lađarević, Jelena
AU  - Vasić, Dušan
AU  - Milatović, Dragan
AU  - Boškov, Đorđe
AU  - Popović-Đorđević, Jelena
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6752
AB  - Sweet cherry (Prunus avium L.) is one of the most appreciated temperate fruit trees, whose fruits are among the first to ripen in the season. Fruits are used mainly for fresh consumption, and very little for processing. Sweet cherry fruits contain large amounts of soluble solids (10- 22%) most of which are sugars. Glucose and fructose are dominant, while the amount of sucrose is significantly lower. The content of organic acids is relatively low (0.3-1.2%), and malic acid is dominant. Sweet cherries are also a rich source of bioactive compounds, such as polyphenols, vitamins, minerals, and dietary fibers. The most abundant classes of phenolic compounds are anthocyanins, phenolic acids and flavonols, which contribute to antioxidant potential of the fruits. Anthocyanins, which give the fruits their red color, are especially important. Cyanidin-3-rutinoside followed by cyanidin-3-glucoside is the most abundant anthocyanin in sweet cherry fruit. Moreover, neo-chlorogenic acid, chlorogenic acid, and p-coumaroylquinic acid are most represented phenolic acids. High content of bioactive compounds in sweet cherries are mainly responsible for many beneficial health effects: reduced inflammation and symptoms of arthritis, regulation of blood pressure, reduced risk of a stroke, weight loss, prevention of cancer, diabetes and Alzheimer's disease [1]. 
The aim of the present research was to examine chemical composition of nine cherry cultivars varieties: ‛Vega’, ‛Carmen’, ‛Grace Star’, ‛Samba’, ‛Black Star’, ‛Olympus’, ‛Benton’, ‛Sela’, and ‛Staccato’, using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy. The sweet cherry samples were weighed, and then dissolved in 50:50 ethanol/water (v/v) solutions. Ultrasound-assisted extraction was used to extract the antioxidant compounds. After extraction, the samples were filtered and evaporation was carried out on a vacuum on the 40°C [2]. The cherry extract was recorded in absorbance mode, using a Nicolet™ iS™ 10 ATR-FTIR Spectrometer (Thermo Fisher Scientific). The ATR-FTIR spectra of analyzed samples were recorded in the range 500-4000 cm-1. The obtained absorption maxima indicated presence of esters, monosaccharides, polysaccharides, flavonoids and anthocyanin pigments in studied cherry cultivars varieties. Intensity of specific bands differed between cherry cultivars.
PB  - Belgrade : University of Belgrade‐Faculty of Agriculture
C3  - Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia
T1  - Insight into chemical composition of sweet cherry (Prunus avium L.) fruits - application of ATR-FTIR spectroscopy
SP  - 87
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6752
ER  - 

@conference{
author = "Banjac, Nebojša and Lađarević, Jelena and Vasić, Dušan and Milatović, Dragan and Boškov, Đorđe and Popović-Đorđević, Jelena",
year = "2022",
abstract = "Sweet cherry (Prunus avium L.) is one of the most appreciated temperate fruit trees, whose fruits are among the first to ripen in the season. Fruits are used mainly for fresh consumption, and very little for processing. Sweet cherry fruits contain large amounts of soluble solids (10- 22%) most of which are sugars. Glucose and fructose are dominant, while the amount of sucrose is significantly lower. The content of organic acids is relatively low (0.3-1.2%), and malic acid is dominant. Sweet cherries are also a rich source of bioactive compounds, such as polyphenols, vitamins, minerals, and dietary fibers. The most abundant classes of phenolic compounds are anthocyanins, phenolic acids and flavonols, which contribute to antioxidant potential of the fruits. Anthocyanins, which give the fruits their red color, are especially important. Cyanidin-3-rutinoside followed by cyanidin-3-glucoside is the most abundant anthocyanin in sweet cherry fruit. Moreover, neo-chlorogenic acid, chlorogenic acid, and p-coumaroylquinic acid are most represented phenolic acids. High content of bioactive compounds in sweet cherries are mainly responsible for many beneficial health effects: reduced inflammation and symptoms of arthritis, regulation of blood pressure, reduced risk of a stroke, weight loss, prevention of cancer, diabetes and Alzheimer's disease [1]. 
The aim of the present research was to examine chemical composition of nine cherry cultivars varieties: ‛Vega’, ‛Carmen’, ‛Grace Star’, ‛Samba’, ‛Black Star’, ‛Olympus’, ‛Benton’, ‛Sela’, and ‛Staccato’, using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy. The sweet cherry samples were weighed, and then dissolved in 50:50 ethanol/water (v/v) solutions. Ultrasound-assisted extraction was used to extract the antioxidant compounds. After extraction, the samples were filtered and evaporation was carried out on a vacuum on the 40°C [2]. The cherry extract was recorded in absorbance mode, using a Nicolet™ iS™ 10 ATR-FTIR Spectrometer (Thermo Fisher Scientific). The ATR-FTIR spectra of analyzed samples were recorded in the range 500-4000 cm-1. The obtained absorption maxima indicated presence of esters, monosaccharides, polysaccharides, flavonoids and anthocyanin pigments in studied cherry cultivars varieties. Intensity of specific bands differed between cherry cultivars.",
publisher = "Belgrade : University of Belgrade‐Faculty of Agriculture",
journal = "Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia",
title = "Insight into chemical composition of sweet cherry (Prunus avium L.) fruits - application of ATR-FTIR spectroscopy",
pages = "87",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6752"
}

Banjac, N., Lađarević, J., Vasić, D., Milatović, D., Boškov, Đ.,& Popović-Đorđević, J.. (2022). Insight into chemical composition of sweet cherry (Prunus avium L.) fruits - application of ATR-FTIR spectroscopy. in Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia
Belgrade : University of Belgrade‐Faculty of Agriculture., 87.
https://hdl.handle.net/21.15107/rcub_technorep_6752

Banjac N, Lađarević J, Vasić D, Milatović D, Boškov Đ, Popović-Đorđević J. Insight into chemical composition of sweet cherry (Prunus avium L.) fruits - application of ATR-FTIR spectroscopy. in Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia. 2022;:87.
https://hdl.handle.net/21.15107/rcub_technorep_6752 .

Banjac, Nebojša, Lađarević, Jelena, Vasić, Dušan, Milatović, Dragan, Boškov, Đorđe, Popović-Đorđević, Jelena, "Insight into chemical composition of sweet cherry (Prunus avium L.) fruits - application of ATR-FTIR spectroscopy" in Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia (2022):87,
https://hdl.handle.net/21.15107/rcub_technorep_6752 .

TY  - CONF
AU  - Mićanović, Nenad
AU  - Lađarević, Jelena
AU  - Banjac, Nebojša
AU  - Popović-Đorđević, Jelena
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6751
AB  - Medlar (Mespilus germanica L.), blackthorn (Prunus spunosa L.) and hawthorn (Crategus mopnogyna Jacq. L.) are fruits belonging to the Rosaceae family. Medlar originates from the southeastern part of Europe, Turkey, Iran, and Iraq. It is well known among folks in this part of the world but, due to limited growing area, it is not recognized among the wide scientific community although it has been proven as a good source of phenolic compounds (chlorogenic acid, rutin, p-coumaric acid, quercetin, vanillin, protocatechuic acid, gallic acid, caffeic acid, etc.), sugars (glucose, sucrose, fructose) different organic acids (malic, tartaric,oxalic, citric, etc.) and vitamins, especially vitamin C [1,2]. Among fatty acids saturated ones such as hexanoic and hexadecanoic acids were predominant as well as stearic, oleic, linoleic, and behenic acids [3]. Blackthorn is one of the important wild plants with powerful healthpromoting properties. Its chemical composition is characterized by the presence of phenolic compounds which act as antioxidants, specifically flavonol heterosides (quercetin and kaempferol), phenolic acids (especially 3-O-caffeoylquinic acid), and coumarin derivatives, anthocyanins (particularly cyanidin-3-O-rutonoside and peonidin-3-O-rutonoside) which are responsible for its dark blue color [4]. Hawthorn is an endemic member of the Rosaceae family which ripens in mid-autumn, is used for different culinary purposes, such as the preparation of jellies, jams, and syrups [5]. The chemical composition of hawhorns is is characterized with the predominance of the following compounds: kaempferol and quercitrin (flavonol), apigenin (flavone) and ursolic acid (phenolic acid). Additionally, flavan-3-ol monomers, dimers, trimers, and tetramers were determined too. In addition, both unripe and ripened fruits contained significant quantities of tocopherols, β-carotene as well as vitamin C [5]. Chemical compositions of medlar, blackthorn and hawthorn fruit extracts were analyzed using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy. The spectra were recorded in the the range 500-4000 cm-1, using Nicolet™ iS™ 10 ATR-FTIR Spectrometer (Thermo Fisher Scientific). The obtained absorption maxima indicated presence of monosaccharides, polysaccharides and polyphenols in studied medlar, blackthorn and hawthorn extracts.
PB  - Belgrade : University of Belgrade‐Faculty of Agriculture
C3  - Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia
T1  - Insight into chemical composition of wild growing fruits from Serbia – application of ATR-FTIR spectroscopy
SP  - 88
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6751
ER  - 

@conference{
author = "Mićanović, Nenad and Lađarević, Jelena and Banjac, Nebojša and Popović-Đorđević, Jelena",
year = "2022",
abstract = "Medlar (Mespilus germanica L.), blackthorn (Prunus spunosa L.) and hawthorn (Crategus mopnogyna Jacq. L.) are fruits belonging to the Rosaceae family. Medlar originates from the southeastern part of Europe, Turkey, Iran, and Iraq. It is well known among folks in this part of the world but, due to limited growing area, it is not recognized among the wide scientific community although it has been proven as a good source of phenolic compounds (chlorogenic acid, rutin, p-coumaric acid, quercetin, vanillin, protocatechuic acid, gallic acid, caffeic acid, etc.), sugars (glucose, sucrose, fructose) different organic acids (malic, tartaric,oxalic, citric, etc.) and vitamins, especially vitamin C [1,2]. Among fatty acids saturated ones such as hexanoic and hexadecanoic acids were predominant as well as stearic, oleic, linoleic, and behenic acids [3]. Blackthorn is one of the important wild plants with powerful healthpromoting properties. Its chemical composition is characterized by the presence of phenolic compounds which act as antioxidants, specifically flavonol heterosides (quercetin and kaempferol), phenolic acids (especially 3-O-caffeoylquinic acid), and coumarin derivatives, anthocyanins (particularly cyanidin-3-O-rutonoside and peonidin-3-O-rutonoside) which are responsible for its dark blue color [4]. Hawthorn is an endemic member of the Rosaceae family which ripens in mid-autumn, is used for different culinary purposes, such as the preparation of jellies, jams, and syrups [5]. The chemical composition of hawhorns is is characterized with the predominance of the following compounds: kaempferol and quercitrin (flavonol), apigenin (flavone) and ursolic acid (phenolic acid). Additionally, flavan-3-ol monomers, dimers, trimers, and tetramers were determined too. In addition, both unripe and ripened fruits contained significant quantities of tocopherols, β-carotene as well as vitamin C [5]. Chemical compositions of medlar, blackthorn and hawthorn fruit extracts were analyzed using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy. The spectra were recorded in the the range 500-4000 cm-1, using Nicolet™ iS™ 10 ATR-FTIR Spectrometer (Thermo Fisher Scientific). The obtained absorption maxima indicated presence of monosaccharides, polysaccharides and polyphenols in studied medlar, blackthorn and hawthorn extracts.",
publisher = "Belgrade : University of Belgrade‐Faculty of Agriculture",
journal = "Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia",
title = "Insight into chemical composition of wild growing fruits from Serbia – application of ATR-FTIR spectroscopy",
pages = "88",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6751"
}

Mićanović, N., Lađarević, J., Banjac, N.,& Popović-Đorđević, J.. (2022). Insight into chemical composition of wild growing fruits from Serbia – application of ATR-FTIR spectroscopy. in Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia
Belgrade : University of Belgrade‐Faculty of Agriculture., 88.
https://hdl.handle.net/21.15107/rcub_technorep_6751

Mićanović N, Lađarević J, Banjac N, Popović-Đorđević J. Insight into chemical composition of wild growing fruits from Serbia – application of ATR-FTIR spectroscopy. in Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia. 2022;:88.
https://hdl.handle.net/21.15107/rcub_technorep_6751 .

Mićanović, Nenad, Lađarević, Jelena, Banjac, Nebojša, Popović-Đorđević, Jelena, "Insight into chemical composition of wild growing fruits from Serbia – application of ATR-FTIR spectroscopy" in Book of Abstracts / 1st European Symposium on Phytochemicals in Medicine and Food (1-EuSPMF), 7-9 September 2022, Belgrade, Serbia (2022):88,
https://hdl.handle.net/21.15107/rcub_technorep_6751 .

TY  - CONF
AU  - Lazić, Anita
AU  - Gak Simić, Kristina
AU  - Trišović, Nemanja
AU  - Bačević, Milena
AU  - Banjac, Nebojša
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6785
AB  - Succinimide (pyrrolidine-2,5-dione) derivatives are organic compounds with a wide spectrum of pharmacological activities. Analogs of this cyclic ureide are well-known anticonvulsants (ethosuccinimide, metosuccinimide and fensuccinimide), antipsychotics, and sedatives, anticancer and antiviral agents. In this paper, using a modified microwave procedure, two succinimide derivatives were synthetized and completely structurally characterized by melting point, as well as FT-IR/ATR, 1H NMR, 13C NMR and elemental analysis. The impact of chemical structure on the pharmacological potential of succinimide derivatives was evaluated using the pioneering "rule of five", Veber, Egan, and Ghose’s empirical criteria, as well as using different in silico methods. Obtained values of molecular descriptors were compared with the characteristic values for reference drugs such as methosuccinimide and ethosuccinimide. Calculated molecular descriptors suggest that the investigated compounds fulfill necessary empirical criteria which qualify them as interesting drug candidates. The obtained descriptors indicate a high degree of gastrointestinal absorption (98%) of the synthesized succinimide derivatives. They are expected to successfully pass through the blood-brain barrier due to the adequate lipophilicity. Also, depending on the electronic characteristics of the substituents attached to the phenyl core, the studied compounds can act as activators or inhibitors of different cytochrome P450 isoenzymes.
PB  - Leskovac : Faculty of Technology
C3  - Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021
T1  - Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives
EP  - 37
SP  - 31
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6785
ER  - 

@conference{
author = "Lazić, Anita and Gak Simić, Kristina and Trišović, Nemanja and Bačević, Milena and Banjac, Nebojša",
year = "2021",
abstract = "Succinimide (pyrrolidine-2,5-dione) derivatives are organic compounds with a wide spectrum of pharmacological activities. Analogs of this cyclic ureide are well-known anticonvulsants (ethosuccinimide, metosuccinimide and fensuccinimide), antipsychotics, and sedatives, anticancer and antiviral agents. In this paper, using a modified microwave procedure, two succinimide derivatives were synthetized and completely structurally characterized by melting point, as well as FT-IR/ATR, 1H NMR, 13C NMR and elemental analysis. The impact of chemical structure on the pharmacological potential of succinimide derivatives was evaluated using the pioneering "rule of five", Veber, Egan, and Ghose’s empirical criteria, as well as using different in silico methods. Obtained values of molecular descriptors were compared with the characteristic values for reference drugs such as methosuccinimide and ethosuccinimide. Calculated molecular descriptors suggest that the investigated compounds fulfill necessary empirical criteria which qualify them as interesting drug candidates. The obtained descriptors indicate a high degree of gastrointestinal absorption (98%) of the synthesized succinimide derivatives. They are expected to successfully pass through the blood-brain barrier due to the adequate lipophilicity. Also, depending on the electronic characteristics of the substituents attached to the phenyl core, the studied compounds can act as activators or inhibitors of different cytochrome P450 isoenzymes.",
publisher = "Leskovac : Faculty of Technology",
journal = "Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021",
title = "Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives",
pages = "37-31",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6785"
}

Lazić, A., Gak Simić, K., Trišović, N., Bačević, M.,& Banjac, N.. (2021). Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives. in Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021
Leskovac : Faculty of Technology., 31-37.
https://hdl.handle.net/21.15107/rcub_technorep_6785

Lazić A, Gak Simić K, Trišović N, Bačević M, Banjac N. Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives. in Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021. 2021;:31-37.
https://hdl.handle.net/21.15107/rcub_technorep_6785 .

Lazić, Anita, Gak Simić, Kristina, Trišović, Nemanja, Bačević, Milena, Banjac, Nebojša, "Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives" in Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021 (2021):31-37,
https://hdl.handle.net/21.15107/rcub_technorep_6785 .

TY  - CONF
AU  - Lazić, Anita
AU  - Gak Simić, Kristina
AU  - Trišović, Nemanja
AU  - Banjac, Nebojša
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6773
AB  - Succinimide (pyrrolidine-2,5-dione) derivatives represent organic compounds with a broad spectrum of pharmacological activity. Succinimide derivatives are well known anticonvulsants (ethosuccinimide, metosuccinimide and fensuccinimide), antipsychotics, sedatives, anticancer and antiviral agents. In this work, using a modified microwave procedure, succinimide derivatives bearing a meta and/or para-substituted phenyl group in position 1 and 4 were synthetized and completely structurally characterized by melting point, FT-IR/ATR, 1H NMR, 13C NMR and UV-Vis spectra and elemental analysis. The position of the absorption maxima of newly synthesized compounds in different solvents is considered from the aspect of specific and nonspecific interactions established between the molecules. The influence of the chemical structure on the pharmacological potential of succinimide derivatives was evaluated using the "rule of five", Veber, Egan and Ghose’s empirical criteria, as well as using different in silico methods. The obtained values of molecular descriptors were then compared with the characteristic values for reference drugs such as methosuccinimide and ethosuccinimide. Calculated molecular descriptors indicate that the investigated compounds fulfill necessary empirical criteria which qualify them as interesting drug candidates.
AB  - Derivati sukcinimida (pirolidin-2,5-diona) predstavljaju organska jedinjenja širokog spektra farmakološke aktivnosti. Derivati ovog jedinjenja poznati su antikonvulzivi (etosukcinimid, metosukcinimid i fensukcinimid), antipsihotici, sedativi, antikancerogeni i antivirusni agensi. U okviru ovog rada, primenom modifikovanog mikrotalasnog postupka, sintetisani su pirolidin-2,5-dioni koji u položajima 1 i 4 sadrže meta i/ili para-supstituisanu fenil-grupu. Njihova struktura potvrđena je određivanjem temperature topljenja, primenom FT-IR/ATR, 1H NMR, 13C NMR i UV-Vis spektroksopskih metoda i elementarne analize. Položaj apsorpcionih maksimuma novosintetisanih jedinjenja u različitim rastvaračima razmatran je sa apsekta specifičnih i nespecifičnih interakcija koje se uspostavljaju između molekula rastvorene supstance i molekula rastvarača. Uticaj hemijske strukture na farmakološki potencijal derivata pirolidin-2,5-diona, procenjen je primenom „pravila broja pet“, Veberovog, Eganovog i Gozovog emirijskog kriterijuma, kao i primenom različitih in silico metoda. Dobijene vrednosti molekulskih deskriptora potom su upoređene sa vrednostima karakterističnim za referentne lekove kao što su metosukcinimid i etosukcinimid. Dobijene vrednosti molekulskih deskriptora ukazuju da proučavana jedinjenja zadovoljavaju sve empirijske kriterijume neophodne za dalja ispitivanja lekova.
PB  - Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku
C3  - Zbornik radova / 34. Međunarodni kongres o procesnoj industriji, PROCESING '21, 3. i 4. jun 2021, Novi Sad
T1  - Synthesis of disubstituted pyrrolidine-2,5-dione derivatives using the microwave procedure and evaluation of their pharmacokinetically relevant properties
T1  - Sinteza disupstituisanih derivata pirolidin-2,5-diona primenom mikrotalasnog postupka i evaluacija njihovih farmakokinetički relevantnih svojstava
EP  - 96
SP  - 89
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6773
ER  - 

@conference{
author = "Lazić, Anita and Gak Simić, Kristina and Trišović, Nemanja and Banjac, Nebojša",
year = "2021",
abstract = "Succinimide (pyrrolidine-2,5-dione) derivatives represent organic compounds with a broad spectrum of pharmacological activity. Succinimide derivatives are well known anticonvulsants (ethosuccinimide, metosuccinimide and fensuccinimide), antipsychotics, sedatives, anticancer and antiviral agents. In this work, using a modified microwave procedure, succinimide derivatives bearing a meta and/or para-substituted phenyl group in position 1 and 4 were synthetized and completely structurally characterized by melting point, FT-IR/ATR, 1H NMR, 13C NMR and UV-Vis spectra and elemental analysis. The position of the absorption maxima of newly synthesized compounds in different solvents is considered from the aspect of specific and nonspecific interactions established between the molecules. The influence of the chemical structure on the pharmacological potential of succinimide derivatives was evaluated using the "rule of five", Veber, Egan and Ghose’s empirical criteria, as well as using different in silico methods. The obtained values of molecular descriptors were then compared with the characteristic values for reference drugs such as methosuccinimide and ethosuccinimide. Calculated molecular descriptors indicate that the investigated compounds fulfill necessary empirical criteria which qualify them as interesting drug candidates., Derivati sukcinimida (pirolidin-2,5-diona) predstavljaju organska jedinjenja širokog spektra farmakološke aktivnosti. Derivati ovog jedinjenja poznati su antikonvulzivi (etosukcinimid, metosukcinimid i fensukcinimid), antipsihotici, sedativi, antikancerogeni i antivirusni agensi. U okviru ovog rada, primenom modifikovanog mikrotalasnog postupka, sintetisani su pirolidin-2,5-dioni koji u položajima 1 i 4 sadrže meta i/ili para-supstituisanu fenil-grupu. Njihova struktura potvrđena je određivanjem temperature topljenja, primenom FT-IR/ATR, 1H NMR, 13C NMR i UV-Vis spektroksopskih metoda i elementarne analize. Položaj apsorpcionih maksimuma novosintetisanih jedinjenja u različitim rastvaračima razmatran je sa apsekta specifičnih i nespecifičnih interakcija koje se uspostavljaju između molekula rastvorene supstance i molekula rastvarača. Uticaj hemijske strukture na farmakološki potencijal derivata pirolidin-2,5-diona, procenjen je primenom „pravila broja pet“, Veberovog, Eganovog i Gozovog emirijskog kriterijuma, kao i primenom različitih in silico metoda. Dobijene vrednosti molekulskih deskriptora potom su upoređene sa vrednostima karakterističnim za referentne lekove kao što su metosukcinimid i etosukcinimid. Dobijene vrednosti molekulskih deskriptora ukazuju da proučavana jedinjenja zadovoljavaju sve empirijske kriterijume neophodne za dalja ispitivanja lekova.",
publisher = "Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku",
journal = "Zbornik radova / 34. Međunarodni kongres o procesnoj industriji, PROCESING '21, 3. i 4. jun 2021, Novi Sad",
title = "Synthesis of disubstituted pyrrolidine-2,5-dione derivatives using the microwave procedure and evaluation of their pharmacokinetically relevant properties, Sinteza disupstituisanih derivata pirolidin-2,5-diona primenom mikrotalasnog postupka i evaluacija njihovih farmakokinetički relevantnih svojstava",
pages = "96-89",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6773"
}

Lazić, A., Gak Simić, K., Trišović, N.,& Banjac, N.. (2021). Synthesis of disubstituted pyrrolidine-2,5-dione derivatives using the microwave procedure and evaluation of their pharmacokinetically relevant properties. in Zbornik radova / 34. Međunarodni kongres o procesnoj industriji, PROCESING '21, 3. i 4. jun 2021, Novi Sad
Beograd : Savez mašinskih i elektrotehničkih inženjera i tehničara Srbije (SMEITS), Društvo za procesnu tehniku., 89-96.
https://hdl.handle.net/21.15107/rcub_technorep_6773

Lazić A, Gak Simić K, Trišović N, Banjac N. Synthesis of disubstituted pyrrolidine-2,5-dione derivatives using the microwave procedure and evaluation of their pharmacokinetically relevant properties. in Zbornik radova / 34. Međunarodni kongres o procesnoj industriji, PROCESING '21, 3. i 4. jun 2021, Novi Sad. 2021;:89-96.
https://hdl.handle.net/21.15107/rcub_technorep_6773 .

Lazić, Anita, Gak Simić, Kristina, Trišović, Nemanja, Banjac, Nebojša, "Synthesis of disubstituted pyrrolidine-2,5-dione derivatives using the microwave procedure and evaluation of their pharmacokinetically relevant properties" in Zbornik radova / 34. Međunarodni kongres o procesnoj industriji, PROCESING '21, 3. i 4. jun 2021, Novi Sad (2021):89-96,
https://hdl.handle.net/21.15107/rcub_technorep_6773 .

TY  - JOUR
AU  - Kovačević, Strahinja
AU  - Karadzić-Banjac, Milica
AU  - Podunavac-Kuzmanović, Sanja
AU  - Milošević, Nataša
AU  - Curcić, Jelena
AU  - Vulić, Jelena
AU  - Seregelj, Vanja
AU  - Banjac, Nebojša
AU  - Ušćumlić, Gordana
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5885
AB  - The present study is focused on a series of newly synthesized 1-aryl-3-ethyl-3-methylsuccinimide derivatives, as potential anticonvulsants. The retention behavior of eleven succinimide derivatives was determined by using reversed phase high performance liquid chromatography (RP-HPLC) and reversed phase high performance thin layer chromatography (RP-HPTLC). The estimated retention behavior was correlated with partition (logP) and distribution coefficients (logD). These high correlations pointed out that the determined retention parameters (logK(0) and R-M(0)) can be considered chromatographic (anisotropic) lipophilicity of the studied succinimide derivatives. The structural properties, which dominantly affect the chromatographic lipophilicity, were determined as well. The significant correlations between the chromatographic lipophilicity and plasma protein binding (PPB), Madin-Darby Canine Kidney (MDCK) cells permeability, volume of distribution (Vd) and absorption constant (Ka) indicate the strong influence of lipophilicity on pharmacokinetics of 1-aryl-3-ethyl-3-methylsuccinimide derivatives. These derivatives have also been tested applying Comprehensive Medicinal Chemistry (CMC) drug-like rules which confirmed their drug-like properties. Besides, their blood-brain penetration (BBB) ability has been estimated applying the set of Clark's rules and by using Pre-ADMET software. Regarding toxicity, it was predicted that only one compound from the set might have toxic effects by blocking the hERG potassium channel. The present study reveals which molecular features in the structure of novel succinimide derivatives could be crucial for their lipophilicity, and consequently for their pharmacokinetic properties. The results indicate that the newly synthesized series of succinimide derivatives should be further considered in design of novel anticonvulsants.
PB  - Elsevier Sci Ltd, Oxford
T2  - Computational Biology and Chemistry
T1  - Chromatographic and computational screening of anisotropic lipophilicity and pharmacokinetics of newly synthesized 1-aryl-3-ethyl-3-methylsuccinimides
VL  - 84
DO  - 10.1016/j.compbiolchem.2019.107161
ER  - 

@article{
author = "Kovačević, Strahinja and Karadzić-Banjac, Milica and Podunavac-Kuzmanović, Sanja and Milošević, Nataša and Curcić, Jelena and Vulić, Jelena and Seregelj, Vanja and Banjac, Nebojša and Ušćumlić, Gordana",
year = "2020",
abstract = "The present study is focused on a series of newly synthesized 1-aryl-3-ethyl-3-methylsuccinimide derivatives, as potential anticonvulsants. The retention behavior of eleven succinimide derivatives was determined by using reversed phase high performance liquid chromatography (RP-HPLC) and reversed phase high performance thin layer chromatography (RP-HPTLC). The estimated retention behavior was correlated with partition (logP) and distribution coefficients (logD). These high correlations pointed out that the determined retention parameters (logK(0) and R-M(0)) can be considered chromatographic (anisotropic) lipophilicity of the studied succinimide derivatives. The structural properties, which dominantly affect the chromatographic lipophilicity, were determined as well. The significant correlations between the chromatographic lipophilicity and plasma protein binding (PPB), Madin-Darby Canine Kidney (MDCK) cells permeability, volume of distribution (Vd) and absorption constant (Ka) indicate the strong influence of lipophilicity on pharmacokinetics of 1-aryl-3-ethyl-3-methylsuccinimide derivatives. These derivatives have also been tested applying Comprehensive Medicinal Chemistry (CMC) drug-like rules which confirmed their drug-like properties. Besides, their blood-brain penetration (BBB) ability has been estimated applying the set of Clark's rules and by using Pre-ADMET software. Regarding toxicity, it was predicted that only one compound from the set might have toxic effects by blocking the hERG potassium channel. The present study reveals which molecular features in the structure of novel succinimide derivatives could be crucial for their lipophilicity, and consequently for their pharmacokinetic properties. The results indicate that the newly synthesized series of succinimide derivatives should be further considered in design of novel anticonvulsants.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Computational Biology and Chemistry",
title = "Chromatographic and computational screening of anisotropic lipophilicity and pharmacokinetics of newly synthesized 1-aryl-3-ethyl-3-methylsuccinimides",
volume = "84",
doi = "10.1016/j.compbiolchem.2019.107161"
}

Kovačević, S., Karadzić-Banjac, M., Podunavac-Kuzmanović, S., Milošević, N., Curcić, J., Vulić, J., Seregelj, V., Banjac, N.,& Ušćumlić, G.. (2020). Chromatographic and computational screening of anisotropic lipophilicity and pharmacokinetics of newly synthesized 1-aryl-3-ethyl-3-methylsuccinimides. in Computational Biology and Chemistry
Elsevier Sci Ltd, Oxford., 84.
https://doi.org/10.1016/j.compbiolchem.2019.107161

Kovačević S, Karadzić-Banjac M, Podunavac-Kuzmanović S, Milošević N, Curcić J, Vulić J, Seregelj V, Banjac N, Ušćumlić G. Chromatographic and computational screening of anisotropic lipophilicity and pharmacokinetics of newly synthesized 1-aryl-3-ethyl-3-methylsuccinimides. in Computational Biology and Chemistry. 2020;84.
doi:10.1016/j.compbiolchem.2019.107161 .

Kovačević, Strahinja, Karadzić-Banjac, Milica, Podunavac-Kuzmanović, Sanja, Milošević, Nataša, Curcić, Jelena, Vulić, Jelena, Seregelj, Vanja, Banjac, Nebojša, Ušćumlić, Gordana, "Chromatographic and computational screening of anisotropic lipophilicity and pharmacokinetics of newly synthesized 1-aryl-3-ethyl-3-methylsuccinimides" in Computational Biology and Chemistry, 84 (2020),
https://doi.org/10.1016/j.compbiolchem.2019.107161 . .

TY  - JOUR
AU  - Kovačević, Strahinja
AU  - Karadžić Banjac, Milica
AU  - Milošević, Nataša
AU  - Ćurčić, Jelena
AU  - Marjanović, Dunja
AU  - Todorović, Nemanja
AU  - Krmar, Jovana
AU  - Podunavac-Kuzmanović, Sanja
AU  - Banjac, Nebojša
AU  - Ušćumlić, Gordana
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5886
AB  - Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in or- der to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromato- graphic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by us- ing unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure–Retention Relationship (QSRR) approaches. The main aim of the conducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molec- ular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential.
PB  - Elsevier B.V.
T2  - Journal of Chromatography A
T1  - Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents
VL  - 1628
DO  - 10.1016/j.chroma.2020.461439
ER  - 

@article{
author = "Kovačević, Strahinja and Karadžić Banjac, Milica and Milošević, Nataša and Ćurčić, Jelena and Marjanović, Dunja and Todorović, Nemanja and Krmar, Jovana and Podunavac-Kuzmanović, Sanja and Banjac, Nebojša and Ušćumlić, Gordana",
year = "2020",
abstract = "Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in or- der to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromato- graphic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by us- ing unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure–Retention Relationship (QSRR) approaches. The main aim of the conducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molec- ular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential.",
publisher = "Elsevier B.V.",
journal = "Journal of Chromatography A",
title = "Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents",
volume = "1628",
doi = "10.1016/j.chroma.2020.461439"
}

Kovačević, S., Karadžić Banjac, M., Milošević, N., Ćurčić, J., Marjanović, D., Todorović, N., Krmar, J., Podunavac-Kuzmanović, S., Banjac, N.,& Ušćumlić, G.. (2020). Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents. in Journal of Chromatography A
Elsevier B.V.., 1628.
https://doi.org/10.1016/j.chroma.2020.461439

Kovačević S, Karadžić Banjac M, Milošević N, Ćurčić J, Marjanović D, Todorović N, Krmar J, Podunavac-Kuzmanović S, Banjac N, Ušćumlić G. Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents. in Journal of Chromatography A. 2020;1628.
doi:10.1016/j.chroma.2020.461439 .

Kovačević, Strahinja, Karadžić Banjac, Milica, Milošević, Nataša, Ćurčić, Jelena, Marjanović, Dunja, Todorović, Nemanja, Krmar, Jovana, Podunavac-Kuzmanović, Sanja, Banjac, Nebojša, Ušćumlić, Gordana, "Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents" in Journal of Chromatography A, 1628 (2020),
https://doi.org/10.1016/j.chroma.2020.461439 . .

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  - Radivojević, Jelena
AU  - Ivanović, Evica
AU  - Popović-Đorđević, Jelena
AU  - Trišović, Nemanja
AU  - Banjac, Nebojša
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4286
AB  - The solvent influence on absorption spectra of food azo dyes was examined by the method of Linear Solvation Energy Relationships (LSER). For this purpose, six azo dyes were used: tartrazine (E 102), ponceau 4R (E 124), azorubin (E 122), brilliant black (E 151), amaranth (E 123) and gelb orange S (E 110). Absorption spectra of dissolved azo dye have been recorded in the wavelength range of visible radiation, or from 380 to 760 nm, in eight solvent of different polarity. The choice of the solvent was limited due to the high polarity of the azo dye molecules themselves. The effect of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interaction are analysed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The linear correlation of the absorption maxima with parameters of Kamlet-Taft solvatochrome equation yielded satisfactory results.
AB  - Uticaj polarnosti rastvarača na apsorpcione spektre prehrambenih azo boja ispitivan je metodom linearne korelacije energije solvatacije (LSER). U ovu svrhu korišćeno je šest prehrambenih azo boja i to: tartrazin (E 102), ponceau 4R (E 124), azorubin (E 122), brilijant crna (E 151), amarant (E 123) i gelb oranž S (E 110). Apsorpcioni spektri rastvorenih azo boja određeni su u talasnom opsegu vidljivog zračenja, odnosno u opsegu od 380 do 760 nm, u osam rastvarača različite polarnosti. Polarnost samih boja je uticala na izbor malog broja polarnih rastvarača. Spektre ispitivanih azo boja karakteriše jedan apsorpcioni maksimum. Efekat polarnosti rastvarača i efakat vodoničnog vezivanja rastvarač-rastvorena supstanca ispitivan je primenom KamletTaftove solvatohromne jednačine. Linearna korelacija apsorbcionih maksimuma sa parametrima Kamlet-Taftove solvatohromne jednačine dala je zadovoljavajuće rezultate.
PB  - Engineering Society for Corrosion, Belgrade, Serbia
T2  - Zaštita materijala
T1  - Solvent influence on absorption spectra of food azo dyes
T1  - Uticaj rastvarača na apsorpcione spektre prehrambenih azo boja
EP  - 335
IS  - 4
SP  - 331
VL  - 60
DO  - 10.5937/zasmat1904331R
ER  - 

@article{
author = "Radivojević, Jelena and Ivanović, Evica and Popović-Đorđević, Jelena and Trišović, Nemanja and Banjac, Nebojša",
year = "2019",
abstract = "The solvent influence on absorption spectra of food azo dyes was examined by the method of Linear Solvation Energy Relationships (LSER). For this purpose, six azo dyes were used: tartrazine (E 102), ponceau 4R (E 124), azorubin (E 122), brilliant black (E 151), amaranth (E 123) and gelb orange S (E 110). Absorption spectra of dissolved azo dye have been recorded in the wavelength range of visible radiation, or from 380 to 760 nm, in eight solvent of different polarity. The choice of the solvent was limited due to the high polarity of the azo dye molecules themselves. The effect of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interaction are analysed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The linear correlation of the absorption maxima with parameters of Kamlet-Taft solvatochrome equation yielded satisfactory results., Uticaj polarnosti rastvarača na apsorpcione spektre prehrambenih azo boja ispitivan je metodom linearne korelacije energije solvatacije (LSER). U ovu svrhu korišćeno je šest prehrambenih azo boja i to: tartrazin (E 102), ponceau 4R (E 124), azorubin (E 122), brilijant crna (E 151), amarant (E 123) i gelb oranž S (E 110). Apsorpcioni spektri rastvorenih azo boja određeni su u talasnom opsegu vidljivog zračenja, odnosno u opsegu od 380 do 760 nm, u osam rastvarača različite polarnosti. Polarnost samih boja je uticala na izbor malog broja polarnih rastvarača. Spektre ispitivanih azo boja karakteriše jedan apsorpcioni maksimum. Efekat polarnosti rastvarača i efakat vodoničnog vezivanja rastvarač-rastvorena supstanca ispitivan je primenom KamletTaftove solvatohromne jednačine. Linearna korelacija apsorbcionih maksimuma sa parametrima Kamlet-Taftove solvatohromne jednačine dala je zadovoljavajuće rezultate.",
publisher = "Engineering Society for Corrosion, Belgrade, Serbia",
journal = "Zaštita materijala",
title = "Solvent influence on absorption spectra of food azo dyes, Uticaj rastvarača na apsorpcione spektre prehrambenih azo boja",
pages = "335-331",
number = "4",
volume = "60",
doi = "10.5937/zasmat1904331R"
}

Radivojević, J., Ivanović, E., Popović-Đorđević, J., Trišović, N.,& Banjac, N.. (2019). Solvent influence on absorption spectra of food azo dyes. in Zaštita materijala
Engineering Society for Corrosion, Belgrade, Serbia., 60(4), 331-335.
https://doi.org/10.5937/zasmat1904331R

Radivojević J, Ivanović E, Popović-Đorđević J, Trišović N, Banjac N. Solvent influence on absorption spectra of food azo dyes. in Zaštita materijala. 2019;60(4):331-335.
doi:10.5937/zasmat1904331R .

Radivojević, Jelena, Ivanović, Evica, Popović-Đorđević, Jelena, Trišović, Nemanja, Banjac, Nebojša, "Solvent influence on absorption spectra of food azo dyes" in Zaštita materijala, 60, no. 4 (2019):331-335,
https://doi.org/10.5937/zasmat1904331R . .

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  - 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  - Milošević, Nataša P.
AU  - Kojić, Vesna
AU  - Curcić, Jelena
AU  - Jakimov, Dimitar
AU  - Milić, Nataša
AU  - Banjac, Nebojša
AU  - Ušćumlić, Gordana
AU  - Kaliszan, Roman
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5819
AB  - Design of a new drug entity is usually preceded by analysis of quantitative structure activity (properties) relationships, QSA(P)R. Six newly synthesized succinimide derivatives have been determined for (i) in silico physico-chemical descriptors, pharmacokinetic and toxicity predictors, (ii) in vitro biological activity on four different carcinoma cell lines and on normal fetal lung cells and (iii) lipophilicity on liquid chromatography. All compounds observed were predicted for good permeability and solubility, good oral absorption rate and moderate volume of distribution as well as for modest blood brain permeation, followed by acceptable observed toxicity. In silico determined lipophilicity, permeability through jejunum and aqueous solubility were correlated with experimentally obtained lipophilic constants (by use of high pressure liquid chromatography) and linear correlations were obtained. Absorption rate and volume of distribution were predicted by chromatographic lipophilicity measurements while permeation through blood bran barrier was predicted dominantly by molecular size defined with molecular weight. Five compounds have demonstrated antiproliferative activity toward cervix carcinoma HeLa cell lines; three were cytotoxic against breast carcinoma MCF-7 cells, while one inhibited proliferation of colon carcinoma HT 29 cell lines. Only one compound was cytotoxic toward normal cell lines, while other compounds were proven as safe. Antiproliferative potential against HeLa cells was described as exponential function of lipophilicity. Based on obtained results, lead compounds were selected.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Pharmaceutical and Biomedical Analysis
T1  - Evaluation of in silico pharmacokinetic properties and in vitro cytotoxic activity of selected newly synthesized N-succinimide derivatives
EP  - 257
SP  - 252
VL  - 137
DO  - 10.1016/j.jpba.2017.01.042
ER  - 

@article{
author = "Milošević, Nataša P. and Kojić, Vesna and Curcić, Jelena and Jakimov, Dimitar and Milić, Nataša and Banjac, Nebojša and Ušćumlić, Gordana and Kaliszan, Roman",
year = "2017",
abstract = "Design of a new drug entity is usually preceded by analysis of quantitative structure activity (properties) relationships, QSA(P)R. Six newly synthesized succinimide derivatives have been determined for (i) in silico physico-chemical descriptors, pharmacokinetic and toxicity predictors, (ii) in vitro biological activity on four different carcinoma cell lines and on normal fetal lung cells and (iii) lipophilicity on liquid chromatography. All compounds observed were predicted for good permeability and solubility, good oral absorption rate and moderate volume of distribution as well as for modest blood brain permeation, followed by acceptable observed toxicity. In silico determined lipophilicity, permeability through jejunum and aqueous solubility were correlated with experimentally obtained lipophilic constants (by use of high pressure liquid chromatography) and linear correlations were obtained. Absorption rate and volume of distribution were predicted by chromatographic lipophilicity measurements while permeation through blood bran barrier was predicted dominantly by molecular size defined with molecular weight. Five compounds have demonstrated antiproliferative activity toward cervix carcinoma HeLa cell lines; three were cytotoxic against breast carcinoma MCF-7 cells, while one inhibited proliferation of colon carcinoma HT 29 cell lines. Only one compound was cytotoxic toward normal cell lines, while other compounds were proven as safe. Antiproliferative potential against HeLa cells was described as exponential function of lipophilicity. Based on obtained results, lead compounds were selected.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
title = "Evaluation of in silico pharmacokinetic properties and in vitro cytotoxic activity of selected newly synthesized N-succinimide derivatives",
pages = "257-252",
volume = "137",
doi = "10.1016/j.jpba.2017.01.042"
}

Milošević, N. P., Kojić, V., Curcić, J., Jakimov, D., Milić, N., Banjac, N., Ušćumlić, G.,& Kaliszan, R.. (2017). Evaluation of in silico pharmacokinetic properties and in vitro cytotoxic activity of selected newly synthesized N-succinimide derivatives. in Journal of Pharmaceutical and Biomedical Analysis
Elsevier Science Bv, Amsterdam., 137, 252-257.
https://doi.org/10.1016/j.jpba.2017.01.042

Milošević NP, Kojić V, Curcić J, Jakimov D, Milić N, Banjac N, Ušćumlić G, Kaliszan R. Evaluation of in silico pharmacokinetic properties and in vitro cytotoxic activity of selected newly synthesized N-succinimide derivatives. in Journal of Pharmaceutical and Biomedical Analysis. 2017;137:252-257.
doi:10.1016/j.jpba.2017.01.042 .

Milošević, Nataša P., Kojić, Vesna, Curcić, Jelena, Jakimov, Dimitar, Milić, Nataša, Banjac, Nebojša, Ušćumlić, Gordana, Kaliszan, Roman, "Evaluation of in silico pharmacokinetic properties and in vitro cytotoxic activity of selected newly synthesized N-succinimide derivatives" in Journal of Pharmaceutical and Biomedical Analysis, 137 (2017):252-257,
https://doi.org/10.1016/j.jpba.2017.01.042 . .

TY  - JOUR
AU  - Vitnik, Vesna
AU  - Vitnik, Željko
AU  - Banjac, Nebojša
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2014
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2792
AB  - This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of the FT-IR, UV and NMR spectra were reported. The equilibrium geometry, bonding features, and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) B3LYP method using 6-31G(d,p) and 6-311++G(d,p) basis set. The scaled theoretical wave-number showed very good agreement with the experimental values. The H-1 and C-13 nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge-Invariant Atomic Orbital (GIAO) method. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the sigma* and pi* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-Vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were calculated by Time-Dependent (TD-DFT) approach. To estimate chemical reactivity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of the molecule.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide
EP  - 53
SP  - 42
VL  - 117
DO  - 10.1016/j.saa.2013.07.099
ER  - 

@article{
author = "Vitnik, Vesna and Vitnik, Željko and Banjac, Nebojša and Valentić, Nataša and Ušćumlić, Gordana and Juranić, Ivan",
year = "2014",
abstract = "This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of the FT-IR, UV and NMR spectra were reported. The equilibrium geometry, bonding features, and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) B3LYP method using 6-31G(d,p) and 6-311++G(d,p) basis set. The scaled theoretical wave-number showed very good agreement with the experimental values. The H-1 and C-13 nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge-Invariant Atomic Orbital (GIAO) method. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the sigma* and pi* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-Vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were calculated by Time-Dependent (TD-DFT) approach. To estimate chemical reactivity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of the molecule.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide",
pages = "53-42",
volume = "117",
doi = "10.1016/j.saa.2013.07.099"
}

Vitnik, V., Vitnik, Ž., Banjac, N., Valentić, N., Ušćumlić, G.,& Juranić, I.. (2014). Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 117, 42-53.
https://doi.org/10.1016/j.saa.2013.07.099

Vitnik V, Vitnik Ž, Banjac N, Valentić N, Ušćumlić G, Juranić I. Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2014;117:42-53.
doi:10.1016/j.saa.2013.07.099 .

Vitnik, Vesna, Vitnik, Željko, Banjac, Nebojša, Valentić, Nataša, Ušćumlić, Gordana, Juranić, Ivan, "Quntum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 117 (2014):42-53,
https://doi.org/10.1016/j.saa.2013.07.099 . .

TY  - JOUR
AU  - Perisić-Janjić, Nada
AU  - Kaliszan, Roman
AU  - Milošević, Nataša
AU  - Ušćumlić, Gordana
AU  - Banjac, Nebojša
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5679
AB  - Reversed-phase thin-layer chromatographic (RP TLC) retention coefficients for a newly designed series of N-phenyl-3-methyl succinimide derivatives, of a rationally expected anticonvusant activity, were determined as parameters of their lipophilicity. Basic pharmacokinetic descriptors of the agents were calculated in silico with the use of the established medicinal chemistry/drug design software. Highly significant, predictive relationships were found between the chromatographic retention constants and the bioactivity descriptors, which are assumed to account for drug absorption, distribution, elimination and toxicity (ADMETox) in humans. Among the agents investigated, the compounds with halogen substituent (Compounds nos. 9-13 in Fig. 1), were identified as the best drug candidates, because of their predicted proper pharmacokinetics, and have been selected for further research and development studies on new antiepileptic drugs. At the same time, among the congeners studied these can be indicated, which should not be rationally subjected to bioactivity tests.
PB  - Elsevier, Amsterdam
T2  - Journal of Pharmaceutical and Biomedical Analysis
T1  - Chromatographic retention parameters in correlation analysis with in silico biological descriptors of a novel series of N-phenyl-3-methyl succinimide derivatives
EP  - 73
SP  - 65
VL  - 72
DO  - 10.1016/j.jpba.2012.09.006
ER  - 

@article{
author = "Perisić-Janjić, Nada and Kaliszan, Roman and Milošević, Nataša and Ušćumlić, Gordana and Banjac, Nebojša",
year = "2013",
abstract = "Reversed-phase thin-layer chromatographic (RP TLC) retention coefficients for a newly designed series of N-phenyl-3-methyl succinimide derivatives, of a rationally expected anticonvusant activity, were determined as parameters of their lipophilicity. Basic pharmacokinetic descriptors of the agents were calculated in silico with the use of the established medicinal chemistry/drug design software. Highly significant, predictive relationships were found between the chromatographic retention constants and the bioactivity descriptors, which are assumed to account for drug absorption, distribution, elimination and toxicity (ADMETox) in humans. Among the agents investigated, the compounds with halogen substituent (Compounds nos. 9-13 in Fig. 1), were identified as the best drug candidates, because of their predicted proper pharmacokinetics, and have been selected for further research and development studies on new antiepileptic drugs. At the same time, among the congeners studied these can be indicated, which should not be rationally subjected to bioactivity tests.",
publisher = "Elsevier, Amsterdam",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
title = "Chromatographic retention parameters in correlation analysis with in silico biological descriptors of a novel series of N-phenyl-3-methyl succinimide derivatives",
pages = "73-65",
volume = "72",
doi = "10.1016/j.jpba.2012.09.006"
}

Perisić-Janjić, N., Kaliszan, R., Milošević, N., Ušćumlić, G.,& Banjac, N.. (2013). Chromatographic retention parameters in correlation analysis with in silico biological descriptors of a novel series of N-phenyl-3-methyl succinimide derivatives. in Journal of Pharmaceutical and Biomedical Analysis
Elsevier, Amsterdam., 72, 65-73.
https://doi.org/10.1016/j.jpba.2012.09.006

Perisić-Janjić N, Kaliszan R, Milošević N, Ušćumlić G, Banjac N. Chromatographic retention parameters in correlation analysis with in silico biological descriptors of a novel series of N-phenyl-3-methyl succinimide derivatives. in Journal of Pharmaceutical and Biomedical Analysis. 2013;72:65-73.
doi:10.1016/j.jpba.2012.09.006 .

Perisić-Janjić, Nada, Kaliszan, Roman, Milošević, Nataša, Ušćumlić, Gordana, Banjac, Nebojša, "Chromatographic retention parameters in correlation analysis with in silico biological descriptors of a novel series of N-phenyl-3-methyl succinimide derivatives" in Journal of Pharmaceutical and Biomedical Analysis, 72 (2013):65-73,
https://doi.org/10.1016/j.jpba.2012.09.006 . .

TY  - JOUR
AU  - Hmuda, Sleem F.
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Božić, Bojan
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2364
AB  - To obtain insight into the interactions of potential anticonvulsant drugs with their surroundings, two series of 5-methyl-5-aryland 5-ethyl-5--arylhydantoins were synthesized and their absorption spectra were recorded in the region from 200 to 400 nm in a set of selected solvents. The effects of solvent dipolarity/polarizability and solvent-solute hydrogen bonding interactions on the absorption maxima shifts were analyzed by means of the linear solvation energy relationship (LSER) concept of Kamlet and Taft. The ratio of the contributions of specific and non-specific solvent-solute interactions were correlated with the corresponding absorption, distribution, metabolism, and excretion (ADME) properties of the studied compounds. The correlation equations were combined with different physicochemical parameters to generate new equations, which demonstrate the reasonable relationships between the solvent-solute interactions and the structure-activity parameters.
AB  - Da bi se procenio način na koji potencijalni antikonvulzivni lekovi interaguju sa svojim okruženjem, dve serije 5-metil-5-(4-supstituisanih fenil)i 5-etil-5-(4supstituisanih fenil)hidantoina su sintetisane i njihovi apsorpcioni spektri su snimljeni u intervalu talasnih dužina od 200 do 400 nm u setu izabranih rastvarača. Efekti dipolarnosti/polarizabilnosti rastvarača i vodoničnog vezivanja između molekula rastvarača i rastvorene supstance na pomeranje apsorpcionih maksimuma analizirani su primenom metoda linearne korelacije energije solvatacije (LSER), odnosno Kamlet-Taftovom jednačinom. Odnos doprinosa specifičnih i nespecifičnih interakcija između molekula rastvarača i rastvorene supstance korelisani su sa odgovarajućim ADME svojstvima proučavanih jedinjenja. Korelacione jednačine su dalje kombinovane sa različitim fizičko-hemijskim parametrima pri čemu su dobijene nove jednačine koje na zadovoljavajući način opisuju odnose između interakcija između molekula rastvarača i rastvorene supstance i svojstava koja određuju njihovu aktivnost u organizmu.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Solvent effects on the absorption spectra of potentially pharmacologically active 5-alkyl-5-arylhydantoins: A structure-property relationship study
T1  - Uticaj rastvarača na apsorpcione spektre potencijalno farmakološki aktivnih 5-alkil-5-arilhidantoinaproučavanje odnosa strukture i svojstava
EP  - 637
IS  - 5
SP  - 627
VL  - 78
UR  - https://hdl.handle.net/21.15107/rcub_technorep_2364
ER  - 

@article{
author = "Hmuda, Sleem F. and Banjac, Nebojša and Trišović, Nemanja and Božić, Bojan and Valentić, Nataša and Ušćumlić, Gordana",
year = "2013",
abstract = "To obtain insight into the interactions of potential anticonvulsant drugs with their surroundings, two series of 5-methyl-5-aryland 5-ethyl-5--arylhydantoins were synthesized and their absorption spectra were recorded in the region from 200 to 400 nm in a set of selected solvents. The effects of solvent dipolarity/polarizability and solvent-solute hydrogen bonding interactions on the absorption maxima shifts were analyzed by means of the linear solvation energy relationship (LSER) concept of Kamlet and Taft. The ratio of the contributions of specific and non-specific solvent-solute interactions were correlated with the corresponding absorption, distribution, metabolism, and excretion (ADME) properties of the studied compounds. The correlation equations were combined with different physicochemical parameters to generate new equations, which demonstrate the reasonable relationships between the solvent-solute interactions and the structure-activity parameters., Da bi se procenio način na koji potencijalni antikonvulzivni lekovi interaguju sa svojim okruženjem, dve serije 5-metil-5-(4-supstituisanih fenil)i 5-etil-5-(4supstituisanih fenil)hidantoina su sintetisane i njihovi apsorpcioni spektri su snimljeni u intervalu talasnih dužina od 200 do 400 nm u setu izabranih rastvarača. Efekti dipolarnosti/polarizabilnosti rastvarača i vodoničnog vezivanja između molekula rastvarača i rastvorene supstance na pomeranje apsorpcionih maksimuma analizirani su primenom metoda linearne korelacije energije solvatacije (LSER), odnosno Kamlet-Taftovom jednačinom. Odnos doprinosa specifičnih i nespecifičnih interakcija između molekula rastvarača i rastvorene supstance korelisani su sa odgovarajućim ADME svojstvima proučavanih jedinjenja. Korelacione jednačine su dalje kombinovane sa različitim fizičko-hemijskim parametrima pri čemu su dobijene nove jednačine koje na zadovoljavajući način opisuju odnose između interakcija između molekula rastvarača i rastvorene supstance i svojstava koja određuju njihovu aktivnost u organizmu.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Solvent effects on the absorption spectra of potentially pharmacologically active 5-alkyl-5-arylhydantoins: A structure-property relationship study, Uticaj rastvarača na apsorpcione spektre potencijalno farmakološki aktivnih 5-alkil-5-arilhidantoinaproučavanje odnosa strukture i svojstava",
pages = "637-627",
number = "5",
volume = "78",
url = "https://hdl.handle.net/21.15107/rcub_technorep_2364"
}

Hmuda, S. F., Banjac, N., Trišović, N., Božić, B., Valentić, N.,& Ušćumlić, G.. (2013). Solvent effects on the absorption spectra of potentially pharmacologically active 5-alkyl-5-arylhydantoins: A structure-property relationship study. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 78(5), 627-637.
https://hdl.handle.net/21.15107/rcub_technorep_2364

Hmuda SF, Banjac N, Trišović N, Božić B, Valentić N, Ušćumlić G. Solvent effects on the absorption spectra of potentially pharmacologically active 5-alkyl-5-arylhydantoins: A structure-property relationship study. in Journal of the Serbian Chemical Society. 2013;78(5):627-637.
https://hdl.handle.net/21.15107/rcub_technorep_2364 .

Hmuda, Sleem F., Banjac, Nebojša, Trišović, Nemanja, Božić, Bojan, Valentić, Nataša, Ušćumlić, Gordana, "Solvent effects on the absorption spectra of potentially pharmacologically active 5-alkyl-5-arylhydantoins: A structure-property relationship study" in Journal of the Serbian Chemical Society, 78, no. 5 (2013):627-637,
https://hdl.handle.net/21.15107/rcub_technorep_2364 .

TY  - JOUR
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Vitnik, Željko
AU  - Vitnik, Vesna
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2458
AB  - Two series of 1-aryl-3-phenyl- and 1-aryl-3,3-diphenylpyrrolidine-2,5-diones were synthesized and their solvatochromic properties were studied in a set of 15 solvents of different polarity. The effect of specific and non-specific solvent-solute interactions on the position of their absorption bands was evaluated by using the solvent parameter sets of Kamlet and Taft. The interpretation of the effect of different substituent patterns on the solvatochromic properties of the investigated compounds was based on quantum chemical calculations performed by the density functional theory (DFT)/CAM-B3LYP method using the 6-311G(d,p) basis set. The theoretical absorption frequencies show very good agreement with the experimental values. The energy gaps between the HOMO and LUMO orbitals were also analyzed. It is demonstrated that different substituents change the conjugation effect and further determine the pathways of intramolecular charge transfer.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer
EP  - 1535
IS  - 10
SP  - 1525
VL  - 144
DO  - 10.1007/s00706-013-1052-1
ER  - 

@article{
author = "Banjac, Nebojša and Trišović, Nemanja and Vitnik, Željko and Vitnik, Vesna and Valentić, Nataša and Ušćumlić, Gordana and Juranić, Ivan",
year = "2013",
abstract = "Two series of 1-aryl-3-phenyl- and 1-aryl-3,3-diphenylpyrrolidine-2,5-diones were synthesized and their solvatochromic properties were studied in a set of 15 solvents of different polarity. The effect of specific and non-specific solvent-solute interactions on the position of their absorption bands was evaluated by using the solvent parameter sets of Kamlet and Taft. The interpretation of the effect of different substituent patterns on the solvatochromic properties of the investigated compounds was based on quantum chemical calculations performed by the density functional theory (DFT)/CAM-B3LYP method using the 6-311G(d,p) basis set. The theoretical absorption frequencies show very good agreement with the experimental values. The energy gaps between the HOMO and LUMO orbitals were also analyzed. It is demonstrated that different substituents change the conjugation effect and further determine the pathways of intramolecular charge transfer.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer",
pages = "1535-1525",
number = "10",
volume = "144",
doi = "10.1007/s00706-013-1052-1"
}

Banjac, N., Trišović, N., Vitnik, Ž., Vitnik, V., Valentić, N., Ušćumlić, G.,& Juranić, I.. (2013). Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer. in Monatshefte Fur Chemie
Springer Wien, Wien., 144(10), 1525-1535.
https://doi.org/10.1007/s00706-013-1052-1

Banjac N, Trišović N, Vitnik Ž, Vitnik V, Valentić N, Ušćumlić G, Juranić I. Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer. in Monatshefte Fur Chemie. 2013;144(10):1525-1535.
doi:10.1007/s00706-013-1052-1 .

Banjac, Nebojša, Trišović, Nemanja, Vitnik, Željko, Vitnik, Vesna, Valentić, Nataša, Ušćumlić, Gordana, Juranić, Ivan, "Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer" in Monatshefte Fur Chemie, 144, no. 10 (2013):1525-1535,
https://doi.org/10.1007/s00706-013-1052-1 . .

TY  - JOUR
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
AU  - Petrović, Slobodan
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1809
AB  - Succinimide is a cycle imide of succinic acid that is present in numerous biologically active compounds including anticonvulsants, antitremor, anti-Parkinson's agents. This paper describes different ways of synthesis of succinimide derivatives, their physical properties and reactivity. Also, the most widely used succinimide anticonvulsants and the analysis of structure-activity relationships of anticonvulsant drugs in terms of lipophilicity and hydrogen bonding are presented here.
AB  - Sukcinimidi su ciklični imidi ćilibarne (sukcinske) kiseline, koji se primenjuju u medicini kao antikonvulzivi. Mogu se, takođe, koristiti u tretiranju drugih cerebralnih oboljenja, kao na primer tremora, Parkinsonove bolesti, itd. U ovom radu su prikazani postupci dobijanja sukcinimida, koji se upotrebljavaju u medicini, kao i njihova struktura i fizičke i hemijske osobine. Razmatran je uticaj strukture na antikonvulzivnu aktivnost različitih derivata sukcinimida sa aspekta lipofilnosti i mogućnosti uspostavljanja vodoničnih veza.
PB  - Association of Chemical Engineers of Serbia
T2  - Hemijska industrija
T1  - Succinimides: Synthesis, properties and anticonvulsant activity
T1  - Sukcinimidi - dobijanje, svojstva i antikonvulzivna aktivnost
EP  - 453
IS  - 4
SP  - 439
VL  - 65
DO  - 10.2298/HEMIND110224030B
ER  - 

@article{
author = "Banjac, Nebojša and Trišović, Nemanja and Valentić, Nataša and Ušćumlić, Gordana and Petrović, Slobodan",
year = "2011",
abstract = "Succinimide is a cycle imide of succinic acid that is present in numerous biologically active compounds including anticonvulsants, antitremor, anti-Parkinson's agents. This paper describes different ways of synthesis of succinimide derivatives, their physical properties and reactivity. Also, the most widely used succinimide anticonvulsants and the analysis of structure-activity relationships of anticonvulsant drugs in terms of lipophilicity and hydrogen bonding are presented here., Sukcinimidi su ciklični imidi ćilibarne (sukcinske) kiseline, koji se primenjuju u medicini kao antikonvulzivi. Mogu se, takođe, koristiti u tretiranju drugih cerebralnih oboljenja, kao na primer tremora, Parkinsonove bolesti, itd. U ovom radu su prikazani postupci dobijanja sukcinimida, koji se upotrebljavaju u medicini, kao i njihova struktura i fizičke i hemijske osobine. Razmatran je uticaj strukture na antikonvulzivnu aktivnost različitih derivata sukcinimida sa aspekta lipofilnosti i mogućnosti uspostavljanja vodoničnih veza.",
publisher = "Association of Chemical Engineers of Serbia",
journal = "Hemijska industrija",
title = "Succinimides: Synthesis, properties and anticonvulsant activity, Sukcinimidi - dobijanje, svojstva i antikonvulzivna aktivnost",
pages = "453-439",
number = "4",
volume = "65",
doi = "10.2298/HEMIND110224030B"
}

Banjac, N., Trišović, N., Valentić, N., Ušćumlić, G.,& Petrović, S.. (2011). Succinimides: Synthesis, properties and anticonvulsant activity. in Hemijska industrija
Association of Chemical Engineers of Serbia., 65(4), 439-453.
https://doi.org/10.2298/HEMIND110224030B

Banjac N, Trišović N, Valentić N, Ušćumlić G, Petrović S. Succinimides: Synthesis, properties and anticonvulsant activity. in Hemijska industrija. 2011;65(4):439-453.
doi:10.2298/HEMIND110224030B .

Banjac, Nebojša, Trišović, Nemanja, Valentić, Nataša, Ušćumlić, Gordana, Petrović, Slobodan, "Succinimides: Synthesis, properties and anticonvulsant activity" in Hemijska industrija, 65, no. 4 (2011):439-453,
https://doi.org/10.2298/HEMIND110224030B . .

TY  - JOUR
AU  - Divjak, Natalija D.
AU  - Banjac, Nebojša
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1388
AB  - Several 5-methyl-5-(3- or 4-substituted phenyl)hydantoins were prepared and their ultraviolet absorption spectra were recorded in the region 200-400 nm in twelve solvents of different polarity. The effect of solvent dipolarity/ polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of log P values with Advanced Chemistry Development Software. The calculated values of log P were correlated with the contribution of hydrogen bond donor-solvent interactions. By employing the thus obtained linear dependence, the pharmacological activity of the studied hydantoin derivatives is discussed.
AB  - U okviru proučavanja uticaja strukture na farmakološku aktivnost hidantoina, u ovom radu sintetizovano je četrnaest jedinjenja i određeni su njihovi UV apsorpcioni maksimumi u dvanaest rastvarača različite polarnosti. Apsorpcioni maksimumi su korelisani Kamlet-Taftovom (Kamlet-Taft) solvatohromnom jednačinom i izvršena je kvantitativna procena proton-donorskih i proton-akceptorskih karakteristika proučavanih jedinjenja, koje su od velikog značaja za njihovu fiziološku aktivnost. Izračunate vrednosti log P korelisane su sa udelom proton-donorskih karakteristika rastvarača i na osnovu dobijenih linearnih zavisnosti za molekule sa umerenim elktron-donorskim i elektron-akceptorskim supstituentima, diskutovana je veza između farmakološke aktivnosti hidantoina i interakcija sa molekulima rastvarača.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins
T1  - Sinteza, struktura i solvatohromizam 5-metil-5-(3- ili 4-supstituisanih fenil)-hidantoina
EP  - 1205
IS  - 11
SP  - 1195
VL  - 74
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1388
ER  - 

@article{
author = "Divjak, Natalija D. and Banjac, Nebojša and Valentić, Nataša and Ušćumlić, Gordana",
year = "2009",
abstract = "Several 5-methyl-5-(3- or 4-substituted phenyl)hydantoins were prepared and their ultraviolet absorption spectra were recorded in the region 200-400 nm in twelve solvents of different polarity. The effect of solvent dipolarity/ polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of log P values with Advanced Chemistry Development Software. The calculated values of log P were correlated with the contribution of hydrogen bond donor-solvent interactions. By employing the thus obtained linear dependence, the pharmacological activity of the studied hydantoin derivatives is discussed., U okviru proučavanja uticaja strukture na farmakološku aktivnost hidantoina, u ovom radu sintetizovano je četrnaest jedinjenja i određeni su njihovi UV apsorpcioni maksimumi u dvanaest rastvarača različite polarnosti. Apsorpcioni maksimumi su korelisani Kamlet-Taftovom (Kamlet-Taft) solvatohromnom jednačinom i izvršena je kvantitativna procena proton-donorskih i proton-akceptorskih karakteristika proučavanih jedinjenja, koje su od velikog značaja za njihovu fiziološku aktivnost. Izračunate vrednosti log P korelisane su sa udelom proton-donorskih karakteristika rastvarača i na osnovu dobijenih linearnih zavisnosti za molekule sa umerenim elktron-donorskim i elektron-akceptorskim supstituentima, diskutovana je veza između farmakološke aktivnosti hidantoina i interakcija sa molekulima rastvarača.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins, Sinteza, struktura i solvatohromizam 5-metil-5-(3- ili 4-supstituisanih fenil)-hidantoina",
pages = "1205-1195",
number = "11",
volume = "74",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1388"
}

Divjak, N. D., Banjac, N., Valentić, N.,& Ušćumlić, G.. (2009). Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 74(11), 1195-1205.
https://hdl.handle.net/21.15107/rcub_technorep_1388

Divjak ND, Banjac N, Valentić N, Ušćumlić G. Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins. in Journal of the Serbian Chemical Society. 2009;74(11):1195-1205.
https://hdl.handle.net/21.15107/rcub_technorep_1388 .

Divjak, Natalija D., Banjac, Nebojša, Valentić, Nataša, Ušćumlić, Gordana, "Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins" in Journal of the Serbian Chemical Society, 74, no. 11 (2009):1195-1205,
https://hdl.handle.net/21.15107/rcub_technorep_1388 .

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Banjac, Nebojša
AU  - Valentić, Nataša
AU  - Ušćumlić, Gordana
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1494
AB  - The absorption spectra of nine compounds structurally related to phenytoin (5,5-diphenylhydantoin) were recorded in twelve solvents over the range of 200 to 400 nm. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of their log (10) P values. The calculated values of log (10) P were correlated with the ratio of the contributions of specific and non-specific solute/solvent interactions. The correlation equations were combined with the corresponding ED50 values to generate new equations that demonstrate exact relationship between solute/solvent interactions and the structure-activity parameters.
PB  - Springer/Plenum Publishers, New York
T2  - Journal of Solution Chemistry
T1  - Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs
EP  - 208
IS  - 2
SP  - 199
VL  - 38
DO  - 10.1007/s10953-008-9367-y
ER  - 

@article{
author = "Trišović, Nemanja and Banjac, Nebojša and Valentić, Nataša and Ušćumlić, Gordana",
year = "2009",
abstract = "The absorption spectra of nine compounds structurally related to phenytoin (5,5-diphenylhydantoin) were recorded in twelve solvents over the range of 200 to 400 nm. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by calculation of their log (10) P values. The calculated values of log (10) P were correlated with the ratio of the contributions of specific and non-specific solute/solvent interactions. The correlation equations were combined with the corresponding ED50 values to generate new equations that demonstrate exact relationship between solute/solvent interactions and the structure-activity parameters.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Journal of Solution Chemistry",
title = "Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs",
pages = "208-199",
number = "2",
volume = "38",
doi = "10.1007/s10953-008-9367-y"
}

Trišović, N., Banjac, N., Valentić, N.,& Ušćumlić, G.. (2009). Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs. in Journal of Solution Chemistry
Springer/Plenum Publishers, New York., 38(2), 199-208.
https://doi.org/10.1007/s10953-008-9367-y

Trišović N, Banjac N, Valentić N, Ušćumlić G. Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs. in Journal of Solution Chemistry. 2009;38(2):199-208.
doi:10.1007/s10953-008-9367-y .

Trišović, Nemanja, Banjac, Nebojša, Valentić, Nataša, Ušćumlić, Gordana, "Solvent Effects on the Structure-Activity Relationship of Phenytoin-like Anticonvulsant Drugs" in Journal of Solution Chemistry, 38, no. 2 (2009):199-208,
https://doi.org/10.1007/s10953-008-9367-y . .

TY  - JOUR
AU  - Banjac, Nebojša
AU  - Ušćumlić, Gordana
AU  - Valentić, Nataša
AU  - Mijin, Dušan
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1098
AB  - Absorption spectra of eight 3-substituted-5,5-diphenylhydantoins have been recorded in fourteen solvents in the range 200-100 nm. The effect of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions are analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by the calculation of log(10) P values with the Advanced Chemistry Development Software. The calculated values of log(10) P were correlated with the ratio of the contributions of specific solvent interactions, and, by employing the linear dependence thus obtained, the pharmacological activity of the studied hydantoin derivatives is discussed.
PB  - Springer/Plenum Publishers, New York
T2  - Journal of Solution Chemistry
T1  - Solvent effects on the structure-activity relationship of pharmacological active 3-substituted-5,5-diphenylhydantoins
EP  - 878
IS  - 7
SP  - 869
VL  - 36
DO  - 10.1007/s10953-007-9153-2
ER  - 

@article{
author = "Banjac, Nebojša and Ušćumlić, Gordana and Valentić, Nataša and Mijin, Dušan",
year = "2007",
abstract = "Absorption spectra of eight 3-substituted-5,5-diphenylhydantoins have been recorded in fourteen solvents in the range 200-100 nm. The effect of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions are analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The lipophilic activity of the investigated hydantoins was estimated by the calculation of log(10) P values with the Advanced Chemistry Development Software. The calculated values of log(10) P were correlated with the ratio of the contributions of specific solvent interactions, and, by employing the linear dependence thus obtained, the pharmacological activity of the studied hydantoin derivatives is discussed.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Journal of Solution Chemistry",
title = "Solvent effects on the structure-activity relationship of pharmacological active 3-substituted-5,5-diphenylhydantoins",
pages = "878-869",
number = "7",
volume = "36",
doi = "10.1007/s10953-007-9153-2"
}

Banjac, N., Ušćumlić, G., Valentić, N.,& Mijin, D.. (2007). Solvent effects on the structure-activity relationship of pharmacological active 3-substituted-5,5-diphenylhydantoins. in Journal of Solution Chemistry
Springer/Plenum Publishers, New York., 36(7), 869-878.
https://doi.org/10.1007/s10953-007-9153-2

Banjac N, Ušćumlić G, Valentić N, Mijin D. Solvent effects on the structure-activity relationship of pharmacological active 3-substituted-5,5-diphenylhydantoins. in Journal of Solution Chemistry. 2007;36(7):869-878.
doi:10.1007/s10953-007-9153-2 .

Banjac, Nebojša, Ušćumlić, Gordana, Valentić, Nataša, Mijin, Dušan, "Solvent effects on the structure-activity relationship of pharmacological active 3-substituted-5,5-diphenylhydantoins" in Journal of Solution Chemistry, 36, no. 7 (2007):869-878,
https://doi.org/10.1007/s10953-007-9153-2 . .