TY  - CONF
AU  - Mrđan, Gorana
AU  - Mijin, Dušan
AU  - Lađarević, Jelena
AU  - Vaštag, Đenđi
AU  - Apostolov, Suzana
AU  - Matijević, Borko
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6736
AB  - Azo boje predstavljaju veoma značajnu grupu jedinjenja budući da više od 50% sintetičkih boja pripada upravo ovim strukturama. Zahvaljujući jednostavnoj i ekonomičnoj sintezi, kao i velikoj otpornosti prema svetlosti i pranju lako su pronašle primenu u raznim granama industrije. Pored uobičajene upotrebe u tekstilnoj, kozmetičkoj i prehrambenoj industriji, azo boje se koriste i za izradu solarnih ćelija, LCD ekrana, fotografskih, itd. Neka jedinjenja iz ove grupe su pokazala i dobru biološku aktivnost, a po najnovijim istraživanjima mogu se primeniti u lečenju tumora. U ovom radu je ispitan uticaj rastvarača na apsorpcione spektre odabranih arilazo piridonskih boja radi dobijanja informacija o solvatohromnim osobinama koje mogu imati veliki uticaj na potencijalnu biološku aktivnost. Spektri sedam derivata 5-(disupstituisanih fenilazo)-3-cijano-6-hidroksi-4-metil-2-piridona snimljeni su u deset rastvarača različitih svojstava u opsegu talasnih dužina 300-600 nm. Kvantitativna analiza interakcija između odabranih azo boja i okolnog medijuma je urađena primenom odgovarajućeg solvatohromnog modela metodom višestruke linerane korelacije solvatohromnih energija (LSER metoda).
AB  - Azo dyes represent a very important group of compounds since
more than 50% of synthetic dyes belong to these structures. Because of their
economic synthesis, as well as great light and washing resistance, they have
easily found applications in industry. In addition to the use in textile, cosmetic, and food industries, azo dyes are also used for making solar cells, LCD
screens, photographic systems, etc. Some derivatives have shown good biological activity, and they can be used in the treatment of tumors. In this paper, the
influence of solvents on the absorption spectra of selected aryl azo pyridone
dyes was investigated to obtain information on solvatochromic properties that
can have a great influence on potential biological activity. Spectra of seven
5-(disubstituted phenyl azo)-3-cyano-6-hydroxy-4-methyl-2-pyridones were
recorded in ten solvents of different properties in the wavelength range 300-
600 nm. Quantitative analysis of interactions between selected azo dyes and
the surrounding medium was performed using the corresponding solvatochromic model by the method of multiple linear correlations of solvatochromic
energies.
PB  - Banja Luka : Akademija nauka i umjetnosti Republike Srpske
C3  - Zbornik radova / 15. Međunarodni naučni skup „Savremeni materijali 2022”, Banja Luka, 8-9. septembar 2022
T1  - PROUČAVANJE SOLVATOHROMNIH SVOJSTAVA ODABRANIH ARILAZO PIRIDONSKIH BOJA
T1  - STUDY OF SOLVATOCHROMIC PROPERTIES OF SELECTED ARYL AZO PYRIDONE DYES
EP  - 89
SP  - 77
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6736
ER  - 

@conference{
author = "Mrđan, Gorana and Mijin, Dušan and Lađarević, Jelena and Vaštag, Đenđi and Apostolov, Suzana and Matijević, Borko",
year = "2023",
abstract = "Azo boje predstavljaju veoma značajnu grupu jedinjenja budući da više od 50% sintetičkih boja pripada upravo ovim strukturama. Zahvaljujući jednostavnoj i ekonomičnoj sintezi, kao i velikoj otpornosti prema svetlosti i pranju lako su pronašle primenu u raznim granama industrije. Pored uobičajene upotrebe u tekstilnoj, kozmetičkoj i prehrambenoj industriji, azo boje se koriste i za izradu solarnih ćelija, LCD ekrana, fotografskih, itd. Neka jedinjenja iz ove grupe su pokazala i dobru biološku aktivnost, a po najnovijim istraživanjima mogu se primeniti u lečenju tumora. U ovom radu je ispitan uticaj rastvarača na apsorpcione spektre odabranih arilazo piridonskih boja radi dobijanja informacija o solvatohromnim osobinama koje mogu imati veliki uticaj na potencijalnu biološku aktivnost. Spektri sedam derivata 5-(disupstituisanih fenilazo)-3-cijano-6-hidroksi-4-metil-2-piridona snimljeni su u deset rastvarača različitih svojstava u opsegu talasnih dužina 300-600 nm. Kvantitativna analiza interakcija između odabranih azo boja i okolnog medijuma je urađena primenom odgovarajućeg solvatohromnog modela metodom višestruke linerane korelacije solvatohromnih energija (LSER metoda)., Azo dyes represent a very important group of compounds since
more than 50% of synthetic dyes belong to these structures. Because of their
economic synthesis, as well as great light and washing resistance, they have
easily found applications in industry. In addition to the use in textile, cosmetic, and food industries, azo dyes are also used for making solar cells, LCD
screens, photographic systems, etc. Some derivatives have shown good biological activity, and they can be used in the treatment of tumors. In this paper, the
influence of solvents on the absorption spectra of selected aryl azo pyridone
dyes was investigated to obtain information on solvatochromic properties that
can have a great influence on potential biological activity. Spectra of seven
5-(disubstituted phenyl azo)-3-cyano-6-hydroxy-4-methyl-2-pyridones were
recorded in ten solvents of different properties in the wavelength range 300-
600 nm. Quantitative analysis of interactions between selected azo dyes and
the surrounding medium was performed using the corresponding solvatochromic model by the method of multiple linear correlations of solvatochromic
energies.",
publisher = "Banja Luka : Akademija nauka i umjetnosti Republike Srpske",
journal = "Zbornik radova / 15. Međunarodni naučni skup „Savremeni materijali 2022”, Banja Luka, 8-9. septembar 2022",
title = "PROUČAVANJE SOLVATOHROMNIH SVOJSTAVA ODABRANIH ARILAZO PIRIDONSKIH BOJA, STUDY OF SOLVATOCHROMIC PROPERTIES OF SELECTED ARYL AZO PYRIDONE DYES",
pages = "89-77",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6736"
}

Mrđan, G., Mijin, D., Lađarević, J., Vaštag, Đ., Apostolov, S.,& Matijević, B.. (2023). PROUČAVANJE SOLVATOHROMNIH SVOJSTAVA ODABRANIH ARILAZO PIRIDONSKIH BOJA. in Zbornik radova / 15. Međunarodni naučni skup „Savremeni materijali 2022”, Banja Luka, 8-9. septembar 2022
Banja Luka : Akademija nauka i umjetnosti Republike Srpske., 77-89.
https://hdl.handle.net/21.15107/rcub_technorep_6736

Mrđan G, Mijin D, Lađarević J, Vaštag Đ, Apostolov S, Matijević B. PROUČAVANJE SOLVATOHROMNIH SVOJSTAVA ODABRANIH ARILAZO PIRIDONSKIH BOJA. in Zbornik radova / 15. Međunarodni naučni skup „Savremeni materijali 2022”, Banja Luka, 8-9. septembar 2022. 2023;:77-89.
https://hdl.handle.net/21.15107/rcub_technorep_6736 .

Mrđan, Gorana, Mijin, Dušan, Lađarević, Jelena, Vaštag, Đenđi, Apostolov, Suzana, Matijević, Borko, "PROUČAVANJE SOLVATOHROMNIH SVOJSTAVA ODABRANIH ARILAZO PIRIDONSKIH BOJA" in Zbornik radova / 15. Međunarodni naučni skup „Savremeni materijali 2022”, Banja Luka, 8-9. septembar 2022 (2023):77-89,
https://hdl.handle.net/21.15107/rcub_technorep_6736 .

TY  - CONF
AU  - Matijević, Borko
AU  - Mrđan, Gorana
AU  - Mijin, Dušan
AU  - Lađarević, Jelena
AU  - Apostolov, Suzana
AU  - Vaštag, Đenđi
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6735
AB  - Pyridone aryl azo dyes belong to a class of compounds that have wide application, not only as
agents for coloring various materials in many branches of the industry but also in medicine as
biologically active compounds. It has been proven that they have anti-tumor, anti-inflammatory,
and anti-tuberculosis activity and are widely used for therapeutic purposes. Their application can
highly depend on the inter- or intra- molecular interactions that occur between the dissolved
compound and the surrounding medium. Therefore, the study of these interactions is of great
importance for newly synthesized compounds. The spectrophotometric method can be used to
examine intermolecular interactions thoroughly by studying the solvatochromic properties of newly
synthesized compounds in different molecular environments. To this end, absorption spectra of
seven newly synthesized aryl azo pyridone dyes based on 5-((disubstituted phenyl)diazenyl)-6-
hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile were recorded in ten solvents of
different properties. The spectra were recorded in the range from 300 to 600 nm and showed one
absorption maximum. By applying different models based on the principle of multiple linear
correlations of solvatochromic energies (LSER method), information about the effects of certain
interactions that take place between the tested compounds and the surrounding medium were
obtained.
PB  - Banja Luka : University in Banjaluka, Faculty of Technology
C3  - Book of Abstracts / XIV Conference of Chemists, Technologists and Environmentalists of Republic of Srpska, Banja Luka, October 21-22, 2022
T1  - SOLVATOCHROMIC PROPERTIES OF NEWLY SYNTHESIZED ARYL AZO PYRIDONE DYES
SP  - 32
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6735
ER  - 

@conference{
author = "Matijević, Borko and Mrđan, Gorana and Mijin, Dušan and Lađarević, Jelena and Apostolov, Suzana and Vaštag, Đenđi",
year = "2022",
abstract = "Pyridone aryl azo dyes belong to a class of compounds that have wide application, not only as
agents for coloring various materials in many branches of the industry but also in medicine as
biologically active compounds. It has been proven that they have anti-tumor, anti-inflammatory,
and anti-tuberculosis activity and are widely used for therapeutic purposes. Their application can
highly depend on the inter- or intra- molecular interactions that occur between the dissolved
compound and the surrounding medium. Therefore, the study of these interactions is of great
importance for newly synthesized compounds. The spectrophotometric method can be used to
examine intermolecular interactions thoroughly by studying the solvatochromic properties of newly
synthesized compounds in different molecular environments. To this end, absorption spectra of
seven newly synthesized aryl azo pyridone dyes based on 5-((disubstituted phenyl)diazenyl)-6-
hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile were recorded in ten solvents of
different properties. The spectra were recorded in the range from 300 to 600 nm and showed one
absorption maximum. By applying different models based on the principle of multiple linear
correlations of solvatochromic energies (LSER method), information about the effects of certain
interactions that take place between the tested compounds and the surrounding medium were
obtained.",
publisher = "Banja Luka : University in Banjaluka, Faculty of Technology",
journal = "Book of Abstracts / XIV Conference of Chemists, Technologists and Environmentalists of Republic of Srpska, Banja Luka, October 21-22, 2022",
title = "SOLVATOCHROMIC PROPERTIES OF NEWLY SYNTHESIZED ARYL AZO PYRIDONE DYES",
pages = "32",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6735"
}

Matijević, B., Mrđan, G., Mijin, D., Lađarević, J., Apostolov, S.,& Vaštag, Đ.. (2022). SOLVATOCHROMIC PROPERTIES OF NEWLY SYNTHESIZED ARYL AZO PYRIDONE DYES. in Book of Abstracts / XIV Conference of Chemists, Technologists and Environmentalists of Republic of Srpska, Banja Luka, October 21-22, 2022
Banja Luka : University in Banjaluka, Faculty of Technology., 32.
https://hdl.handle.net/21.15107/rcub_technorep_6735

Matijević B, Mrđan G, Mijin D, Lađarević J, Apostolov S, Vaštag Đ. SOLVATOCHROMIC PROPERTIES OF NEWLY SYNTHESIZED ARYL AZO PYRIDONE DYES. in Book of Abstracts / XIV Conference of Chemists, Technologists and Environmentalists of Republic of Srpska, Banja Luka, October 21-22, 2022. 2022;:32.
https://hdl.handle.net/21.15107/rcub_technorep_6735 .

Matijević, Borko, Mrđan, Gorana, Mijin, Dušan, Lađarević, Jelena, Apostolov, Suzana, Vaštag, Đenđi, "SOLVATOCHROMIC PROPERTIES OF NEWLY SYNTHESIZED ARYL AZO PYRIDONE DYES" in Book of Abstracts / XIV Conference of Chemists, Technologists and Environmentalists of Republic of Srpska, Banja Luka, October 21-22, 2022 (2022):32,
https://hdl.handle.net/21.15107/rcub_technorep_6735 .

TY  - JOUR
AU  - Apostolov, Suzana
AU  - Vastag, Gyongyi
AU  - Matijević, Borko M.
AU  - Đaković-Sekulić, Tatjana
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4576
AB  - Biological activity of a molecule is closely related to its lipophilicity. This significant parameter was determined for a group of potentially bioactive N-(4-phenylmonosubstituted)-2-cyanoacetamides applying thin-layer chromatography on reversed phase (RP-TLC) in mixtures of water and two organic modifiers separately, i-propanol and dioxane. The effect of the chemical structure of derivatives and the influence of the applied organic modifier on their retention were studied. The determined chromatographic retention constants, R-M(0), and the chromatographic parameter, m, of compounds were correlated with software calculated partition coefficients, log P as the standard measure of lipophilicity and with different pharmacokinetic predictors applying classical linear and multiple regression analysis. By classical linear regression analysis in both water-modifier systems only R-M(0)-log P and m-log P correlations were established (average r, 0.909 and 0.826). All studied relationships were enhanced by molecular descriptors that fulfilled the modified Lipinski's rule of five. Thereby, the performed multiple regression analysis gave better correlations (for R-M(0)-log P and m-log P average r(2), 0.994 and 0.993; for R-M(0)-pharmacokinetic parameters and m-pharmacokinetic parameters average r(2) 0.978 and 0.980). The obtained results indicate that the chromatographic parameters, R-M(0) and m determined by RP-TLC at given conditions could be used successfully for the description of lipophilicity and the evaluation of pharmacokinetic properties of N-(4-phenylmonosubstituted)-2-cyanoacetamides as potential bioactive molecules.
T2  - Journal of the Chilean Chemical Society
T1  - Thin-layer chromatography on reversed phase in the characterization of retention behaviour, lipophilicity, and pharmacokinetics of cyanoacetamide derivatives
EP  - 4660
IS  - 1
SP  - 4654
VL  - 65
DO  - 10.4067/S0717-97072020000104654
ER  - 

@article{
author = "Apostolov, Suzana and Vastag, Gyongyi and Matijević, Borko M. and Đaković-Sekulić, Tatjana and Marinković, Aleksandar",
year = "2020",
abstract = "Biological activity of a molecule is closely related to its lipophilicity. This significant parameter was determined for a group of potentially bioactive N-(4-phenylmonosubstituted)-2-cyanoacetamides applying thin-layer chromatography on reversed phase (RP-TLC) in mixtures of water and two organic modifiers separately, i-propanol and dioxane. The effect of the chemical structure of derivatives and the influence of the applied organic modifier on their retention were studied. The determined chromatographic retention constants, R-M(0), and the chromatographic parameter, m, of compounds were correlated with software calculated partition coefficients, log P as the standard measure of lipophilicity and with different pharmacokinetic predictors applying classical linear and multiple regression analysis. By classical linear regression analysis in both water-modifier systems only R-M(0)-log P and m-log P correlations were established (average r, 0.909 and 0.826). All studied relationships were enhanced by molecular descriptors that fulfilled the modified Lipinski's rule of five. Thereby, the performed multiple regression analysis gave better correlations (for R-M(0)-log P and m-log P average r(2), 0.994 and 0.993; for R-M(0)-pharmacokinetic parameters and m-pharmacokinetic parameters average r(2) 0.978 and 0.980). The obtained results indicate that the chromatographic parameters, R-M(0) and m determined by RP-TLC at given conditions could be used successfully for the description of lipophilicity and the evaluation of pharmacokinetic properties of N-(4-phenylmonosubstituted)-2-cyanoacetamides as potential bioactive molecules.",
journal = "Journal of the Chilean Chemical Society",
title = "Thin-layer chromatography on reversed phase in the characterization of retention behaviour, lipophilicity, and pharmacokinetics of cyanoacetamide derivatives",
pages = "4660-4654",
number = "1",
volume = "65",
doi = "10.4067/S0717-97072020000104654"
}

Apostolov, S., Vastag, G., Matijević, B. M., Đaković-Sekulić, T.,& Marinković, A.. (2020). Thin-layer chromatography on reversed phase in the characterization of retention behaviour, lipophilicity, and pharmacokinetics of cyanoacetamide derivatives. in Journal of the Chilean Chemical Society, 65(1), 4654-4660.
https://doi.org/10.4067/S0717-97072020000104654

Apostolov S, Vastag G, Matijević BM, Đaković-Sekulić T, Marinković A. Thin-layer chromatography on reversed phase in the characterization of retention behaviour, lipophilicity, and pharmacokinetics of cyanoacetamide derivatives. in Journal of the Chilean Chemical Society. 2020;65(1):4654-4660.
doi:10.4067/S0717-97072020000104654 .

Apostolov, Suzana, Vastag, Gyongyi, Matijević, Borko M., Đaković-Sekulić, Tatjana, Marinković, Aleksandar, "Thin-layer chromatography on reversed phase in the characterization of retention behaviour, lipophilicity, and pharmacokinetics of cyanoacetamide derivatives" in Journal of the Chilean Chemical Society, 65, no. 1 (2020):4654-4660,
https://doi.org/10.4067/S0717-97072020000104654 . .

TY  - JOUR
AU  - Apostolov, Suzana
AU  - Mijin, Dušan
AU  - Petrović, Slobodan
AU  - Vastag, Gyongyi
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/9
AB  - The selected diphenylacetamide derivatives were subjected to chromatographic and in silico approach in order to obtain significant information about their structure-activity relationships. As an early step in the assessment of their biological profile, drug-likeness and lead-likeness rules were performed, as well as determination of the bioactivity scores. The relationships between the obtained chromatographic parameters and the relevant software lipophilicity/pharmacokinetic/toxicity predictors of the studied derivatives were examined by linear regression and multivariate methods. Beside the satisfactory linear relationships obtained for each applied system, the multivariate methods gave more concrete relations between the analyzed parameters of biological activity. Higher similarity between the chromatographic parameters (R (M) (0), C (0)), standard measure of lipophilicity and pharmacokinetic predictors was confirmed, while the chromatographic parameter m obtained in the same conditions exhibits better agreement with the bioactivity scores and toxicity parameters. Also, it was observed that the values of diphenylacetamide's biological activity parameters are in the greatest extent conditioned by the polarity of the substituent presented in its molecule.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - In silico approach in the assessment of chromatographic parameters as descriptors of diphenylacetamides' biological/pharmacological profile
EP  - 862
IS  - 19-20
SP  - 852
VL  - 43
DO  - 10.1080/10826076.2020.1835672
ER  - 

@article{
author = "Apostolov, Suzana and Mijin, Dušan and Petrović, Slobodan and Vastag, Gyongyi",
year = "2020",
abstract = "The selected diphenylacetamide derivatives were subjected to chromatographic and in silico approach in order to obtain significant information about their structure-activity relationships. As an early step in the assessment of their biological profile, drug-likeness and lead-likeness rules were performed, as well as determination of the bioactivity scores. The relationships between the obtained chromatographic parameters and the relevant software lipophilicity/pharmacokinetic/toxicity predictors of the studied derivatives were examined by linear regression and multivariate methods. Beside the satisfactory linear relationships obtained for each applied system, the multivariate methods gave more concrete relations between the analyzed parameters of biological activity. Higher similarity between the chromatographic parameters (R (M) (0), C (0)), standard measure of lipophilicity and pharmacokinetic predictors was confirmed, while the chromatographic parameter m obtained in the same conditions exhibits better agreement with the bioactivity scores and toxicity parameters. Also, it was observed that the values of diphenylacetamide's biological activity parameters are in the greatest extent conditioned by the polarity of the substituent presented in its molecule.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "In silico approach in the assessment of chromatographic parameters as descriptors of diphenylacetamides' biological/pharmacological profile",
pages = "862-852",
number = "19-20",
volume = "43",
doi = "10.1080/10826076.2020.1835672"
}

Apostolov, S., Mijin, D., Petrović, S.,& Vastag, G.. (2020). In silico approach in the assessment of chromatographic parameters as descriptors of diphenylacetamides' biological/pharmacological profile. in Journal of Liquid Chromatography & Related Technologies
Taylor & Francis Inc, Philadelphia., 43(19-20), 852-862.
https://doi.org/10.1080/10826076.2020.1835672

Apostolov S, Mijin D, Petrović S, Vastag G. In silico approach in the assessment of chromatographic parameters as descriptors of diphenylacetamides' biological/pharmacological profile. in Journal of Liquid Chromatography & Related Technologies. 2020;43(19-20):852-862.
doi:10.1080/10826076.2020.1835672 .

Apostolov, Suzana, Mijin, Dušan, Petrović, Slobodan, Vastag, Gyongyi, "In silico approach in the assessment of chromatographic parameters as descriptors of diphenylacetamides' biological/pharmacological profile" in Journal of Liquid Chromatography & Related Technologies, 43, no. 19-20 (2020):852-862,
https://doi.org/10.1080/10826076.2020.1835672 . .

TY  - JOUR
AU  - Vastag, Gyongyi
AU  - Apostolov, Suzana
AU  - Mijin, Dušan
AU  - Grbović, Ljubica
AU  - Kaurinović, Biljana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4318
AB  - Selected chemometric methods were used to form models that define the qualitative and quantitative dependence between the chemical structure and the parameters of potential biological activity (lipophilicity, retention, pharmacokinetic, and toxic properties) of the selected diphenylacetamide derivatives. The chromatographic retention parameters of the selected diphenylacetamides were determined by applying reversed-phase thin-layer chromatography (RPTLC) on C18 and cyano modified carriers in mixtures of water-methanol and water-acetone. It was found that the polarity of the substituent R has dominant influence and its electronic effects to a lesser extent, on the studied parameters of the biological activity of diphenylacetamides. Also, results suggest a better similarity of the retention constants, R-M(0), with parameters of lipophilicity and pharmacokinetic predictors. Contrary to that, chromatographic parameter, m, exhibits a greater resemblance with toxicity parameters.
PB  - Wiley, Hoboken
T2  - Journal of Chemometrics
T1  - Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides
IS  - 2
VL  - 33
DO  - 10.1002/cem.3091
ER  - 

@article{
author = "Vastag, Gyongyi and Apostolov, Suzana and Mijin, Dušan and Grbović, Ljubica and Kaurinović, Biljana",
year = "2019",
abstract = "Selected chemometric methods were used to form models that define the qualitative and quantitative dependence between the chemical structure and the parameters of potential biological activity (lipophilicity, retention, pharmacokinetic, and toxic properties) of the selected diphenylacetamide derivatives. The chromatographic retention parameters of the selected diphenylacetamides were determined by applying reversed-phase thin-layer chromatography (RPTLC) on C18 and cyano modified carriers in mixtures of water-methanol and water-acetone. It was found that the polarity of the substituent R has dominant influence and its electronic effects to a lesser extent, on the studied parameters of the biological activity of diphenylacetamides. Also, results suggest a better similarity of the retention constants, R-M(0), with parameters of lipophilicity and pharmacokinetic predictors. Contrary to that, chromatographic parameter, m, exhibits a greater resemblance with toxicity parameters.",
publisher = "Wiley, Hoboken",
journal = "Journal of Chemometrics",
title = "Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides",
number = "2",
volume = "33",
doi = "10.1002/cem.3091"
}

Vastag, G., Apostolov, S., Mijin, D., Grbović, L.,& Kaurinović, B.. (2019). Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides. in Journal of Chemometrics
Wiley, Hoboken., 33(2).
https://doi.org/10.1002/cem.3091

Vastag G, Apostolov S, Mijin D, Grbović L, Kaurinović B. Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides. in Journal of Chemometrics. 2019;33(2).
doi:10.1002/cem.3091 .

Vastag, Gyongyi, Apostolov, Suzana, Mijin, Dušan, Grbović, Ljubica, Kaurinović, Biljana, "Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides" in Journal of Chemometrics, 33, no. 2 (2019),
https://doi.org/10.1002/cem.3091 . .

TY  - JOUR
AU  - Matijević, Borko M.
AU  - Vaštag, Đenđi
AU  - Apostolov, Suzana
AU  - Milčić, Miloš
AU  - Marinković, Aleksandar
AU  - Petrović, Slobodan
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4116
AB  - The UV absorption spectra of twelve N-(substituted phenyl)-2-chloroacetamides were recorded in eighteen solvents. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts was evaluated by using the Kamlet-Taft solvent parameter set, i.e. applying linear solvation energy relationships (LSER) principles. Optimized geometries and experimental results were interpreted by using DFT (B3LYP/6-311+G(d,p) method) and time-dependent density functional (TD-DFT) method. Overall electron density in both ground and excited state was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. It was found that both solvent and substituents cause appropriate change of the extent of conjugation in the molecules that further affect their intra-molecular charge transfer (ICT) character. Linear free energy relationships (LFERs) were applied to the substituent-induced NMR chemical shifts (SCS) using single substituent parameter (SSP) and dual substituent parameter (DSP) model. Transmission mode of the electronic effects of substituent was discussed according to the results of theoretical calculations and results of LFER correlations. Comparative analysis of presented results with the ones published for structurally similar series of amide which contained cyano group, instead chlorine, provides additional information on the impact of present group to the properties of investigated compound.
PB  - Elsevier, Amsterdam
T2  - Arabian Journal of Chemistry
T1  - N-(substituted phenyl)-2-chloroacetamides: LSER and LFER study
EP  - 3379
IS  - 8
SP  - 3367
VL  - 12
DO  - 10.1016/j.arabjc.2015.09.008
ER  - 

@article{
author = "Matijević, Borko M. and Vaštag, Đenđi and Apostolov, Suzana and Milčić, Miloš and Marinković, Aleksandar and Petrović, Slobodan",
year = "2019",
abstract = "The UV absorption spectra of twelve N-(substituted phenyl)-2-chloroacetamides were recorded in eighteen solvents. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts was evaluated by using the Kamlet-Taft solvent parameter set, i.e. applying linear solvation energy relationships (LSER) principles. Optimized geometries and experimental results were interpreted by using DFT (B3LYP/6-311+G(d,p) method) and time-dependent density functional (TD-DFT) method. Overall electron density in both ground and excited state was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. It was found that both solvent and substituents cause appropriate change of the extent of conjugation in the molecules that further affect their intra-molecular charge transfer (ICT) character. Linear free energy relationships (LFERs) were applied to the substituent-induced NMR chemical shifts (SCS) using single substituent parameter (SSP) and dual substituent parameter (DSP) model. Transmission mode of the electronic effects of substituent was discussed according to the results of theoretical calculations and results of LFER correlations. Comparative analysis of presented results with the ones published for structurally similar series of amide which contained cyano group, instead chlorine, provides additional information on the impact of present group to the properties of investigated compound.",
publisher = "Elsevier, Amsterdam",
journal = "Arabian Journal of Chemistry",
title = "N-(substituted phenyl)-2-chloroacetamides: LSER and LFER study",
pages = "3379-3367",
number = "8",
volume = "12",
doi = "10.1016/j.arabjc.2015.09.008"
}

Matijević, B. M., Vaštag, Đ., Apostolov, S., Milčić, M., Marinković, A.,& Petrović, S.. (2019). N-(substituted phenyl)-2-chloroacetamides: LSER and LFER study. in Arabian Journal of Chemistry
Elsevier, Amsterdam., 12(8), 3367-3379.
https://doi.org/10.1016/j.arabjc.2015.09.008

Matijević BM, Vaštag Đ, Apostolov S, Milčić M, Marinković A, Petrović S. N-(substituted phenyl)-2-chloroacetamides: LSER and LFER study. in Arabian Journal of Chemistry. 2019;12(8):3367-3379.
doi:10.1016/j.arabjc.2015.09.008 .

Matijević, Borko M., Vaštag, Đenđi, Apostolov, Suzana, Milčić, Miloš, Marinković, Aleksandar, Petrović, Slobodan, "N-(substituted phenyl)-2-chloroacetamides: LSER and LFER study" in Arabian Journal of Chemistry, 12, no. 8 (2019):3367-3379,
https://doi.org/10.1016/j.arabjc.2015.09.008 . .

TY  - JOUR
AU  - Matijević, Borko M.
AU  - Vaštag, Đenđi
AU  - Apostolov, Suzana
AU  - Assaleh, Fathi H.
AU  - Marinković, Aleksandar
AU  - Mijin, Dušan
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3273
AB  - A series of sixteen synthesized thiouracil azo dyes was obtained by condensation of arylazo acetoacetic esters with thiourea. Purified products were characterized by UV-Vis, FT-IR, H-1 and C-13 NMR spectroscopy. The UV-Vis absorption spectra of all synthesized compounds were recorded in nineteen solvents of different properties. The study and analysis of the spectral data of azo dyes generally indicate that the tautomeric equilibrium is shifted to the hydrazone tautomeric form in the solid state. Linear solvation energy relationships describe solvent influence on solvatochromism of the hydrazone form with the use of the Catalan model. Linear free energy relationships were applied in the form of single substituent parameter model to analyze substituent electronic effects on the spectral behavior of the compounds by Hammett's equation. The correlations obtained with aid of theoretical calculations give insight into the influence of molecular conformation on the transmission of substituent effects, as well as different solvent-solute interactions.
PB  - Springer/Plenum Publishers, New York
T2  - Journal of Solution Chemistry
T1  - Solvatochromism of Thiouracil Azo Dyes
EP  - 906
IS  - 6
SP  - 885
VL  - 45
DO  - 10.1007/s10953-016-0482-x
ER  - 

@article{
author = "Matijević, Borko M. and Vaštag, Đenđi and Apostolov, Suzana and Assaleh, Fathi H. and Marinković, Aleksandar and Mijin, Dušan",
year = "2016",
abstract = "A series of sixteen synthesized thiouracil azo dyes was obtained by condensation of arylazo acetoacetic esters with thiourea. Purified products were characterized by UV-Vis, FT-IR, H-1 and C-13 NMR spectroscopy. The UV-Vis absorption spectra of all synthesized compounds were recorded in nineteen solvents of different properties. The study and analysis of the spectral data of azo dyes generally indicate that the tautomeric equilibrium is shifted to the hydrazone tautomeric form in the solid state. Linear solvation energy relationships describe solvent influence on solvatochromism of the hydrazone form with the use of the Catalan model. Linear free energy relationships were applied in the form of single substituent parameter model to analyze substituent electronic effects on the spectral behavior of the compounds by Hammett's equation. The correlations obtained with aid of theoretical calculations give insight into the influence of molecular conformation on the transmission of substituent effects, as well as different solvent-solute interactions.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Journal of Solution Chemistry",
title = "Solvatochromism of Thiouracil Azo Dyes",
pages = "906-885",
number = "6",
volume = "45",
doi = "10.1007/s10953-016-0482-x"
}

Matijević, B. M., Vaštag, Đ., Apostolov, S., Assaleh, F. H., Marinković, A.,& Mijin, D.. (2016). Solvatochromism of Thiouracil Azo Dyes. in Journal of Solution Chemistry
Springer/Plenum Publishers, New York., 45(6), 885-906.
https://doi.org/10.1007/s10953-016-0482-x

Matijević BM, Vaštag Đ, Apostolov S, Assaleh FH, Marinković A, Mijin D. Solvatochromism of Thiouracil Azo Dyes. in Journal of Solution Chemistry. 2016;45(6):885-906.
doi:10.1007/s10953-016-0482-x .

Matijević, Borko M., Vaštag, Đenđi, Apostolov, Suzana, Assaleh, Fathi H., Marinković, Aleksandar, Mijin, Dušan, "Solvatochromism of Thiouracil Azo Dyes" in Journal of Solution Chemistry, 45, no. 6 (2016):885-906,
https://doi.org/10.1007/s10953-016-0482-x . .

TY  - JOUR
AU  - Matijević, Borko M.
AU  - Mrđan, Gorana S.
AU  - Vaštag, Đenđi
AU  - Apostolov, Suzana
AU  - Nikolić, Jovana
AU  - Marinković, Aleksandar
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3213
AB  - Amide derivates are biologically active compounds and they are widely used in all spheres of life. Therefore, it is very important to know their physical-chemical properties. In this work the influence of characteristics and nature of the solvent on the absorption spectra of N-aryl-phenylacetamide was investigated, in order to obtain information about their solvatochromic properties. The spectra of the compounds were recorded in 15 solvents, with different properties, in the wavelength range from 200 to 400 nm. The effect of the solvents on the absorption spectra of N-aryl-phenylacetamide was analyzed by using Kamlet-Taft's solvatochromic model. Also, in order to obtain detailed information on the type and dominance of the interactions that occur between the compound and the surrounding medium, correlations were made with absorption maxima and Hansen's solvent parameters. In addition to the effect of solvent, the impact of the chemical structure on the spectral behavior of tested amide derivatives was analyzed.
AB  - Derivati amida su biološki aktivna jedinjenja i imaju široku primenu u svim sferama života. Zbog toga je veoma važno poznavati njihova fizičko-hemijska svojstva. U ovom radu ispitivan je uticaj osobina i prirode rastvarača na apsorpcione spektre N-aril-fenilacetamida radi dobijanja informacija o njihovim solvatohromnim svojstvima. Spektri ispitivanih jedinjenja su snimljeni u 15 rastvarača različitih osobina, u opsegu talasnih dužina od 200 do 400 nm. Uticaj rastvarača na apsorpcione spektre N-aril-fenilacetamida analiziran je pomoću Kamlet-Taft-ovog solvatohromnog modela. Takođe, radi dobijanja detaljnijih informacija o vrsti i dominantnosti interakcija koje se javljaju između jedinjenja i okolnog medijuma, urađene su korelacije apsorpcionih maksimuma sa Hansen-ovim parametrima rastvarača. Pored uticaja rastvarača analiziran je i uticaj hemijske strukture na spektralno ponašanje ispitivanih derivata amida.
PB  - Engineering Society for Corrosion, Belgrade, Serbia
T2  - Zaštita materijala
T1  - Solvatochromism of N-aryl-phenylacetamides
T1  - Solvatohromizam N-aril-fenilacetamida
EP  - 264
IS  - 2
SP  - 253
VL  - 57
DO  - 10.5937/ZasMat1602253M
ER  - 

@article{
author = "Matijević, Borko M. and Mrđan, Gorana S. and Vaštag, Đenđi and Apostolov, Suzana and Nikolić, Jovana and Marinković, Aleksandar",
year = "2016",
abstract = "Amide derivates are biologically active compounds and they are widely used in all spheres of life. Therefore, it is very important to know their physical-chemical properties. In this work the influence of characteristics and nature of the solvent on the absorption spectra of N-aryl-phenylacetamide was investigated, in order to obtain information about their solvatochromic properties. The spectra of the compounds were recorded in 15 solvents, with different properties, in the wavelength range from 200 to 400 nm. The effect of the solvents on the absorption spectra of N-aryl-phenylacetamide was analyzed by using Kamlet-Taft's solvatochromic model. Also, in order to obtain detailed information on the type and dominance of the interactions that occur between the compound and the surrounding medium, correlations were made with absorption maxima and Hansen's solvent parameters. In addition to the effect of solvent, the impact of the chemical structure on the spectral behavior of tested amide derivatives was analyzed., Derivati amida su biološki aktivna jedinjenja i imaju široku primenu u svim sferama života. Zbog toga je veoma važno poznavati njihova fizičko-hemijska svojstva. U ovom radu ispitivan je uticaj osobina i prirode rastvarača na apsorpcione spektre N-aril-fenilacetamida radi dobijanja informacija o njihovim solvatohromnim svojstvima. Spektri ispitivanih jedinjenja su snimljeni u 15 rastvarača različitih osobina, u opsegu talasnih dužina od 200 do 400 nm. Uticaj rastvarača na apsorpcione spektre N-aril-fenilacetamida analiziran je pomoću Kamlet-Taft-ovog solvatohromnog modela. Takođe, radi dobijanja detaljnijih informacija o vrsti i dominantnosti interakcija koje se javljaju između jedinjenja i okolnog medijuma, urađene su korelacije apsorpcionih maksimuma sa Hansen-ovim parametrima rastvarača. Pored uticaja rastvarača analiziran je i uticaj hemijske strukture na spektralno ponašanje ispitivanih derivata amida.",
publisher = "Engineering Society for Corrosion, Belgrade, Serbia",
journal = "Zaštita materijala",
title = "Solvatochromism of N-aryl-phenylacetamides, Solvatohromizam N-aril-fenilacetamida",
pages = "264-253",
number = "2",
volume = "57",
doi = "10.5937/ZasMat1602253M"
}

Matijević, B. M., Mrđan, G. S., Vaštag, Đ., Apostolov, S., Nikolić, J.,& Marinković, A.. (2016). Solvatochromism of N-aryl-phenylacetamides. in Zaštita materijala
Engineering Society for Corrosion, Belgrade, Serbia., 57(2), 253-264.
https://doi.org/10.5937/ZasMat1602253M

Matijević BM, Mrđan GS, Vaštag Đ, Apostolov S, Nikolić J, Marinković A. Solvatochromism of N-aryl-phenylacetamides. in Zaštita materijala. 2016;57(2):253-264.
doi:10.5937/ZasMat1602253M .

Matijević, Borko M., Mrđan, Gorana S., Vaštag, Đenđi, Apostolov, Suzana, Nikolić, Jovana, Marinković, Aleksandar, "Solvatochromism of N-aryl-phenylacetamides" in Zaštita materijala, 57, no. 2 (2016):253-264,
https://doi.org/10.5937/ZasMat1602253M . .

TY  - JOUR
AU  - Matijević, Borko M.
AU  - Vaštag, Đenđi
AU  - Apostolov, Suzana
AU  - Tot, Jadranka
AU  - Assaleh, Fathi H.
AU  - Marinković, Aleksandar
PY  - 2015
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2962
AB  - Uracil derivatives are potentially biologically active compounds, so the investigation of their physical and chemical properties is very important for their further application. In this work a series of newly synthesized derivatives of uracil was investigated by applying the spectrophotometric method. The absorption spectra were recorded in seventeen solvents with different properties. The effect of solvent was interpreted by Kamlet-Taft solvatochromic model. The dominance and the types of interactions that occur between the investigated derivatives and solvent were interpreted by applying the multiple linear correlation obtained values of absorption maxima and Hansen's solvent parameters. In addition to the effect of solvent, the influence of substituents in the molecule on absorption spectra was studied by applying Hammett equation.
AB  - Derivati uracila predstavljaju potencijalno biološki aktivna jedinjenja, pa je ispitivanje njihovih fizičko- hemijskih svojstava veoma značajno za njihovu dalju primenu. U ovom radu je ispitana serija novosintetisanih derivata uracila primenom spektrofotometrijske metode. Apsorpcioni spektri su snimljeni u sedamnaest rastvarača različitih svojstava. Uticaj rastvarača na apsorpcione spektre tumačen je primenom Kamlet-Taft-ovog solvatohromnog modela. Dominantnost i vrste interakcija koje se javljaju između ispitivanih derivata i rastvarača analizirane su metodom višestruke linearne korelacije dobijenih vrednosti položaja apsorpcionih maksimuma i Hansen-ovih parametara rastvarača. Pored uticaja rastvarača, tumačen je i uticaj supstituenta prisutnog u molekulu na apsorpcione spektre pomoću Hammett-ove jednačine.
PB  - Engineering Society for Corrosion, Belgrade, Serbia
T2  - Zaštita materijala
T1  - Studying of physicochemical properties of newly synthesized uracil derivatives
T1  - Proučavanje fizičko-hemijskih svojstava novosintetisanih derivata uracila
EP  - 288
IS  - 3
SP  - 279
VL  - 56
DO  - 10.5937/ZasMat1503279M
ER  - 

@article{
author = "Matijević, Borko M. and Vaštag, Đenđi and Apostolov, Suzana and Tot, Jadranka and Assaleh, Fathi H. and Marinković, Aleksandar",
year = "2015",
abstract = "Uracil derivatives are potentially biologically active compounds, so the investigation of their physical and chemical properties is very important for their further application. In this work a series of newly synthesized derivatives of uracil was investigated by applying the spectrophotometric method. The absorption spectra were recorded in seventeen solvents with different properties. The effect of solvent was interpreted by Kamlet-Taft solvatochromic model. The dominance and the types of interactions that occur between the investigated derivatives and solvent were interpreted by applying the multiple linear correlation obtained values of absorption maxima and Hansen's solvent parameters. In addition to the effect of solvent, the influence of substituents in the molecule on absorption spectra was studied by applying Hammett equation., Derivati uracila predstavljaju potencijalno biološki aktivna jedinjenja, pa je ispitivanje njihovih fizičko- hemijskih svojstava veoma značajno za njihovu dalju primenu. U ovom radu je ispitana serija novosintetisanih derivata uracila primenom spektrofotometrijske metode. Apsorpcioni spektri su snimljeni u sedamnaest rastvarača različitih svojstava. Uticaj rastvarača na apsorpcione spektre tumačen je primenom Kamlet-Taft-ovog solvatohromnog modela. Dominantnost i vrste interakcija koje se javljaju između ispitivanih derivata i rastvarača analizirane su metodom višestruke linearne korelacije dobijenih vrednosti položaja apsorpcionih maksimuma i Hansen-ovih parametara rastvarača. Pored uticaja rastvarača, tumačen je i uticaj supstituenta prisutnog u molekulu na apsorpcione spektre pomoću Hammett-ove jednačine.",
publisher = "Engineering Society for Corrosion, Belgrade, Serbia",
journal = "Zaštita materijala",
title = "Studying of physicochemical properties of newly synthesized uracil derivatives, Proučavanje fizičko-hemijskih svojstava novosintetisanih derivata uracila",
pages = "288-279",
number = "3",
volume = "56",
doi = "10.5937/ZasMat1503279M"
}

Matijević, B. M., Vaštag, Đ., Apostolov, S., Tot, J., Assaleh, F. H.,& Marinković, A.. (2015). Studying of physicochemical properties of newly synthesized uracil derivatives. in Zaštita materijala
Engineering Society for Corrosion, Belgrade, Serbia., 56(3), 279-288.
https://doi.org/10.5937/ZasMat1503279M

Matijević BM, Vaštag Đ, Apostolov S, Tot J, Assaleh FH, Marinković A. Studying of physicochemical properties of newly synthesized uracil derivatives. in Zaštita materijala. 2015;56(3):279-288.
doi:10.5937/ZasMat1503279M .

Matijević, Borko M., Vaštag, Đenđi, Apostolov, Suzana, Tot, Jadranka, Assaleh, Fathi H., Marinković, Aleksandar, "Studying of physicochemical properties of newly synthesized uracil derivatives" in Zaštita materijala, 56, no. 3 (2015):279-288,
https://doi.org/10.5937/ZasMat1503279M . .

TY  - JOUR
AU  - Apostolov, Suzana
AU  - Vastag, Gyongyi
AU  - Matijević, Borko M.
AU  - Petrović, Slobodan
PY  - 2015
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3076
AB  - The lipophilicity of the newly synthesized N-(substituted phenyl)-2-chloroacetamides, as the most commonly used molecular descriptor of a potential biological activity was the subject of research. The lipophilicity of the tested derivatives was determined by applying the reversed-phase thin-layer chromatography (RPTLC18F254s) in mixtures of water and one protic (n-propanol) and one aprotic (acetonitrile) solvent, as well as mathematically. The effects of the substituent on the lipophilicity of chloroacetamides were discussed. The obtained chromatographic retention constant, R-M(0), of examined chloroacetamides was correlated with the standard measure of lipophilicity, log P, and with pharmacokinetic predictors such as human effective permeability in jejunum, P-eff, plasma protein binding, PPB, and distribution through blood-brain barrier, log BBB, using linear regression analysis and two multivariate methods, cluster analysis and principal component analysis. All the applied methods gave very similar results, and all the procedures also confirmed the fact that R-M(0) determined by RPTLC could be used as a descriptor to estimate the potential biological activity of N-(substituted phenyl)-2-chloroacetamides.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Chromatographic and Computational Assessment of Potential Biological Activity of N-(Substituted Phenyl)-2-Chloroacetamides Applying Multivariate Methods
EP  - 1698
IS  - 18
SP  - 1691
VL  - 38
DO  - 10.1080/10826076.2015.1092447
ER  - 

@article{
author = "Apostolov, Suzana and Vastag, Gyongyi and Matijević, Borko M. and Petrović, Slobodan",
year = "2015",
abstract = "The lipophilicity of the newly synthesized N-(substituted phenyl)-2-chloroacetamides, as the most commonly used molecular descriptor of a potential biological activity was the subject of research. The lipophilicity of the tested derivatives was determined by applying the reversed-phase thin-layer chromatography (RPTLC18F254s) in mixtures of water and one protic (n-propanol) and one aprotic (acetonitrile) solvent, as well as mathematically. The effects of the substituent on the lipophilicity of chloroacetamides were discussed. The obtained chromatographic retention constant, R-M(0), of examined chloroacetamides was correlated with the standard measure of lipophilicity, log P, and with pharmacokinetic predictors such as human effective permeability in jejunum, P-eff, plasma protein binding, PPB, and distribution through blood-brain barrier, log BBB, using linear regression analysis and two multivariate methods, cluster analysis and principal component analysis. All the applied methods gave very similar results, and all the procedures also confirmed the fact that R-M(0) determined by RPTLC could be used as a descriptor to estimate the potential biological activity of N-(substituted phenyl)-2-chloroacetamides.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Chromatographic and Computational Assessment of Potential Biological Activity of N-(Substituted Phenyl)-2-Chloroacetamides Applying Multivariate Methods",
pages = "1698-1691",
number = "18",
volume = "38",
doi = "10.1080/10826076.2015.1092447"
}

Apostolov, S., Vastag, G., Matijević, B. M.,& Petrović, S.. (2015). Chromatographic and Computational Assessment of Potential Biological Activity of N-(Substituted Phenyl)-2-Chloroacetamides Applying Multivariate Methods. in Journal of Liquid Chromatography & Related Technologies
Taylor & Francis Inc, Philadelphia., 38(18), 1691-1698.
https://doi.org/10.1080/10826076.2015.1092447

Apostolov S, Vastag G, Matijević BM, Petrović S. Chromatographic and Computational Assessment of Potential Biological Activity of N-(Substituted Phenyl)-2-Chloroacetamides Applying Multivariate Methods. in Journal of Liquid Chromatography & Related Technologies. 2015;38(18):1691-1698.
doi:10.1080/10826076.2015.1092447 .

Apostolov, Suzana, Vastag, Gyongyi, Matijević, Borko M., Petrović, Slobodan, "Chromatographic and Computational Assessment of Potential Biological Activity of N-(Substituted Phenyl)-2-Chloroacetamides Applying Multivariate Methods" in Journal of Liquid Chromatography & Related Technologies, 38, no. 18 (2015):1691-1698,
https://doi.org/10.1080/10826076.2015.1092447 . .

TY  - JOUR
AU  - Vastag, Gyongyi
AU  - Apostolov, Suzana
AU  - Matijević, Borko M.
AU  - Petrović, Slobodan
PY  - 2015
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2968
AB  - Lipophilicity, a very important parameter in the potential biological activities of molecules, was investigated for newly synthesized N-substituted-2-phenylacetamide derivatives. The determination was carried out in two ways: first experimentally, by applying thin-layer chromatography (TLC) on reversed-phase TLC (RPTLC) RP18F254s in the presence of one protic (methanol) and one aprotic solvent (acetonitrile) and then mathematically, by using different software packages. The intercept of the linear dependence between volume fractions of the organic solvent and the retention parameters obtained by TLC is known as the retention chromatographic constant, R-M(0), while the slope represents the m value. In order to establish the dependences between the partition coefficient, log P as the standard measure of lipophilicity and the alternative lipophilic parameters obtained experimentally by TLC, R-M(0) and m values, linear regression analysis and multivariate methods, cluster analysis (CA) and principal component analysis (PCA), were used. All applied methods gave approximately similar results. Although there is a linear dependence between the two chromatographic parameters, the retention constant, R-M(0), and the m values, only R-M(0) shows suitable similarity with the standard measure of lipophilicity of the investigated N-substituted-2-phenylacetamide derivatives at the given conditions. The existence of this resemblance proves that the chromatographic retention constant, R-M(0), obtained by RPTLC could be successfully used for the description of lipophilicity of investigated compounds. On the other hand, the results confirmed that the applied linear regression analysis and the multivariate analysis (CA and PCA) have the ability to compare lipophilic parameters of the investigated phenylacetamide derivatives obtained in different ways.
PB  - Oxford Univ Press Inc, Cary
T2  - Journal of Chromatographic Science
T1  - Establishing Dependences between Different Lipophilic Parameters of New Potentially Biologically Active N-Substituted-2-Phenylacetamide Derivatives by Applying Multivariate Methods
EP  - 319
IS  - 2
SP  - 312
VL  - 53
DO  - 10.1093/chromsci/bmu061
ER  - 

@article{
author = "Vastag, Gyongyi and Apostolov, Suzana and Matijević, Borko M. and Petrović, Slobodan",
year = "2015",
abstract = "Lipophilicity, a very important parameter in the potential biological activities of molecules, was investigated for newly synthesized N-substituted-2-phenylacetamide derivatives. The determination was carried out in two ways: first experimentally, by applying thin-layer chromatography (TLC) on reversed-phase TLC (RPTLC) RP18F254s in the presence of one protic (methanol) and one aprotic solvent (acetonitrile) and then mathematically, by using different software packages. The intercept of the linear dependence between volume fractions of the organic solvent and the retention parameters obtained by TLC is known as the retention chromatographic constant, R-M(0), while the slope represents the m value. In order to establish the dependences between the partition coefficient, log P as the standard measure of lipophilicity and the alternative lipophilic parameters obtained experimentally by TLC, R-M(0) and m values, linear regression analysis and multivariate methods, cluster analysis (CA) and principal component analysis (PCA), were used. All applied methods gave approximately similar results. Although there is a linear dependence between the two chromatographic parameters, the retention constant, R-M(0), and the m values, only R-M(0) shows suitable similarity with the standard measure of lipophilicity of the investigated N-substituted-2-phenylacetamide derivatives at the given conditions. The existence of this resemblance proves that the chromatographic retention constant, R-M(0), obtained by RPTLC could be successfully used for the description of lipophilicity of investigated compounds. On the other hand, the results confirmed that the applied linear regression analysis and the multivariate analysis (CA and PCA) have the ability to compare lipophilic parameters of the investigated phenylacetamide derivatives obtained in different ways.",
publisher = "Oxford Univ Press Inc, Cary",
journal = "Journal of Chromatographic Science",
title = "Establishing Dependences between Different Lipophilic Parameters of New Potentially Biologically Active N-Substituted-2-Phenylacetamide Derivatives by Applying Multivariate Methods",
pages = "319-312",
number = "2",
volume = "53",
doi = "10.1093/chromsci/bmu061"
}

Vastag, G., Apostolov, S., Matijević, B. M.,& Petrović, S.. (2015). Establishing Dependences between Different Lipophilic Parameters of New Potentially Biologically Active N-Substituted-2-Phenylacetamide Derivatives by Applying Multivariate Methods. in Journal of Chromatographic Science
Oxford Univ Press Inc, Cary., 53(2), 312-319.
https://doi.org/10.1093/chromsci/bmu061

Vastag G, Apostolov S, Matijević BM, Petrović S. Establishing Dependences between Different Lipophilic Parameters of New Potentially Biologically Active N-Substituted-2-Phenylacetamide Derivatives by Applying Multivariate Methods. in Journal of Chromatographic Science. 2015;53(2):312-319.
doi:10.1093/chromsci/bmu061 .

Vastag, Gyongyi, Apostolov, Suzana, Matijević, Borko M., Petrović, Slobodan, "Establishing Dependences between Different Lipophilic Parameters of New Potentially Biologically Active N-Substituted-2-Phenylacetamide Derivatives by Applying Multivariate Methods" in Journal of Chromatographic Science, 53, no. 2 (2015):312-319,
https://doi.org/10.1093/chromsci/bmu061 . .

TY  - JOUR
AU  - Matijević, Borko M.
AU  - Vaštag, Đenđi
AU  - Perišić-Janjić, Nada
AU  - Apostolov, Suzana
AU  - Milčić, Miloš
AU  - Zivanović, Lidija
AU  - Marinković, Aleksandar
PY  - 2014
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2754
AB  - UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides
EP  - 575
SP  - 568
VL  - 117
DO  - 10.1016/j.saa.2013.08.040
ER  - 

@article{
author = "Matijević, Borko M. and Vaštag, Đenđi and Perišić-Janjić, Nada and Apostolov, Suzana and Milčić, Miloš and Zivanović, Lidija and Marinković, Aleksandar",
year = "2014",
abstract = "UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides",
pages = "575-568",
volume = "117",
doi = "10.1016/j.saa.2013.08.040"
}

Matijević, B. M., Vaštag, Đ., Perišić-Janjić, N., Apostolov, S., Milčić, M., Zivanović, L.,& Marinković, A.. (2014). Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 117, 568-575.
https://doi.org/10.1016/j.saa.2013.08.040

Matijević BM, Vaštag Đ, Perišić-Janjić N, Apostolov S, Milčić M, Zivanović L, Marinković A. Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2014;117:568-575.
doi:10.1016/j.saa.2013.08.040 .

Matijević, Borko M., Vaštag, Đenđi, Perišić-Janjić, Nada, Apostolov, Suzana, Milčić, Miloš, Zivanović, Lidija, Marinković, Aleksandar, "Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 117 (2014):568-575,
https://doi.org/10.1016/j.saa.2013.08.040 . .

TY  - JOUR
AU  - Vastag, Gyongyi
AU  - Apostolov, Suzana
AU  - Matijević, Borko M.
AU  - Marinković, Aleksandar
PY  - 2014
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2717
AB  - The potential biological activity of a molecule largely depends on its lipophilicity. The lipophilicity of derivatives of N-substituted-2-phenylacetamide was investigated experimentally, by applying thin-layer chromatography on reversed phase (RP-TLC on RP 18 F-254s) in the presence of ethanol and dioxane and by using relevant software packages. In order to establish dependence between lipophilicity obtained in different ways, linear regression analysis and multivariate methods were used. Approximately similar groupings of lipophilic parameters and tested compounds were registered in case of both chemometric methods. The obtained results confirm the fact that the applied linear regression analysis and multivariate analysis provide opportunities for comparing chromatographic retention data and lipophilic parameters of the investigated phenylacetamide derivatives. Results suggest that the lipophilicity of investigated molecules largely depends on the nature of the substituents linked to nitrogen atom and on the other hand that the chromatographic retention constants, R-M(0), determined by RP-TLC method, are similar to the standard measure of lipophilicity, log P, which makes this method appropriate for predicting lipophilicity.
PB  - Soc Brasileira Quimica, Sao Paulo
T2  - Journal of the Brazilian Chemical Society
T1  - Chemometric Approach in Studying of the Retention Behavior and Lipophilicity of Potentially Biologically Active N-Substituted-2-phenylacetamide Derivatives
EP  - 1955
IS  - 11
SP  - 1948
VL  - 25
DO  - 10.5935/0103-5053.20140174
ER  - 

@article{
author = "Vastag, Gyongyi and Apostolov, Suzana and Matijević, Borko M. and Marinković, Aleksandar",
year = "2014",
abstract = "The potential biological activity of a molecule largely depends on its lipophilicity. The lipophilicity of derivatives of N-substituted-2-phenylacetamide was investigated experimentally, by applying thin-layer chromatography on reversed phase (RP-TLC on RP 18 F-254s) in the presence of ethanol and dioxane and by using relevant software packages. In order to establish dependence between lipophilicity obtained in different ways, linear regression analysis and multivariate methods were used. Approximately similar groupings of lipophilic parameters and tested compounds were registered in case of both chemometric methods. The obtained results confirm the fact that the applied linear regression analysis and multivariate analysis provide opportunities for comparing chromatographic retention data and lipophilic parameters of the investigated phenylacetamide derivatives. Results suggest that the lipophilicity of investigated molecules largely depends on the nature of the substituents linked to nitrogen atom and on the other hand that the chromatographic retention constants, R-M(0), determined by RP-TLC method, are similar to the standard measure of lipophilicity, log P, which makes this method appropriate for predicting lipophilicity.",
publisher = "Soc Brasileira Quimica, Sao Paulo",
journal = "Journal of the Brazilian Chemical Society",
title = "Chemometric Approach in Studying of the Retention Behavior and Lipophilicity of Potentially Biologically Active N-Substituted-2-phenylacetamide Derivatives",
pages = "1955-1948",
number = "11",
volume = "25",
doi = "10.5935/0103-5053.20140174"
}

Vastag, G., Apostolov, S., Matijević, B. M.,& Marinković, A.. (2014). Chemometric Approach in Studying of the Retention Behavior and Lipophilicity of Potentially Biologically Active N-Substituted-2-phenylacetamide Derivatives. in Journal of the Brazilian Chemical Society
Soc Brasileira Quimica, Sao Paulo., 25(11), 1948-1955.
https://doi.org/10.5935/0103-5053.20140174

Vastag G, Apostolov S, Matijević BM, Marinković A. Chemometric Approach in Studying of the Retention Behavior and Lipophilicity of Potentially Biologically Active N-Substituted-2-phenylacetamide Derivatives. in Journal of the Brazilian Chemical Society. 2014;25(11):1948-1955.
doi:10.5935/0103-5053.20140174 .

Vastag, Gyongyi, Apostolov, Suzana, Matijević, Borko M., Marinković, Aleksandar, "Chemometric Approach in Studying of the Retention Behavior and Lipophilicity of Potentially Biologically Active N-Substituted-2-phenylacetamide Derivatives" in Journal of the Brazilian Chemical Society, 25, no. 11 (2014):1948-1955,
https://doi.org/10.5935/0103-5053.20140174 . .

TY  - JOUR
AU  - Vaštag, Đenđi
AU  - Perišić-Janjić, Nada
AU  - Apostolov, Suzana
AU  - Petrović, Slobodan
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1764
AB  - Retention behavior of some N-(4-phenylsubstituted)-2,3-diphenylpropanamides was investigated on reversed phase thin layer chromatography (RP-C18). Retention constants of investigated compounds were determined in the following solvent systems: water-ethanol, watern-propanol and water-i-propanol. Linear relationships were obtained between retention, RM and volume fraction of organic solvent, ϕ. As a measure of lipophilicity of tested propanamides, Hansch`s lipophilicity parameter, π, were calculated. Chromatography retention constants RM0 were correlated with Hansch`s lipophilicity parameter, and good linear relationships were obtained. These results confirm, that retention constants, (RM0 ), determined in reversed phase thin-layer chromatography (RP-TCL) can be used, as criteria of lipophilicity.
PB  - University of East Sarajevo, Faculty of Technology
T2  - Journal of Engineering & Processing Management
T1  - Chromatographic behavior and lipophilicity of n-(4-phenylsubstituted)-2,3-diphenylpropanamides
EP  - 15
IS  - 1
SP  - 7
VL  - 3
UR  - https://hdl.handle.net/21.15107/rcub_technorep_1764
ER  - 

@article{
author = "Vaštag, Đenđi and Perišić-Janjić, Nada and Apostolov, Suzana and Petrović, Slobodan",
year = "2011",
abstract = "Retention behavior of some N-(4-phenylsubstituted)-2,3-diphenylpropanamides was investigated on reversed phase thin layer chromatography (RP-C18). Retention constants of investigated compounds were determined in the following solvent systems: water-ethanol, watern-propanol and water-i-propanol. Linear relationships were obtained between retention, RM and volume fraction of organic solvent, ϕ. As a measure of lipophilicity of tested propanamides, Hansch`s lipophilicity parameter, π, were calculated. Chromatography retention constants RM0 were correlated with Hansch`s lipophilicity parameter, and good linear relationships were obtained. These results confirm, that retention constants, (RM0 ), determined in reversed phase thin-layer chromatography (RP-TCL) can be used, as criteria of lipophilicity.",
publisher = "University of East Sarajevo, Faculty of Technology",
journal = "Journal of Engineering & Processing Management",
title = "Chromatographic behavior and lipophilicity of n-(4-phenylsubstituted)-2,3-diphenylpropanamides",
pages = "15-7",
number = "1",
volume = "3",
url = "https://hdl.handle.net/21.15107/rcub_technorep_1764"
}

Vaštag, Đ., Perišić-Janjić, N., Apostolov, S.,& Petrović, S.. (2011). Chromatographic behavior and lipophilicity of n-(4-phenylsubstituted)-2,3-diphenylpropanamides. in Journal of Engineering & Processing Management
University of East Sarajevo, Faculty of Technology., 3(1), 7-15.
https://hdl.handle.net/21.15107/rcub_technorep_1764

Vaštag Đ, Perišić-Janjić N, Apostolov S, Petrović S. Chromatographic behavior and lipophilicity of n-(4-phenylsubstituted)-2,3-diphenylpropanamides. in Journal of Engineering & Processing Management. 2011;3(1):7-15.
https://hdl.handle.net/21.15107/rcub_technorep_1764 .

Vaštag, Đenđi, Perišić-Janjić, Nada, Apostolov, Suzana, Petrović, Slobodan, "Chromatographic behavior and lipophilicity of n-(4-phenylsubstituted)-2,3-diphenylpropanamides" in Journal of Engineering & Processing Management, 3, no. 1 (2011):7-15,
https://hdl.handle.net/21.15107/rcub_technorep_1764 .