TY  - CONF
AU  - Avdović, Edina
AU  - Milenković, Dejan
AU  - Djorović, Jelena
AU  - Vuković, Nenad
AU  - Dolicanin, Zana
AU  - Trifunović, Srećko
AU  - Marković, Zoran
AU  - Jeremić, Svetlana
PY  - 2018
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5654
AB  - The structure of the newly synthesized coumarin derivative, 3-(1-(3-hydroxypropylamino)-ethylidene)-chroman-2,4-dione, was investigated theoretically. The density functional theory calculations, with B3LYP functional (and with empirical dispersion corrections D3BJ) in combination with the 6–311+G(d,p) basis set, are performed in order to optimized the molecular structure of the investigated coumarin derivative. Molecular docking analysis was carried out in order to identify the potency of inhibition of the title molecule against human C-reactive protein. The inhibition activity was obtained for ten conformations of ligand inside protein.
AB  - Struktura novo sintetisanog derivata kumarina, 3- (1- (3-hidroksipropilamino) -etiliden) -hroman-2,4-diona, ispitana je primenom teorijskih metoda. Za optimizaciju strukture ispitivanog kumarinskog derivata korišćena je teorija funkcionalne gustine: B3LYP funkcional ( sa empirijskim ispravkama disperzije D3BJ) u kombinaciji sa 6-311+G(d, p) bazisnim setom. Urađen je molekulski doking, kao i analiza dobijenih rezultata kako bi se utvrdio potencijal inhibicije molekula ispitivanog jedinjenja prema humanom C-reaktivnom proteinu. Aktivnost inhibicije izračunata je za deset potencijalnih konformacija liganda unutar proteina.
C3  - 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.
T1  - Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein
T1  - Ligand-protein interakcije 3-(1-(3-hidroksipropilamino)etiliden)hroman-2,4-diona sa humanim C reaktivnim proteinom
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5654
ER  - 

@conference{
author = "Avdović, Edina and Milenković, Dejan and Djorović, Jelena and Vuković, Nenad and Dolicanin, Zana and Trifunović, Srećko and Marković, Zoran and Jeremić, Svetlana",
year = "2018",
abstract = "The structure of the newly synthesized coumarin derivative, 3-(1-(3-hydroxypropylamino)-ethylidene)-chroman-2,4-dione, was investigated theoretically. The density functional theory calculations, with B3LYP functional (and with empirical dispersion corrections D3BJ) in combination with the 6–311+G(d,p) basis set, are performed in order to optimized the molecular structure of the investigated coumarin derivative. Molecular docking analysis was carried out in order to identify the potency of inhibition of the title molecule against human C-reactive protein. The inhibition activity was obtained for ten conformations of ligand inside protein., Struktura novo sintetisanog derivata kumarina, 3- (1- (3-hidroksipropilamino) -etiliden) -hroman-2,4-diona, ispitana je primenom teorijskih metoda. Za optimizaciju strukture ispitivanog kumarinskog derivata korišćena je teorija funkcionalne gustine: B3LYP funkcional ( sa empirijskim ispravkama disperzije D3BJ) u kombinaciji sa 6-311+G(d, p) bazisnim setom. Urađen je molekulski doking, kao i analiza dobijenih rezultata kako bi se utvrdio potencijal inhibicije molekula ispitivanog jedinjenja prema humanom C-reaktivnom proteinu. Aktivnost inhibicije izračunata je za deset potencijalnih konformacija liganda unutar proteina.",
journal = "23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.",
title = "Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein, Ligand-protein interakcije 3-(1-(3-hidroksipropilamino)etiliden)hroman-2,4-diona sa humanim C reaktivnim proteinom",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5654"
}

Avdović, E., Milenković, D., Djorović, J., Vuković, N., Dolicanin, Z., Trifunović, S., Marković, Z.,& Jeremić, S.. (2018). Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018..
https://hdl.handle.net/21.15107/rcub_agrospace_5654

Avdović E, Milenković D, Djorović J, Vuković N, Dolicanin Z, Trifunović S, Marković Z, Jeremić S. Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.. 2018;.
https://hdl.handle.net/21.15107/rcub_agrospace_5654 .

Avdović, Edina, Milenković, Dejan, Djorović, Jelena, Vuković, Nenad, Dolicanin, Zana, Trifunović, Srećko, Marković, Zoran, Jeremić, Svetlana, "Ligand-Protein Interaction Of 3-(1-(3-Hydroxypropylamino)Etylidene)Chroman-2,4-Dione With Human C Reactive Protein" in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018. (2018),
https://hdl.handle.net/21.15107/rcub_agrospace_5654 .

TY  - CONF
AU  - Avdović, Edina
AU  - Jeremić, Svetlana
AU  - Amić, Ana
AU  - Pirković, Marijana
AU  - Milenković, Dejan
AU  - Djorović, Jelena
AU  - Marković, Zoran
PY  - 2018
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5655
AB  - In this paper was investigated the antioxidative activity of alizarin-2-glycoside. All results were obtained using the DFT method. For calculations, the M06-2X method was used in combination with the 6-311++G(d,p) base set. Water was used as a solvent. The values of enthalpy were used as thermodynamic parameters on the basis of which the antioxidative capacity of alizarin-2-glycoside was evaluated. The Molecular Docking method was used for assessing the ability of alizarin-2-glycoside to inhibit the negative effect of P-glycoprotein.
AB  - U ovom radu je ispitana antioksidativna aktivnost alizarin-2-glikozida. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćena M06-2X metoda u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Kao rastvarač korišćena je voda. Vrednosti entalpija korišćene su kao termodinamički parametri na osnovu kojih je procenjen antioksidativni kapacitet alizarin-2-glikozida. Molecular Docking metodom procenjena je sposobnost alizarin-2-glikozida da inhibira negativan uticaj P-glikoproteina.
C3  - 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.
T1  - Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside
T1  - Antioksidativna i inhibitorska aktivnost Alizarin-2-glikozida
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5655
ER  - 

@conference{
author = "Avdović, Edina and Jeremić, Svetlana and Amić, Ana and Pirković, Marijana and Milenković, Dejan and Djorović, Jelena and Marković, Zoran",
year = "2018",
abstract = "In this paper was investigated the antioxidative activity of alizarin-2-glycoside. All results were obtained using the DFT method. For calculations, the M06-2X method was used in combination with the 6-311++G(d,p) base set. Water was used as a solvent. The values of enthalpy were used as thermodynamic parameters on the basis of which the antioxidative capacity of alizarin-2-glycoside was evaluated. The Molecular Docking method was used for assessing the ability of alizarin-2-glycoside to inhibit the negative effect of P-glycoprotein., U ovom radu je ispitana antioksidativna aktivnost alizarin-2-glikozida. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćena M06-2X metoda u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Kao rastvarač korišćena je voda. Vrednosti entalpija korišćene su kao termodinamički parametri na osnovu kojih je procenjen antioksidativni kapacitet alizarin-2-glikozida. Molecular Docking metodom procenjena je sposobnost alizarin-2-glikozida da inhibira negativan uticaj P-glikoproteina.",
journal = "23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.",
title = "Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside, Antioksidativna i inhibitorska aktivnost Alizarin-2-glikozida",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5655"
}

Avdović, E., Jeremić, S., Amić, A., Pirković, M., Milenković, D., Djorović, J.,& Marković, Z.. (2018). Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018..
https://hdl.handle.net/21.15107/rcub_agrospace_5655

Avdović E, Jeremić S, Amić A, Pirković M, Milenković D, Djorović J, Marković Z. Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside. in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018.. 2018;.
https://hdl.handle.net/21.15107/rcub_agrospace_5655 .

Avdović, Edina, Jeremić, Svetlana, Amić, Ana, Pirković, Marijana, Milenković, Dejan, Djorović, Jelena, Marković, Zoran, "Antioxidative and Inhibitor Activity of Alizarin-2-Glycoside" in 23. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 09.-10. 03. 2018. (2018),
https://hdl.handle.net/21.15107/rcub_agrospace_5655 .

TY  - CONF
AU  - Filipović, Nenad
AU  - Saveljić, Igor
AU  - Rac, Vladislav
AU  - Graells, Beatriz Olalde
AU  - Bijelić, Goran
PY  - 2017
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4451
AB  - The concept of iontophoresis is often applied to increase the transdermal transport of drugs and other bioactive agents into the skin or other tissues. It is a non-invasive drug delivery method which involves electromigration and electroosmosis in addition to diffusion and is shown to be a viable alternative to conventional administration routs such as oral, hypodermic and intravenous injection. In this study we investigated, experimentally and numerically, in vitro drug delivery of dexamethasone sodium phosphate to porcine skin. Different current densities, delivery durations and drug loads were investigated experimentally and introduced as boundary conditions for numerical simulations. Nernst-Planck equation was used for calculation of active substance flux through equivalent model of homogeneous hydrogel and skin layers. The obtained numerical results were in good agreement with experimental observations. A comprehensive in-silico platform, which includes appropriate numerical tools for fitting, could contribute to iontophoretic drug-delivery devices design and correct dosage and drug clearance profiles as well as to perform much faster in-silico experiments to better determine parameters and performance criteria of iontophoretic drug delivery.
PB  - Elsevier Science Bv, Amsterdam
C3  - International Journal of Pharmaceutics
T1  - Computational and experimental model of transdermal iontophorethic drug delivery system
EP  - 388
IS  - 2
SP  - 383
VL  - 533
DO  - 10.1016/j.ijpharm.2017.05.066
ER  - 

@conference{
author = "Filipović, Nenad and Saveljić, Igor and Rac, Vladislav and Graells, Beatriz Olalde and Bijelić, Goran",
year = "2017",
abstract = "The concept of iontophoresis is often applied to increase the transdermal transport of drugs and other bioactive agents into the skin or other tissues. It is a non-invasive drug delivery method which involves electromigration and electroosmosis in addition to diffusion and is shown to be a viable alternative to conventional administration routs such as oral, hypodermic and intravenous injection. In this study we investigated, experimentally and numerically, in vitro drug delivery of dexamethasone sodium phosphate to porcine skin. Different current densities, delivery durations and drug loads were investigated experimentally and introduced as boundary conditions for numerical simulations. Nernst-Planck equation was used for calculation of active substance flux through equivalent model of homogeneous hydrogel and skin layers. The obtained numerical results were in good agreement with experimental observations. A comprehensive in-silico platform, which includes appropriate numerical tools for fitting, could contribute to iontophoretic drug-delivery devices design and correct dosage and drug clearance profiles as well as to perform much faster in-silico experiments to better determine parameters and performance criteria of iontophoretic drug delivery.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "International Journal of Pharmaceutics",
title = "Computational and experimental model of transdermal iontophorethic drug delivery system",
pages = "388-383",
number = "2",
volume = "533",
doi = "10.1016/j.ijpharm.2017.05.066"
}

Filipović, N., Saveljić, I., Rac, V., Graells, B. O.,& Bijelić, G.. (2017). Computational and experimental model of transdermal iontophorethic drug delivery system. in International Journal of Pharmaceutics
Elsevier Science Bv, Amsterdam., 533(2), 383-388.
https://doi.org/10.1016/j.ijpharm.2017.05.066

Filipović N, Saveljić I, Rac V, Graells BO, Bijelić G. Computational and experimental model of transdermal iontophorethic drug delivery system. in International Journal of Pharmaceutics. 2017;533(2):383-388.
doi:10.1016/j.ijpharm.2017.05.066 .

Filipović, Nenad, Saveljić, Igor, Rac, Vladislav, Graells, Beatriz Olalde, Bijelić, Goran, "Computational and experimental model of transdermal iontophorethic drug delivery system" in International Journal of Pharmaceutics, 533, no. 2 (2017):383-388,
https://doi.org/10.1016/j.ijpharm.2017.05.066 . .

TY  - CONF
AU  - Petrović, Zorica
AU  - Simijonović, Dusica
AU  - Marković, Zoran
AU  - Petrović, Vladimir
AU  - Djorović, Jelena
PY  - 2016
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5626
AB  - The UV-Vis properties of ten Schiff bases were systematically investigated. The time-dependent density functional theory (TDDFT) approach in combination with the B3LYP functional was used for simulation of UV-Vis spectra of examined compounds. The shapes of the Kohn-Sham molecular orbitals involved in electronic transitions were misleading. To provide better understanding of distribution of electron density natural bond orbital (NBO) analysis was used. NLMO clusters were constructed and they represent a part of a molecule characterized with eminent electron density. The TDDFT and NBO theories are complementary, and the results from these two approaches are combined to interpret the UV-Vis spectra.
C3  - 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.
T1  - Experimental and Theoretical Study Of UV-Vis Spectra of Schiff Bases
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5626
ER  - 

@conference{
author = "Petrović, Zorica and Simijonović, Dusica and Marković, Zoran and Petrović, Vladimir and Djorović, Jelena",
year = "2016",
abstract = "The UV-Vis properties of ten Schiff bases were systematically investigated. The time-dependent density functional theory (TDDFT) approach in combination with the B3LYP functional was used for simulation of UV-Vis spectra of examined compounds. The shapes of the Kohn-Sham molecular orbitals involved in electronic transitions were misleading. To provide better understanding of distribution of electron density natural bond orbital (NBO) analysis was used. NLMO clusters were constructed and they represent a part of a molecule characterized with eminent electron density. The TDDFT and NBO theories are complementary, and the results from these two approaches are combined to interpret the UV-Vis spectra.",
journal = "21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.",
title = "Experimental and Theoretical Study Of UV-Vis Spectra of Schiff Bases",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5626"
}

Petrović, Z., Simijonović, D., Marković, Z., Petrović, V.,& Djorović, J.. (2016). Experimental and Theoretical Study Of UV-Vis Spectra of Schiff Bases. in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016..
https://hdl.handle.net/21.15107/rcub_agrospace_5626

Petrović Z, Simijonović D, Marković Z, Petrović V, Djorović J. Experimental and Theoretical Study Of UV-Vis Spectra of Schiff Bases. in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.. 2016;.
https://hdl.handle.net/21.15107/rcub_agrospace_5626 .

Petrović, Zorica, Simijonović, Dusica, Marković, Zoran, Petrović, Vladimir, Djorović, Jelena, "Experimental and Theoretical Study Of UV-Vis Spectra of Schiff Bases" in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016. (2016),
https://hdl.handle.net/21.15107/rcub_agrospace_5626 .

TY  - CONF
AU  - Marković, Zoran
AU  - Jeremić, Svetlana
AU  - Filipović, Miloš
AU  - Milenković, Dejan
AU  - Djorović, Jelena
PY  - 2016
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5623
AB  - Quantitative structure–activity relationship model (QSAR models) is useful method for predicting antioxidant capacity of a molecule based on some chemical-physics properties. In our development of QSAR model are included 21 structural similar antioxidants. It is shown that taking into account some thermodynamical and thermochemical parameters of antioxidant and chemical activity is possible to generate fair antiradical QSAR models.
C3  - 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.
T1  - QSAR Model for Predicting Antioxidan Capacity of Some Polyphenolic Antioxidants
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5623
ER  - 

@conference{
author = "Marković, Zoran and Jeremić, Svetlana and Filipović, Miloš and Milenković, Dejan and Djorović, Jelena",
year = "2016",
abstract = "Quantitative structure–activity relationship model (QSAR models) is useful method for predicting antioxidant capacity of a molecule based on some chemical-physics properties. In our development of QSAR model are included 21 structural similar antioxidants. It is shown that taking into account some thermodynamical and thermochemical parameters of antioxidant and chemical activity is possible to generate fair antiradical QSAR models.",
journal = "21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.",
title = "QSAR Model for Predicting Antioxidan Capacity of Some Polyphenolic Antioxidants",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5623"
}

Marković, Z., Jeremić, S., Filipović, M., Milenković, D.,& Djorović, J.. (2016). QSAR Model for Predicting Antioxidan Capacity of Some Polyphenolic Antioxidants. in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016..
https://hdl.handle.net/21.15107/rcub_agrospace_5623

Marković Z, Jeremić S, Filipović M, Milenković D, Djorović J. QSAR Model for Predicting Antioxidan Capacity of Some Polyphenolic Antioxidants. in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.. 2016;.
https://hdl.handle.net/21.15107/rcub_agrospace_5623 .

Marković, Zoran, Jeremić, Svetlana, Filipović, Miloš, Milenković, Dejan, Djorović, Jelena, "QSAR Model for Predicting Antioxidan Capacity of Some Polyphenolic Antioxidants" in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016. (2016),
https://hdl.handle.net/21.15107/rcub_agrospace_5623 .

TY  - CONF
AU  - Marković, Zoran
AU  - Milenković, Dejan
AU  - Jeremić, Svetlana
AU  - Djorović, Jelena
AU  - Dimitrić-Marković, Jasmina
PY  - 2016
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5620
AB  - Cyanidin, as one important plant pigment, was theoretically (at M05-2X/6-311+G(d,p) level of theory) investigated for its ability to scavenge potentially, highly damaging hydroxyl radical. Free radical scavenging of cyanidin was studied through electron transfer mechanism – ET (the second step in SPLET mechanism) in water and ethanol, as solvents. Examination was performed using density functional theory (DFT) and Marcus theory. Based on the thermochemical and kinetic data, it is clear that O‒H group of cyanidin in position 3` is the most suitable for reaction with hydroxyl radical through mentioned antioxidant mechanism.
C3  - 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.
T1  - Examination of Electron Transfer Mechanism of Cyanidin
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5620
ER  - 

@conference{
author = "Marković, Zoran and Milenković, Dejan and Jeremić, Svetlana and Djorović, Jelena and Dimitrić-Marković, Jasmina",
year = "2016",
abstract = "Cyanidin, as one important plant pigment, was theoretically (at M05-2X/6-311+G(d,p) level of theory) investigated for its ability to scavenge potentially, highly damaging hydroxyl radical. Free radical scavenging of cyanidin was studied through electron transfer mechanism – ET (the second step in SPLET mechanism) in water and ethanol, as solvents. Examination was performed using density functional theory (DFT) and Marcus theory. Based on the thermochemical and kinetic data, it is clear that O‒H group of cyanidin in position 3` is the most suitable for reaction with hydroxyl radical through mentioned antioxidant mechanism.",
journal = "21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.",
title = "Examination of Electron Transfer Mechanism of Cyanidin",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5620"
}

Marković, Z., Milenković, D., Jeremić, S., Djorović, J.,& Dimitrić-Marković, J.. (2016). Examination of Electron Transfer Mechanism of Cyanidin. in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016..
https://hdl.handle.net/21.15107/rcub_agrospace_5620

Marković Z, Milenković D, Jeremić S, Djorović J, Dimitrić-Marković J. Examination of Electron Transfer Mechanism of Cyanidin. in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016.. 2016;.
https://hdl.handle.net/21.15107/rcub_agrospace_5620 .

Marković, Zoran, Milenković, Dejan, Jeremić, Svetlana, Djorović, Jelena, Dimitrić-Marković, Jasmina, "Examination of Electron Transfer Mechanism of Cyanidin" in 21. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 11.- 12. 03. 2016. (2016),
https://hdl.handle.net/21.15107/rcub_agrospace_5620 .

TY  - CONF
AU  - Marković, Zoran
AU  - Milenković, Dejan
AU  - Dimitrić-Marković, Jasmina
AU  - Mojović, Miloš
PY  - 2015
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5600
AB  - Delphinidin, one of the natural anthocyanin pigments was theoretically (at M05-2X/6-311+G(d,p) level of theory) investigated for its ability scavange potentially highly damaging hydroxyl and superoxide anion radicals. Theoretical calculations point to HAT and SPLET mechanisms as operative for delphinidin in all solvents under investigations.
AB  - Teoretski (na M05-2X/6-311+G(d,p) nivou teorije) je ispitivana sposobnost delfinidina, prirodnog antocijaninskog pigmenta, da reaguje sa potencijalno veoma štetnim hidroksi i superoksid anjon radikalima. Proračuni su pokazali da su HAT i SPLET mogući mehanizmi u svim rastvaračima.
C3  - 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.
T1  - Theoretical Investigation of Antiradical Activity of Delphinidin
T1  - Teorijsko ispitivanje antiradikalske aktivnosti delfinidina
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5600
ER  - 

@conference{
author = "Marković, Zoran and Milenković, Dejan and Dimitrić-Marković, Jasmina and Mojović, Miloš",
year = "2015",
abstract = "Delphinidin, one of the natural anthocyanin pigments was theoretically (at M05-2X/6-311+G(d,p) level of theory) investigated for its ability scavange potentially highly damaging hydroxyl and superoxide anion radicals. Theoretical calculations point to HAT and SPLET mechanisms as operative for delphinidin in all solvents under investigations., Teoretski (na M05-2X/6-311+G(d,p) nivou teorije) je ispitivana sposobnost delfinidina, prirodnog antocijaninskog pigmenta, da reaguje sa potencijalno veoma štetnim hidroksi i superoksid anjon radikalima. Proračuni su pokazali da su HAT i SPLET mogući mehanizmi u svim rastvaračima.",
journal = "20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.",
title = "Theoretical Investigation of Antiradical Activity of Delphinidin, Teorijsko ispitivanje antiradikalske aktivnosti delfinidina",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5600"
}

Marković, Z., Milenković, D., Dimitrić-Marković, J.,& Mojović, M.. (2015). Theoretical Investigation of Antiradical Activity of Delphinidin. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015..
https://hdl.handle.net/21.15107/rcub_agrospace_5600

Marković Z, Milenković D, Dimitrić-Marković J, Mojović M. Theoretical Investigation of Antiradical Activity of Delphinidin. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.. 2015;.
https://hdl.handle.net/21.15107/rcub_agrospace_5600 .

Marković, Zoran, Milenković, Dejan, Dimitrić-Marković, Jasmina, Mojović, Miloš, "Theoretical Investigation of Antiradical Activity of Delphinidin" in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015. (2015),
https://hdl.handle.net/21.15107/rcub_agrospace_5600 .

TY  - CONF
AU  - Marković, Zoran
AU  - Jeremić, Svetlana
AU  - Milenković, Dejan
AU  - Djorović, Jelena
PY  - 2015
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5591
AB  - Different metabolic processes as nus products form variety free radicals. Those radicals have damaging influence to people health, when they are formed in human bodies, or react as active components in reactions of nutrients decay. In this article are investigated mechanisms of radical scavenging activity of alizarin in reactions with •OH, •OOH and CH3OO• radicals. All results are obtained using DFT method. For calculations is used M06-2X functional in combination with 6-311++G(d,p) basis set. Lipid and aqueous environment are imitated. All conclusions are based on ΔH values, as thermodynamically indicator for anticipation of reaction pathway.
AB  - Tokom različitih metaboličkih procesa kao nus-produkti nastaju mnoštvo slobodnih radikala . Ovi radikali imaju štetan uticaj na zdravlje ljudi, ukoliko nastaju u čovekovom organizmu, ili reaguju kao aktivne komponente u reakcijama kvarenja hrane. U ovom radu su ispitani mehanizmi antiradikalske aktivnosti alizarina u reakcijama sa •OH, •OOH i CH3OO• radikalom. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćen M06-2X funkcional u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Simulirano je lipidno i vodeno okruženje. Svi zaključci bazirani su na ΔH vrednostima, kao termodinamičkom indikatoru za predviđanje reakcionog puta.
C3  - 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.
T1  - Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals
T1  - Mehanizmi antioksidativnih reakcija alizarina sa slobodnim radikalima
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5591
ER  - 

@conference{
author = "Marković, Zoran and Jeremić, Svetlana and Milenković, Dejan and Djorović, Jelena",
year = "2015",
abstract = "Different metabolic processes as nus products form variety free radicals. Those radicals have damaging influence to people health, when they are formed in human bodies, or react as active components in reactions of nutrients decay. In this article are investigated mechanisms of radical scavenging activity of alizarin in reactions with •OH, •OOH and CH3OO• radicals. All results are obtained using DFT method. For calculations is used M06-2X functional in combination with 6-311++G(d,p) basis set. Lipid and aqueous environment are imitated. All conclusions are based on ΔH values, as thermodynamically indicator for anticipation of reaction pathway., Tokom različitih metaboličkih procesa kao nus-produkti nastaju mnoštvo slobodnih radikala . Ovi radikali imaju štetan uticaj na zdravlje ljudi, ukoliko nastaju u čovekovom organizmu, ili reaguju kao aktivne komponente u reakcijama kvarenja hrane. U ovom radu su ispitani mehanizmi antiradikalske aktivnosti alizarina u reakcijama sa •OH, •OOH i CH3OO• radikalom. Svi rezultati dobijeni su primenom DFT metode. Za izračunavanja je korišćen M06-2X funkcional u kombinaciji sa 6-311++G(d,p) bazisnim skupom. Simulirano je lipidno i vodeno okruženje. Svi zaključci bazirani su na ΔH vrednostima, kao termodinamičkom indikatoru za predviđanje reakcionog puta.",
journal = "20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.",
title = "Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals, Mehanizmi antioksidativnih reakcija alizarina sa slobodnim radikalima",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5591"
}

Marković, Z., Jeremić, S., Milenković, D.,& Djorović, J.. (2015). Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015..
https://hdl.handle.net/21.15107/rcub_agrospace_5591

Marković Z, Jeremić S, Milenković D, Djorović J. Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.. 2015;.
https://hdl.handle.net/21.15107/rcub_agrospace_5591 .

Marković, Zoran, Jeremić, Svetlana, Milenković, Dejan, Djorović, Jelena, "Mechanisms of Atioxidative Reactions of Alizarin with Free Radicals" in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015. (2015),
https://hdl.handle.net/21.15107/rcub_agrospace_5591 .

TY  - CONF
AU  - Marković, Zoran
AU  - Petrović, Zorica
AU  - Simijonović, Dusica
AU  - Petrović, Vladimir
AU  - Djorović, Jelena
PY  - 2015
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5582
AB  - Ten hydroxyl-substituted Schiff bases with the different number and position of hydroxyl group on the two aromatic rings (A and B rings) was synthesized and have been under experimental and theoretical investigation of antioxidant activity. DPPH method was used for experimental examination of antioxidant activity, and DFT method for theoretical investigation in polar and non polar solvents.
AB  - Sintetisano je deset različitih hidroksi-supstituisanih Šifovih baza, koje imaju različit broj i položaj hidroksilnih grupa koje se nalaze na dva aromatična prstena (prsten A i B). Ispitana je njihova antioksidativna aktivnost, eksperimentalnim i teorijskim metodama. Za eksperimentalna ispitivanja antioksidativne aktivnosti korišćena je DPPH metoda, dok su teorijska ispitivanja u polarnim i nepolarnim rastvaračima urađena DFT metodom.
C3  - 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.
T1  - Antioxidant Activity of Some Schiff Bases: Experimental and Theoretical Study
T1  - Antioksidativna aktivnost nekih šifovih: eksperimentalna i teorijaska ispitivanja
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5582
ER  - 

@conference{
author = "Marković, Zoran and Petrović, Zorica and Simijonović, Dusica and Petrović, Vladimir and Djorović, Jelena",
year = "2015",
abstract = "Ten hydroxyl-substituted Schiff bases with the different number and position of hydroxyl group on the two aromatic rings (A and B rings) was synthesized and have been under experimental and theoretical investigation of antioxidant activity. DPPH method was used for experimental examination of antioxidant activity, and DFT method for theoretical investigation in polar and non polar solvents., Sintetisano je deset različitih hidroksi-supstituisanih Šifovih baza, koje imaju različit broj i položaj hidroksilnih grupa koje se nalaze na dva aromatična prstena (prsten A i B). Ispitana je njihova antioksidativna aktivnost, eksperimentalnim i teorijskim metodama. Za eksperimentalna ispitivanja antioksidativne aktivnosti korišćena je DPPH metoda, dok su teorijska ispitivanja u polarnim i nepolarnim rastvaračima urađena DFT metodom.",
journal = "20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.",
title = "Antioxidant Activity of Some Schiff Bases: Experimental and Theoretical Study, Antioksidativna aktivnost nekih šifovih: eksperimentalna i teorijaska ispitivanja",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5582"
}

Marković, Z., Petrović, Z., Simijonović, D., Petrović, V.,& Djorović, J.. (2015). Antioxidant Activity of Some Schiff Bases: Experimental and Theoretical Study. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015..
https://hdl.handle.net/21.15107/rcub_agrospace_5582

Marković Z, Petrović Z, Simijonović D, Petrović V, Djorović J. Antioxidant Activity of Some Schiff Bases: Experimental and Theoretical Study. in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015.. 2015;.
https://hdl.handle.net/21.15107/rcub_agrospace_5582 .

Marković, Zoran, Petrović, Zorica, Simijonović, Dusica, Petrović, Vladimir, Djorović, Jelena, "Antioxidant Activity of Some Schiff Bases: Experimental and Theoretical Study" in 20. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 13.- 14. 03. 2015. (2015),
https://hdl.handle.net/21.15107/rcub_agrospace_5582 .

TY  - CONF
AU  - Jeremić, S
AU  - Djorović, J
AU  - Milenković, D
AU  - Marković, Zoran
AU  - Dimitrić-Marković, Jasmina
PY  - 2014
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5575
AB  - Kaempferol, one of the most bioactive plant flavonoids was theoretically (at M05-2X/6-311G(d,p) level of theory) investigated for its ability scavange potentially highly damaging hydroxyl and superoxide anion radicals. Theoretical calculations point to HAT and SPLET mechanisms as operative for kaempferol in all solvents under investigations.
AB  - Teoretski (na M05-2X/6-311G(d,p) nivou teorije) je ispitivana sposobnost kempferola, važnog bioaktivnog biljnog jedinjenja flavonoida, da reaguje sa potencijalno veoma štetnim hidroksi radikalom i superoksid radikal anjonom. Proračuni su pokazali da su HAT i SPLET mogući mehanizmi u svim rastvaračima.
C3  - 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.
T1  - Investigation of Antioxidative Mechanisams of Kaempferol with Hydroxyl Radical and Superoxide Radical Anion
T1  - Ispitivanje antioksidativnih mehanizama kempferola sa hidroksi radikalom i superoksid radikal anjonom
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5575
ER  - 

@conference{
author = "Jeremić, S and Djorović, J and Milenković, D and Marković, Zoran and Dimitrić-Marković, Jasmina",
year = "2014",
abstract = "Kaempferol, one of the most bioactive plant flavonoids was theoretically (at M05-2X/6-311G(d,p) level of theory) investigated for its ability scavange potentially highly damaging hydroxyl and superoxide anion radicals. Theoretical calculations point to HAT and SPLET mechanisms as operative for kaempferol in all solvents under investigations., Teoretski (na M05-2X/6-311G(d,p) nivou teorije) je ispitivana sposobnost kempferola, važnog bioaktivnog biljnog jedinjenja flavonoida, da reaguje sa potencijalno veoma štetnim hidroksi radikalom i superoksid radikal anjonom. Proračuni su pokazali da su HAT i SPLET mogući mehanizmi u svim rastvaračima.",
journal = "19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.",
title = "Investigation of Antioxidative Mechanisams of Kaempferol with Hydroxyl Radical and Superoxide Radical Anion, Ispitivanje antioksidativnih mehanizama kempferola sa hidroksi radikalom i superoksid radikal anjonom",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5575"
}

Jeremić, S., Djorović, J., Milenković, D., Marković, Z.,& Dimitrić-Marković, J.. (2014). Investigation of Antioxidative Mechanisams of Kaempferol with Hydroxyl Radical and Superoxide Radical Anion. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014..
https://hdl.handle.net/21.15107/rcub_agrospace_5575

Jeremić S, Djorović J, Milenković D, Marković Z, Dimitrić-Marković J. Investigation of Antioxidative Mechanisams of Kaempferol with Hydroxyl Radical and Superoxide Radical Anion. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.. 2014;.
https://hdl.handle.net/21.15107/rcub_agrospace_5575 .

Jeremić, S, Djorović, J, Milenković, D, Marković, Zoran, Dimitrić-Marković, Jasmina, "Investigation of Antioxidative Mechanisams of Kaempferol with Hydroxyl Radical and Superoxide Radical Anion" in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014. (2014),
https://hdl.handle.net/21.15107/rcub_agrospace_5575 .

TY  - CONF
AU  - Marković, Zoran
AU  - Milenković, D
AU  - Djorović, J
AU  - Jeremić, S
PY  - 2014
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5567
AB  - Density functional theory calculations were performed to evaluate the antioxidant activity of alizarin red S molecule. The conformational behavior of molecule were analysed at the M06-2X/6-311++G(d,p) method. The most stable conformer of alizarin red S has two IHBs. The expected antioxidant activity of alizarin red S was justified from ionization potential (IPs) and homolytic O-H bond dissociation enthalpy (BDEs) values. Heterolytic O-H bond cleavages (proton dissociation enthalpies, PDEs) were also computed. Calculated IP, BDE, and PA values suggested that one-step H atom transfer (HAT), rather than SPLET or SET-PT, would be the most favored mechanism for explaining the antioxidant activity of alizarin red S in gas phase. In aqueous solution all of three mechanisms were competitive.
AB  - Upotrebom DFT metode vršena su izračunavanja u cilju određivanja antioksidativne aktivnosti alizarina red S. Konformaciona priroda molekula analizirana ispitana je primenom M06-2X/6-311++G(d,p) metoda. Najstabilniji konformer alizarina red S ima dve unutrašnje vodonične veze. Očekivana antioksidativna aktivnost alizarina red S određena je izračunavanjem vrednosti jonizacionih potencijala (IP) i i vrednosti entalpija homolitičkog raskidanja O-H veza (BDE). Vrednosti entalpije heterolitičkog raskidanja O-H veza (entalpije disocijacije protona, PDE), su takođe izračunate. Izračunate IP, BDE i PA vrednosti ukazuju na to da je jednostepeni transfer H-atoma (HAT), pre nego SPLET ili SET-PT mehanizam, favorizovan u pogledu antioksidativne aktivnosti alizarina red S u gasnoj fazi. U vodenom rastvoru, sva tri mehanizma su konkurentna.
C3  - 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.
T1  - DFT Investigations of Antioxidant Activity of Alizarin Red S
T1  - DFT ispitivanje antioksidativne aktivnosti alizarina Red S
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5567
ER  - 

@conference{
author = "Marković, Zoran and Milenković, D and Djorović, J and Jeremić, S",
year = "2014",
abstract = "Density functional theory calculations were performed to evaluate the antioxidant activity of alizarin red S molecule. The conformational behavior of molecule were analysed at the M06-2X/6-311++G(d,p) method. The most stable conformer of alizarin red S has two IHBs. The expected antioxidant activity of alizarin red S was justified from ionization potential (IPs) and homolytic O-H bond dissociation enthalpy (BDEs) values. Heterolytic O-H bond cleavages (proton dissociation enthalpies, PDEs) were also computed. Calculated IP, BDE, and PA values suggested that one-step H atom transfer (HAT), rather than SPLET or SET-PT, would be the most favored mechanism for explaining the antioxidant activity of alizarin red S in gas phase. In aqueous solution all of three mechanisms were competitive., Upotrebom DFT metode vršena su izračunavanja u cilju određivanja antioksidativne aktivnosti alizarina red S. Konformaciona priroda molekula analizirana ispitana je primenom M06-2X/6-311++G(d,p) metoda. Najstabilniji konformer alizarina red S ima dve unutrašnje vodonične veze. Očekivana antioksidativna aktivnost alizarina red S određena je izračunavanjem vrednosti jonizacionih potencijala (IP) i i vrednosti entalpija homolitičkog raskidanja O-H veza (BDE). Vrednosti entalpije heterolitičkog raskidanja O-H veza (entalpije disocijacije protona, PDE), su takođe izračunate. Izračunate IP, BDE i PA vrednosti ukazuju na to da je jednostepeni transfer H-atoma (HAT), pre nego SPLET ili SET-PT mehanizam, favorizovan u pogledu antioksidativne aktivnosti alizarina red S u gasnoj fazi. U vodenom rastvoru, sva tri mehanizma su konkurentna.",
journal = "19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.",
title = "DFT Investigations of Antioxidant Activity of Alizarin Red S, DFT ispitivanje antioksidativne aktivnosti alizarina Red S",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5567"
}

Marković, Z., Milenković, D., Djorović, J.,& Jeremić, S.. (2014). DFT Investigations of Antioxidant Activity of Alizarin Red S. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014..
https://hdl.handle.net/21.15107/rcub_agrospace_5567

Marković Z, Milenković D, Djorović J, Jeremić S. DFT Investigations of Antioxidant Activity of Alizarin Red S. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.. 2014;.
https://hdl.handle.net/21.15107/rcub_agrospace_5567 .

Marković, Zoran, Milenković, D, Djorović, J, Jeremić, S, "DFT Investigations of Antioxidant Activity of Alizarin Red S" in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014. (2014),
https://hdl.handle.net/21.15107/rcub_agrospace_5567 .

TY  - CONF
AU  - Djorović, J
AU  - Marković, Zoran
AU  - Jeremić, S
AU  - Milenković, D
PY  - 2014
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5564
AB  - In this paper are investigated the ΔHBDE, ΔHIP, and ΔHPA values of the corresponding reactions in the solvents of different polarity (water and pentylethanoate). An approach based on the enthalpies of the reactions related to the HAT, SPLET, and SET-PT mechanisms of gallic acid with some radicals (•OO-, •OH, and CH3OO•) is applied. The results show that thermodynamically favored mechanism depends on the polarity of reaction media and properties of free radical reactive species.
AB  - U ovom radu su ispitivane ΔHBDE, ΔHIP, i ΔHPA vrednosti odgovarajućih reakcija u rastvaračima različite (voda i pentiletanoat). Primenjen je pristup zasnovan na entalpijama reakcija povezanih sa HAT, SPLET, i SET-PT mehanizmima galne kiseline sa određenim radikalima (•OO-, •OH, i CH3OO•). Rezultati pokazuju da termodinamički favorizovan mehanizam zavisi od polarnosti rastvarača u kome se reakcija odvija i osobina slobodno radikalske vrste koja reaguje.
C3  - 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.
T1  - Investigation of Reaction of Gallic Acid with Superoxide Radical Anion, Hydroxyl Radical and Methyl Peroxy Radical
T1  - Ispitivanje reakcije galne kiseline sa superoksid radikalom, hidroksilnim radikalom i metilperoksidnim radikalom
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5564
ER  - 

@conference{
author = "Djorović, J and Marković, Zoran and Jeremić, S and Milenković, D",
year = "2014",
abstract = "In this paper are investigated the ΔHBDE, ΔHIP, and ΔHPA values of the corresponding reactions in the solvents of different polarity (water and pentylethanoate). An approach based on the enthalpies of the reactions related to the HAT, SPLET, and SET-PT mechanisms of gallic acid with some radicals (•OO-, •OH, and CH3OO•) is applied. The results show that thermodynamically favored mechanism depends on the polarity of reaction media and properties of free radical reactive species., U ovom radu su ispitivane ΔHBDE, ΔHIP, i ΔHPA vrednosti odgovarajućih reakcija u rastvaračima različite (voda i pentiletanoat). Primenjen je pristup zasnovan na entalpijama reakcija povezanih sa HAT, SPLET, i SET-PT mehanizmima galne kiseline sa određenim radikalima (•OO-, •OH, i CH3OO•). Rezultati pokazuju da termodinamički favorizovan mehanizam zavisi od polarnosti rastvarača u kome se reakcija odvija i osobina slobodno radikalske vrste koja reaguje.",
journal = "19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.",
title = "Investigation of Reaction of Gallic Acid with Superoxide Radical Anion, Hydroxyl Radical and Methyl Peroxy Radical, Ispitivanje reakcije galne kiseline sa superoksid radikalom, hidroksilnim radikalom i metilperoksidnim radikalom",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5564"
}

Djorović, J., Marković, Z., Jeremić, S.,& Milenković, D.. (2014). Investigation of Reaction of Gallic Acid with Superoxide Radical Anion, Hydroxyl Radical and Methyl Peroxy Radical. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014..
https://hdl.handle.net/21.15107/rcub_agrospace_5564

Djorović J, Marković Z, Jeremić S, Milenković D. Investigation of Reaction of Gallic Acid with Superoxide Radical Anion, Hydroxyl Radical and Methyl Peroxy Radical. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.. 2014;.
https://hdl.handle.net/21.15107/rcub_agrospace_5564 .

Djorović, J, Marković, Zoran, Jeremić, S, Milenković, D, "Investigation of Reaction of Gallic Acid with Superoxide Radical Anion, Hydroxyl Radical and Methyl Peroxy Radical" in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014. (2014),
https://hdl.handle.net/21.15107/rcub_agrospace_5564 .

TY  - CONF
AU  - Jeremić, S
AU  - Marković, Zoran
AU  - Milenković, D
AU  - Djorović, J
AU  - Jovanović, G
PY  - 2014
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5560
AB  - In this paper antioxidative mechanisms HAT, SPLET and SET-PT of the carboxylate anion of gallic acid (GA¯) with different radicals (OO−, OH, and CH3OO) were investigated. For this reason were examined ΔHBDE, ΔHIP and ΔHPA values of the corresponding reactions in water and pentyl ethanoate as solvents. For this purpose the M052X/6-311++G(d,p) theoretical models was applied. It was found that SET-PT is not favorable reaction path for all anions of GA (GA¯) in both solvents. On the other hand, HAT and SPLET mechanisms are competitive in all cases. Which of mentioned reaction path is predominant depends on the properties of anions, radicals and solvents.
AB  - U ovom radu su ispitani HAT, SPLET i SET-PT mehanizmi antioksidativnog delovanja karboksilatnog anjona galne kiseline (GA¯) sa različitim radikalima (OO−, OH i CH3OO). U tom cilju ispitane su ΔHBDE, ΔHIP i ΔHPA vrednosti odgovarajućih reakcija u vodi i pentiletanoatu kao rastvaračima. Za to je korišćen M052X/6- 311++G(d,p) teorijski model. Nađeno je da SET-PT mehanizam nije povoljan reakcioni put niti za jedan anjon galne kiseline (GA¯) u oba rastvarača. S druge strane, HAT i SPLET mehanizmi su konkurentni u svim slučajevima. Koji od reakcionih puteva je predominantan zavisi od osobina anjona, radikala i rastvarača.
C3  - 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.
T1  - Scavening Potency of Anion of Gallic Acid with Different Radicals
T1  - Antioksidativni potencijal anjona galne kiseline u reakciji sa različitim radikalima
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_5560
ER  - 

@conference{
author = "Jeremić, S and Marković, Zoran and Milenković, D and Djorović, J and Jovanović, G",
year = "2014",
abstract = "In this paper antioxidative mechanisms HAT, SPLET and SET-PT of the carboxylate anion of gallic acid (GA¯) with different radicals (OO−, OH, and CH3OO) were investigated. For this reason were examined ΔHBDE, ΔHIP and ΔHPA values of the corresponding reactions in water and pentyl ethanoate as solvents. For this purpose the M052X/6-311++G(d,p) theoretical models was applied. It was found that SET-PT is not favorable reaction path for all anions of GA (GA¯) in both solvents. On the other hand, HAT and SPLET mechanisms are competitive in all cases. Which of mentioned reaction path is predominant depends on the properties of anions, radicals and solvents., U ovom radu su ispitani HAT, SPLET i SET-PT mehanizmi antioksidativnog delovanja karboksilatnog anjona galne kiseline (GA¯) sa različitim radikalima (OO−, OH i CH3OO). U tom cilju ispitane su ΔHBDE, ΔHIP i ΔHPA vrednosti odgovarajućih reakcija u vodi i pentiletanoatu kao rastvaračima. Za to je korišćen M052X/6- 311++G(d,p) teorijski model. Nađeno je da SET-PT mehanizam nije povoljan reakcioni put niti za jedan anjon galne kiseline (GA¯) u oba rastvarača. S druge strane, HAT i SPLET mehanizmi su konkurentni u svim slučajevima. Koji od reakcionih puteva je predominantan zavisi od osobina anjona, radikala i rastvarača.",
journal = "19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.",
title = "Scavening Potency of Anion of Gallic Acid with Different Radicals, Antioksidativni potencijal anjona galne kiseline u reakciji sa različitim radikalima",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_5560"
}

Jeremić, S., Marković, Z., Milenković, D., Djorović, J.,& Jovanović, G.. (2014). Scavening Potency of Anion of Gallic Acid with Different Radicals. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014..
https://hdl.handle.net/21.15107/rcub_agrospace_5560

Jeremić S, Marković Z, Milenković D, Djorović J, Jovanović G. Scavening Potency of Anion of Gallic Acid with Different Radicals. in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014.. 2014;.
https://hdl.handle.net/21.15107/rcub_agrospace_5560 .

Jeremić, S, Marković, Zoran, Milenković, D, Djorović, J, Jovanović, G, "Scavening Potency of Anion of Gallic Acid with Different Radicals" in 19. Savetovanje o biotehnologiji sa međunarodnim učešćem, Čačak, 07.- 08. 03. 2014. (2014),
https://hdl.handle.net/21.15107/rcub_agrospace_5560 .