Studies of enzyme interactions with toxic and pharmacologically active molecules

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Studies of enzyme interactions with toxic and pharmacologically active molecules (en)
Истраживања интеракција ензима са токсичним и фармаколошки активним молекулима (sr)
Istraživanja interakcija enzima sa toksičnim i farmakološki aktivnim molekulima (sr_RS)
Authors

Publications

Synthesis and characterization of luminescent Cu2+–doped fluorapatite nanocrystals as potential broad–spectrum antimicrobial agents

Milojkov, Dušan V.; Radosavljević-Mihajlović, Ana S.; Stanić, Vojislav Đ.; Nastasijević, Branislav J.; Radotić, Ksenija; Janković-Častvan, Ivona; Živković-Radovanović, Vukosava

(Elsevier B.V., 2023)

TY  - JOUR
AU  - Milojkov, Dušan V.
AU  - Radosavljević-Mihajlović, Ana S.
AU  - Stanić, Vojislav Đ.
AU  - Nastasijević, Branislav J.
AU  - Radotić, Ksenija
AU  - Janković-Častvan, Ivona
AU  - Živković-Radovanović, Vukosava
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5664
AB  - Nanomaterials based on metal–doped fluorapatite (FAP) have attracted considerable interest as potential next–generation antimicrobial agents. In this study, Cu2+–doped FAP nanocrystals have been successfully synthesized by a neutralization method at room temperature. Their structural, optical, antimicrobial, and hemcompatible properties have been investigated. XRD, FTIR, FESEM, and N2 adsorption–desorption studies indicate the formation of single–phase FAP mesoporous nanopowders, composed of rod–like particles. TEM images confirmed the formation of nanorodes with a length of 60 nm and a width of about 18 nm. Rietveld analysis shows that the Cu2+ ions preferentially substitute Ca2 (6 h) sites in the hexagonal fluorapatite crystal structure. Fluorescence spectroscopy accompanied by MCR–ALS method confirms substitution of Cu2+ ions in FAP crystal lattice with extracting additional d–d band transition at green color from FAP broadband self–activated luminescence in violet–blue color. Antimicrobial studies conducted on Staphylococcus aureus, Escherichia coli and Micrococcus lysodeikticus showed that FAP nanopowder with the highest Cu2+ content have strong bacteriostatic action on Staphylococcus aureus bacterial strain in mediums containing nutrition matters. In addition, this sample in comparison to pure FAP achieved a high percentage of relative reduction of bacterial population for all three species, being >90% in most cases. Fungistatic action is noticed too, throwgh the slowing down mycelium growth of fungus Aspergillus niger, Aspergillus flavus and Penicillium roqueforti and reduction of sporulation of Aspergillus niger species. Cu2+–doped FAP nanocrystals shows a synergistic antimicrobial effect with Cu2+ and F− ions. Concerning the potential biomedical applications, the hemolysis ratios of the Cu2+–doped FAP samples were below 5%. The obtained results pointed out the possible use of the synthesized nanocrystals as broad–spectrum antimicrobial agents for various biomedical and health care preparations.
PB  - Elsevier B.V.
T2  - Journal of Photochemistry and Photobiology B: Biology
T1  - Synthesis and characterization of luminescent Cu2+–doped fluorapatite nanocrystals as potential broad–spectrum antimicrobial agents
SP  - 112649
VL  - 239
DO  - 10.1016/j.jphotobiol.2023.112649
ER  - 
@article{
author = "Milojkov, Dušan V. and Radosavljević-Mihajlović, Ana S. and Stanić, Vojislav Đ. and Nastasijević, Branislav J. and Radotić, Ksenija and Janković-Častvan, Ivona and Živković-Radovanović, Vukosava",
year = "2023",
abstract = "Nanomaterials based on metal–doped fluorapatite (FAP) have attracted considerable interest as potential next–generation antimicrobial agents. In this study, Cu2+–doped FAP nanocrystals have been successfully synthesized by a neutralization method at room temperature. Their structural, optical, antimicrobial, and hemcompatible properties have been investigated. XRD, FTIR, FESEM, and N2 adsorption–desorption studies indicate the formation of single–phase FAP mesoporous nanopowders, composed of rod–like particles. TEM images confirmed the formation of nanorodes with a length of 60 nm and a width of about 18 nm. Rietveld analysis shows that the Cu2+ ions preferentially substitute Ca2 (6 h) sites in the hexagonal fluorapatite crystal structure. Fluorescence spectroscopy accompanied by MCR–ALS method confirms substitution of Cu2+ ions in FAP crystal lattice with extracting additional d–d band transition at green color from FAP broadband self–activated luminescence in violet–blue color. Antimicrobial studies conducted on Staphylococcus aureus, Escherichia coli and Micrococcus lysodeikticus showed that FAP nanopowder with the highest Cu2+ content have strong bacteriostatic action on Staphylococcus aureus bacterial strain in mediums containing nutrition matters. In addition, this sample in comparison to pure FAP achieved a high percentage of relative reduction of bacterial population for all three species, being >90% in most cases. Fungistatic action is noticed too, throwgh the slowing down mycelium growth of fungus Aspergillus niger, Aspergillus flavus and Penicillium roqueforti and reduction of sporulation of Aspergillus niger species. Cu2+–doped FAP nanocrystals shows a synergistic antimicrobial effect with Cu2+ and F− ions. Concerning the potential biomedical applications, the hemolysis ratios of the Cu2+–doped FAP samples were below 5%. The obtained results pointed out the possible use of the synthesized nanocrystals as broad–spectrum antimicrobial agents for various biomedical and health care preparations.",
publisher = "Elsevier B.V.",
journal = "Journal of Photochemistry and Photobiology B: Biology",
title = "Synthesis and characterization of luminescent Cu2+–doped fluorapatite nanocrystals as potential broad–spectrum antimicrobial agents",
pages = "112649",
volume = "239",
doi = "10.1016/j.jphotobiol.2023.112649"
}
Milojkov, D. V., Radosavljević-Mihajlović, A. S., Stanić, V. Đ., Nastasijević, B. J., Radotić, K., Janković-Častvan, I.,& Živković-Radovanović, V.. (2023). Synthesis and characterization of luminescent Cu2+–doped fluorapatite nanocrystals as potential broad–spectrum antimicrobial agents. in Journal of Photochemistry and Photobiology B: Biology
Elsevier B.V.., 239, 112649.
https://doi.org/10.1016/j.jphotobiol.2023.112649
Milojkov DV, Radosavljević-Mihajlović AS, Stanić VĐ, Nastasijević BJ, Radotić K, Janković-Častvan I, Živković-Radovanović V. Synthesis and characterization of luminescent Cu2+–doped fluorapatite nanocrystals as potential broad–spectrum antimicrobial agents. in Journal of Photochemistry and Photobiology B: Biology. 2023;239:112649.
doi:10.1016/j.jphotobiol.2023.112649 .
Milojkov, Dušan V., Radosavljević-Mihajlović, Ana S., Stanić, Vojislav Đ., Nastasijević, Branislav J., Radotić, Ksenija, Janković-Častvan, Ivona, Živković-Radovanović, Vukosava, "Synthesis and characterization of luminescent Cu2+–doped fluorapatite nanocrystals as potential broad–spectrum antimicrobial agents" in Journal of Photochemistry and Photobiology B: Biology, 239 (2023):112649,
https://doi.org/10.1016/j.jphotobiol.2023.112649 . .
2
1

ANN prediction of the efficiency of the decolourisation of organic dyes in wastewater by plasma needle

Mitrović, Tatjana; Ristić, Mirjana; Perić-Grujić, Aleksandra; Lazović, Saša

(Srpsko hemijsko društvo, Beograd, 2020)

TY  - JOUR
AU  - Mitrović, Tatjana
AU  - Ristić, Mirjana
AU  - Perić-Grujić, Aleksandra
AU  - Lazović, Saša
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4513
AB  - In this paper, the results of decolourisation of Reactive Orange 16 (RO 16), Reactive Blue 19 (RB 19) and Direct Red 28 (DR 28) textile dyes in aqueous solution by plasma needle are presented. Treatment time, feed gas flow rate (1, 4 and 8 dm(3)min(-1)) and gas composition (Ar, Ar/O-2) were optimized to achieve the best performance of the plasma treatment. An artificial neural network (ANN) was used for the prediction of parameters relevant for the decolourisation outcome. It was found that more than 95 % decolourisation could be achieved for all three dyes after plasma treatment, although the decolourisation of DR 28 was much slower than those of the other two dyes, which could be explained by the complexity of its molecular structure. It was concluded that the oxidation was very dependent on all three mentioned parameters. The ANN predicted the treatment time as the crucial factor for decolourisation performance of RO 16 and DR 28, while the Ar flow rate was the most relevant for RB 19 decolourisation. The obtained results suggest that the plasma needle is a promising tool for the oxidation of organic pollutants and that an ANN could be used for optimization of the treatment parameters to achieve high removal rates.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - ANN prediction of the efficiency of the decolourisation of organic dyes in wastewater by plasma needle
EP  - 844
IS  - 6
SP  - 831
VL  - 85
DO  - 10.2298/JSC191004002M
ER  - 
@article{
author = "Mitrović, Tatjana and Ristić, Mirjana and Perić-Grujić, Aleksandra and Lazović, Saša",
year = "2020",
abstract = "In this paper, the results of decolourisation of Reactive Orange 16 (RO 16), Reactive Blue 19 (RB 19) and Direct Red 28 (DR 28) textile dyes in aqueous solution by plasma needle are presented. Treatment time, feed gas flow rate (1, 4 and 8 dm(3)min(-1)) and gas composition (Ar, Ar/O-2) were optimized to achieve the best performance of the plasma treatment. An artificial neural network (ANN) was used for the prediction of parameters relevant for the decolourisation outcome. It was found that more than 95 % decolourisation could be achieved for all three dyes after plasma treatment, although the decolourisation of DR 28 was much slower than those of the other two dyes, which could be explained by the complexity of its molecular structure. It was concluded that the oxidation was very dependent on all three mentioned parameters. The ANN predicted the treatment time as the crucial factor for decolourisation performance of RO 16 and DR 28, while the Ar flow rate was the most relevant for RB 19 decolourisation. The obtained results suggest that the plasma needle is a promising tool for the oxidation of organic pollutants and that an ANN could be used for optimization of the treatment parameters to achieve high removal rates.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "ANN prediction of the efficiency of the decolourisation of organic dyes in wastewater by plasma needle",
pages = "844-831",
number = "6",
volume = "85",
doi = "10.2298/JSC191004002M"
}
Mitrović, T., Ristić, M., Perić-Grujić, A.,& Lazović, S.. (2020). ANN prediction of the efficiency of the decolourisation of organic dyes in wastewater by plasma needle. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 85(6), 831-844.
https://doi.org/10.2298/JSC191004002M
Mitrović T, Ristić M, Perić-Grujić A, Lazović S. ANN prediction of the efficiency of the decolourisation of organic dyes in wastewater by plasma needle. in Journal of the Serbian Chemical Society. 2020;85(6):831-844.
doi:10.2298/JSC191004002M .
Mitrović, Tatjana, Ristić, Mirjana, Perić-Grujić, Aleksandra, Lazović, Saša, "ANN prediction of the efficiency of the decolourisation of organic dyes in wastewater by plasma needle" in Journal of the Serbian Chemical Society, 85, no. 6 (2020):831-844,
https://doi.org/10.2298/JSC191004002M . .
5
2
4

New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures

Janjić, Goran; Jelić, Stefan; Trišović, Nemanja; Popović, Dragan; Đorđević, Ivana; Milčić, Miloš

(Amer Chemical Soc, Washington, 2020)

TY  - JOUR
AU  - Janjić, Goran
AU  - Jelić, Stefan
AU  - Trišović, Nemanja
AU  - Popović, Dragan
AU  - Đorđević, Ivana
AU  - Milčić, Miloš
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4527
AB  - Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F center dot center dot center dot F interactions is followed by the shift of the electron density in the area of F center dot center dot center dot F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F center dot center dot center dot F interactions in crystal structures, but also a large number of structures with F center dot center dot center dot O interactions. Only C-H center dot center dot center dot F interactions are more numerous than F center dot center dot center dot F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth & Design
T1  - New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures
EP  - 2951
IS  - 5
SP  - 2943
VL  - 20
DO  - 10.1021/acs.cgd.9b01565
ER  - 
@article{
author = "Janjić, Goran and Jelić, Stefan and Trišović, Nemanja and Popović, Dragan and Đorđević, Ivana and Milčić, Miloš",
year = "2020",
abstract = "Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F center dot center dot center dot F interactions is followed by the shift of the electron density in the area of F center dot center dot center dot F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F center dot center dot center dot F interactions in crystal structures, but also a large number of structures with F center dot center dot center dot O interactions. Only C-H center dot center dot center dot F interactions are more numerous than F center dot center dot center dot F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth & Design",
title = "New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures",
pages = "2951-2943",
number = "5",
volume = "20",
doi = "10.1021/acs.cgd.9b01565"
}
Janjić, G., Jelić, S., Trišović, N., Popović, D., Đorđević, I.,& Milčić, M.. (2020). New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth & Design
Amer Chemical Soc, Washington., 20(5), 2943-2951.
https://doi.org/10.1021/acs.cgd.9b01565
Janjić G, Jelić S, Trišović N, Popović D, Đorđević I, Milčić M. New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth & Design. 2020;20(5):2943-2951.
doi:10.1021/acs.cgd.9b01565 .
Janjić, Goran, Jelić, Stefan, Trišović, Nemanja, Popović, Dragan, Đorđević, Ivana, Milčić, Miloš, "New Theoretical Insight into Fluorination and Fluorine-Fluorine Interactions as a Driving Force in Crystal Structures" in Crystal Growth & Design, 20, no. 5 (2020):2943-2951,
https://doi.org/10.1021/acs.cgd.9b01565 . .
29
9
25

Solid-State Synthesis of Silver Nanoparticles and Their Catalytic Application in Methylene Blue Reduction

Veljović, Đorđe; Gurešić, Dejan; Jokić, Anja B.; Vasić, Vesna M.; Laban, Bojana B.

(Wiley-VCH Verlag Gmbh, Weinheim, 2020)

TY  - JOUR
AU  - Veljović, Đorđe
AU  - Gurešić, Dejan
AU  - Jokić, Anja B.
AU  - Vasić, Vesna M.
AU  - Laban, Bojana B.
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4369
AB  - The silver nanoparticles (Ag NPs) were successfully synthesized by a facile solid-state chemical method. Ag NPs were obtained by a mechanochemical reaction between silver nitrate and sodium citrate, with the constant stirring and heating of reactants. The size and morphology characterization of NPs powder was performed by scanning electron microscopy. The obtained NPs were spherical with a 36 nm average particle size diameter. UV-Vis spectroscopy, dynamic light scattering, and zeta potential measurements were used in order to characterize the surface plasmon band position in colloid dispersion and the NPs charges. Obtained NPs were utilized as a catalyst in the process of methylene blue (MB) reduction in the presence of sodium-borohydride. Kinetic measurements of uncatalyzed and catalyzed reduction were carried out using the stopped-flow technique, keeping the concentration of reactant constant. Mechanism of MB reduction in the presence of catalyst Ag NPs is elucidated as a consecutive two first-order reactions. The results of these studies support the hypothesis that NPs participated in electron transfer.
PB  - Wiley-VCH Verlag Gmbh, Weinheim
T2  - Chemistryselect
T1  - Solid-State Synthesis of Silver Nanoparticles and Their Catalytic Application in Methylene Blue Reduction
EP  - 10494
IS  - 34
SP  - 10488
VL  - 5
DO  - 10.1002/slct.202001829
ER  - 
@article{
author = "Veljović, Đorđe and Gurešić, Dejan and Jokić, Anja B. and Vasić, Vesna M. and Laban, Bojana B.",
year = "2020",
abstract = "The silver nanoparticles (Ag NPs) were successfully synthesized by a facile solid-state chemical method. Ag NPs were obtained by a mechanochemical reaction between silver nitrate and sodium citrate, with the constant stirring and heating of reactants. The size and morphology characterization of NPs powder was performed by scanning electron microscopy. The obtained NPs were spherical with a 36 nm average particle size diameter. UV-Vis spectroscopy, dynamic light scattering, and zeta potential measurements were used in order to characterize the surface plasmon band position in colloid dispersion and the NPs charges. Obtained NPs were utilized as a catalyst in the process of methylene blue (MB) reduction in the presence of sodium-borohydride. Kinetic measurements of uncatalyzed and catalyzed reduction were carried out using the stopped-flow technique, keeping the concentration of reactant constant. Mechanism of MB reduction in the presence of catalyst Ag NPs is elucidated as a consecutive two first-order reactions. The results of these studies support the hypothesis that NPs participated in electron transfer.",
publisher = "Wiley-VCH Verlag Gmbh, Weinheim",
journal = "Chemistryselect",
title = "Solid-State Synthesis of Silver Nanoparticles and Their Catalytic Application in Methylene Blue Reduction",
pages = "10494-10488",
number = "34",
volume = "5",
doi = "10.1002/slct.202001829"
}
Veljović, Đ., Gurešić, D., Jokić, A. B., Vasić, V. M.,& Laban, B. B.. (2020). Solid-State Synthesis of Silver Nanoparticles and Their Catalytic Application in Methylene Blue Reduction. in Chemistryselect
Wiley-VCH Verlag Gmbh, Weinheim., 5(34), 10488-10494.
https://doi.org/10.1002/slct.202001829
Veljović Đ, Gurešić D, Jokić AB, Vasić VM, Laban BB. Solid-State Synthesis of Silver Nanoparticles and Their Catalytic Application in Methylene Blue Reduction. in Chemistryselect. 2020;5(34):10488-10494.
doi:10.1002/slct.202001829 .
Veljović, Đorđe, Gurešić, Dejan, Jokić, Anja B., Vasić, Vesna M., Laban, Bojana B., "Solid-State Synthesis of Silver Nanoparticles and Their Catalytic Application in Methylene Blue Reduction" in Chemistryselect, 5, no. 34 (2020):10488-10494,
https://doi.org/10.1002/slct.202001829 . .
3
3
1
2

Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study

Trišović, Nemanja; Radovanović, Lidija; Janjić, Goran V.; Jelić, Stefan T.; Rogan, Jelena

(American Chemical Society (ACS), 2019)

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Radovanović, Lidija
AU  - Janjić, Goran V.
AU  - Jelić, Stefan T.
AU  - Rogan, Jelena
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4244
AB  - A series of five derivatives of the anticonvulsant drug phenytoin was synthesized, and their crystal structures were determined. The relationship between the molecular and crystal structure of the investigated compounds was rationalized in the context of contribution of intermolecular interactions and supramolecular structural motifs. The conformational preferences were analyzed by comparing the rotational freedom of the phenyl groups in the investigated compounds with 5,5-diphenylhydantoins from the Cambridge Structural Database. With the exception of compound 3 bearing the cyclopropyl group, the crystal packing of the investigated compounds contains centrosymmetric dimers linked by paired N-H center dot center dot center dot O hydrogen bonds, which further self-organize through pairs of C-H center dot center dot center dot O interactions and a parallel interaction of two phenyl rings at a large offset into chains running along the c-axis. The principal feature of the crystal structure of compound 3 is formation of the chains by N-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions. The coordination of phenytoin enables more rotational freedom for the phenyl groups. An emphasis was placed on docking of the investigated compounds into the voltage-gated ion channel in the open and closed state. The obtained results indicate that hydrogen bonding and hydrophobic interactions are dominant in stabilizing energetically favored orientations of the investigated compounds bound to the protein.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study
EP  - 2174
IS  - 4
SP  - 2163
VL  - 19
DO  - 10.1021/acs.cgd.8b01776
ER  - 
@article{
author = "Trišović, Nemanja and Radovanović, Lidija and Janjić, Goran V. and Jelić, Stefan T. and Rogan, Jelena",
year = "2019",
abstract = "A series of five derivatives of the anticonvulsant drug phenytoin was synthesized, and their crystal structures were determined. The relationship between the molecular and crystal structure of the investigated compounds was rationalized in the context of contribution of intermolecular interactions and supramolecular structural motifs. The conformational preferences were analyzed by comparing the rotational freedom of the phenyl groups in the investigated compounds with 5,5-diphenylhydantoins from the Cambridge Structural Database. With the exception of compound 3 bearing the cyclopropyl group, the crystal packing of the investigated compounds contains centrosymmetric dimers linked by paired N-H center dot center dot center dot O hydrogen bonds, which further self-organize through pairs of C-H center dot center dot center dot O interactions and a parallel interaction of two phenyl rings at a large offset into chains running along the c-axis. The principal feature of the crystal structure of compound 3 is formation of the chains by N-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions. The coordination of phenytoin enables more rotational freedom for the phenyl groups. An emphasis was placed on docking of the investigated compounds into the voltage-gated ion channel in the open and closed state. The obtained results indicate that hydrogen bonding and hydrophobic interactions are dominant in stabilizing energetically favored orientations of the investigated compounds bound to the protein.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study",
pages = "2174-2163",
number = "4",
volume = "19",
doi = "10.1021/acs.cgd.8b01776"
}
Trišović, N., Radovanović, L., Janjić, G. V., Jelić, S. T.,& Rogan, J.. (2019). Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study. in Crystal Growth & Design
American Chemical Society (ACS)., 19(4), 2163-2174.
https://doi.org/10.1021/acs.cgd.8b01776
Trišović N, Radovanović L, Janjić GV, Jelić ST, Rogan J. Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study. in Crystal Growth & Design. 2019;19(4):2163-2174.
doi:10.1021/acs.cgd.8b01776 .
Trišović, Nemanja, Radovanović, Lidija, Janjić, Goran V., Jelić, Stefan T., Rogan, Jelena, "Substituent Effects on the Patterns of Intermolecular Interactions of 3-Alkyl and 3-Cycloalkyl Derivatives of Phenytoin: A Crystallographic and Quantum-Chemical Study" in Crystal Growth & Design, 19, no. 4 (2019):2163-2174,
https://doi.org/10.1021/acs.cgd.8b01776 . .
3
2

Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution

Suručić, Ljiljana T.; Janjić, Goran; Rakić, Aleksandra; Nastasović, Aleksandra; Popović, Aleksandar R.; Milčić, Miloš; Onjia, Antonije

(Springer, New York, 2019)

TY  - JOUR
AU  - Suručić, Ljiljana T.
AU  - Janjić, Goran
AU  - Rakić, Aleksandra
AU  - Nastasović, Aleksandra
AU  - Popović, Aleksandar R.
AU  - Milčić, Miloš
AU  - Onjia, Antonije
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4217
AB  - With regard to the harmful effects of heavy metals on human health and the environment, the demand for synthesis and investigation of macromolecules with large capacity of harmful substances sorption is ever greater. Quantum-chemical methods may be applied in structural modeling, prediction, and characterization of such molecules and reactions. Sorption of metal ions (Cu2+, Cd2+, Co2+, and Ni2+) to triethylenetetramine-functionalized copolymer poly(GMA-co-EGDMA)-teta was successfully modeled by quantum chemical calculations, at the B3LYP//6-311++G**/lanl2dz level. Optimized structures of metal complexes were used for calculation of real binding energy of metal ion within the complex (Er). Solvent and hydrolyzation effects were essential for obtaining the objective values. Solvent effect was included in Er by using the total solvation energy for reaction of formation of tetaOH complex (Es1, the first approach) or by using dehydration energy of free metal ion (Es2, the second approach). Experimental results were confirmed in our theoretical analyses (using the second approach).
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution
IS  - 6
VL  - 25
DO  - 10.1007/s00894-019-4053-0
ER  - 
@article{
author = "Suručić, Ljiljana T. and Janjić, Goran and Rakić, Aleksandra and Nastasović, Aleksandra and Popović, Aleksandar R. and Milčić, Miloš and Onjia, Antonije",
year = "2019",
abstract = "With regard to the harmful effects of heavy metals on human health and the environment, the demand for synthesis and investigation of macromolecules with large capacity of harmful substances sorption is ever greater. Quantum-chemical methods may be applied in structural modeling, prediction, and characterization of such molecules and reactions. Sorption of metal ions (Cu2+, Cd2+, Co2+, and Ni2+) to triethylenetetramine-functionalized copolymer poly(GMA-co-EGDMA)-teta was successfully modeled by quantum chemical calculations, at the B3LYP//6-311++G**/lanl2dz level. Optimized structures of metal complexes were used for calculation of real binding energy of metal ion within the complex (Er). Solvent and hydrolyzation effects were essential for obtaining the objective values. Solvent effect was included in Er by using the total solvation energy for reaction of formation of tetaOH complex (Es1, the first approach) or by using dehydration energy of free metal ion (Es2, the second approach). Experimental results were confirmed in our theoretical analyses (using the second approach).",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution",
number = "6",
volume = "25",
doi = "10.1007/s00894-019-4053-0"
}
Suručić, L. T., Janjić, G., Rakić, A., Nastasović, A., Popović, A. R., Milčić, M.,& Onjia, A.. (2019). Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution. in Journal of Molecular Modeling
Springer, New York., 25(6).
https://doi.org/10.1007/s00894-019-4053-0
Suručić LT, Janjić G, Rakić A, Nastasović A, Popović AR, Milčić M, Onjia A. Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution. in Journal of Molecular Modeling. 2019;25(6).
doi:10.1007/s00894-019-4053-0 .
Suručić, Ljiljana T., Janjić, Goran, Rakić, Aleksandra, Nastasović, Aleksandra, Popović, Aleksandar R., Milčić, Miloš, Onjia, Antonije, "Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution" in Journal of Molecular Modeling, 25, no. 6 (2019),
https://doi.org/10.1007/s00894-019-4053-0 . .
3
1
3

Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions

Suručić, Ljiljana T.; Nastasović, Aleksandra; Onjia, Antonije; Janjić, Goran; Rakić, Aleksandra

(Srpsko hemijsko društvo, Beograd, 2019)

TY  - JOUR
AU  - Suručić, Ljiljana T.
AU  - Nastasović, Aleksandra
AU  - Onjia, Antonije
AU  - Janjić, Goran
AU  - Rakić, Aleksandra
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4208
AB  - Polymer-based, highly porous nanocomposites with functionalized ligands attached to the core structure are extremely efficient in the detection, removal and recovery of metals through the process of sorption. Quantum-chemical models could be helpful for sorption process analyses. The sorption of Cu(II) ions by amino-functionalized chelating macroporous copolymers poly(GMA-co-EGDMA)-amine and sorption selectivity of the subject copolymers, ethylenediamine (en), diethylenetriamine (dien) and triethylenetetramine (trien), were successfully modelled by quantum chemical calculations. Considering the crystal structures from CSD and experimental conditions during the formation of metal complexes, the most frequent mononuclear complexes are those with the tetradentate teta ligand, while binuclear complexes are formed when the metal ion is in large excess. Although the en-copolymer was the most effective functionalized one, higher maximum sorption capacities (Q(max)) were observed for the dien- and trien-copolymers, due to their abilities to form binuclear complexes. The enthalpy term has the greatest contribution to the total Gibbs energy change of reaction for the formation of mononuclear Cu(II) complexes (Delta G(aq)), while the solvation energy of the reaction has the greatest contribution in the formation of binuclear complexes. The results of the study indicate that small amines with the ability to form binuclear complex are the best choice for functionalization of the considered copolymer.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions
EP  - 1404
IS  - 12
SP  - 1391
VL  - 84
DO  - 10.2298/JSC190125031S
ER  - 
@article{
author = "Suručić, Ljiljana T. and Nastasović, Aleksandra and Onjia, Antonije and Janjić, Goran and Rakić, Aleksandra",
year = "2019",
abstract = "Polymer-based, highly porous nanocomposites with functionalized ligands attached to the core structure are extremely efficient in the detection, removal and recovery of metals through the process of sorption. Quantum-chemical models could be helpful for sorption process analyses. The sorption of Cu(II) ions by amino-functionalized chelating macroporous copolymers poly(GMA-co-EGDMA)-amine and sorption selectivity of the subject copolymers, ethylenediamine (en), diethylenetriamine (dien) and triethylenetetramine (trien), were successfully modelled by quantum chemical calculations. Considering the crystal structures from CSD and experimental conditions during the formation of metal complexes, the most frequent mononuclear complexes are those with the tetradentate teta ligand, while binuclear complexes are formed when the metal ion is in large excess. Although the en-copolymer was the most effective functionalized one, higher maximum sorption capacities (Q(max)) were observed for the dien- and trien-copolymers, due to their abilities to form binuclear complexes. The enthalpy term has the greatest contribution to the total Gibbs energy change of reaction for the formation of mononuclear Cu(II) complexes (Delta G(aq)), while the solvation energy of the reaction has the greatest contribution in the formation of binuclear complexes. The results of the study indicate that small amines with the ability to form binuclear complex are the best choice for functionalization of the considered copolymer.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions",
pages = "1404-1391",
number = "12",
volume = "84",
doi = "10.2298/JSC190125031S"
}
Suručić, L. T., Nastasović, A., Onjia, A., Janjić, G.,& Rakić, A.. (2019). Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 84(12), 1391-1404.
https://doi.org/10.2298/JSC190125031S
Suručić LT, Nastasović A, Onjia A, Janjić G, Rakić A. Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions. in Journal of the Serbian Chemical Society. 2019;84(12):1391-1404.
doi:10.2298/JSC190125031S .
Suručić, Ljiljana T., Nastasović, Aleksandra, Onjia, Antonije, Janjić, Goran, Rakić, Aleksandra, "Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions" in Journal of the Serbian Chemical Society, 84, no. 12 (2019):1391-1404,
https://doi.org/10.2298/JSC190125031S . .
5
1
5

Heteroatom-doped mesoporous carbons as efficient adsorbents for removal of dimethoate and omethoate from water

Lazarević-Pašti, Tamara; Pašti, Igor A.; Jokić, Bojan M.; Babić, Biljana M.; Vasić, Vesna M.

(Royal Society of Chemistry, 2016)

TY  - JOUR
AU  - Lazarević-Pašti, Tamara
AU  - Pašti, Igor A.
AU  - Jokić, Bojan M.
AU  - Babić, Biljana M.
AU  - Vasić, Vesna M.
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5828
AB  - Extensive use of organophosphate pesticides (OPs) invokes development of efficient procedures for their removal from the environment. By introducing low levels ( LT 1 at%) of B, N or P into the structure of mesoporous carbons, we have produced a series of materials with different surface chemical composition, textural properties and level of structural disorder. These adsorbents were applied for removal of dimethoate and its oxo-analogue omethoate from aqueous solutions under batch adsorption conditions and by filtration using modified nylon membrane filters. Adsorption capacities up to 164 mg g(-1) were measured, with OPs uptake typically above 80% for dimethoate concentration as high as 5 x 10(-3) mol dm(-3). After the adsorption, neurotoxic effects of OP-containing water samples were significantly reduced or completely removed. The level of structural disorder was identified as a key parameter for efficient removal of dimethoate and omethoate while in the filtration experiments surface area of adsorbents also played an important role. While the presented research appeals to new fundamental studies of OP-carbon surface interactions, it also indicates a possible strategy in designing new efficient adsorbents for OPs removal from water.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Heteroatom-doped mesoporous carbons as efficient adsorbents for removal of dimethoate and omethoate from water
EP  - 62139
IS  - 67
SP  - 62128
VL  - 6
DO  - 10.1039/c6ra06736k
ER  - 
@article{
author = "Lazarević-Pašti, Tamara and Pašti, Igor A. and Jokić, Bojan M. and Babić, Biljana M. and Vasić, Vesna M.",
year = "2016",
abstract = "Extensive use of organophosphate pesticides (OPs) invokes development of efficient procedures for their removal from the environment. By introducing low levels ( LT 1 at%) of B, N or P into the structure of mesoporous carbons, we have produced a series of materials with different surface chemical composition, textural properties and level of structural disorder. These adsorbents were applied for removal of dimethoate and its oxo-analogue omethoate from aqueous solutions under batch adsorption conditions and by filtration using modified nylon membrane filters. Adsorption capacities up to 164 mg g(-1) were measured, with OPs uptake typically above 80% for dimethoate concentration as high as 5 x 10(-3) mol dm(-3). After the adsorption, neurotoxic effects of OP-containing water samples were significantly reduced or completely removed. The level of structural disorder was identified as a key parameter for efficient removal of dimethoate and omethoate while in the filtration experiments surface area of adsorbents also played an important role. While the presented research appeals to new fundamental studies of OP-carbon surface interactions, it also indicates a possible strategy in designing new efficient adsorbents for OPs removal from water.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Heteroatom-doped mesoporous carbons as efficient adsorbents for removal of dimethoate and omethoate from water",
pages = "62139-62128",
number = "67",
volume = "6",
doi = "10.1039/c6ra06736k"
}
Lazarević-Pašti, T., Pašti, I. A., Jokić, B. M., Babić, B. M.,& Vasić, V. M.. (2016). Heteroatom-doped mesoporous carbons as efficient adsorbents for removal of dimethoate and omethoate from water. in RSC Advances
Royal Society of Chemistry., 6(67), 62128-62139.
https://doi.org/10.1039/c6ra06736k
Lazarević-Pašti T, Pašti IA, Jokić BM, Babić BM, Vasić VM. Heteroatom-doped mesoporous carbons as efficient adsorbents for removal of dimethoate and omethoate from water. in RSC Advances. 2016;6(67):62128-62139.
doi:10.1039/c6ra06736k .
Lazarević-Pašti, Tamara, Pašti, Igor A., Jokić, Bojan M., Babić, Biljana M., Vasić, Vesna M., "Heteroatom-doped mesoporous carbons as efficient adsorbents for removal of dimethoate and omethoate from water" in RSC Advances, 6, no. 67 (2016):62128-62139,
https://doi.org/10.1039/c6ra06736k . .
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34

Organophosphorus insecticides: Toxic effects and bioanalytical tests for evaluating toxicity during degradation processes

Čolović, Mirjana B.; Krstić, Danijela Z.; Vasić, Vesna M.; Bondžić, Aleksandra M.; Ušćumlić, Gordana; Petrović, Slobodan

(Association of Chemical Engineers of Serbia, 2013)

TY  - JOUR
AU  - Čolović, Mirjana B.
AU  - Krstić, Danijela Z.
AU  - Vasić, Vesna M.
AU  - Bondžić, Aleksandra M.
AU  - Ušćumlić, Gordana
AU  - Petrović, Slobodan
PY  - 2013
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2373
AB  - Organophosphorus insecticides have been the most applied group of insectcides for the last two decades. Their main toxic effects are related to irreversible inactivation of acetylcholinesterase (AChE). Actually, they covalently bind to serine OH group in the enzyme active site forming phosphorylated enzyme that cannot hydrolyze acetylcholine. Organophosphorus insecticides in the environment undergo the natural degradation pathway including mainly homogeneous and heterogeneous hydrolysis (especially at high pH) generating non-inhibiting products. Additionally, thio organophosphates are easily oxidized by naturally present oxidants and UV light, forming more toxic and stable oxons. Thus, oxidative degradation procedures, generally referred as advanced oxidation processes (AOP), have been applied for their efficient removal from contaminated waters. The most applied bioassays to monitor the organophosphate toxicity, i.e., the detoxification degree during AOP are Vibrio fischeri and AChE bioassays. Vibrio fischeri toxicity test exploits bioluminescence as the measure of luciferase activity of this marine bacterium, whereas AChE bioassay is based on AChE activity inhibition. Both bioanalytical techniques are rapid (several minutes), simple, sensitive and reproducible. Vibrio fischeri test seems to be a versatile indicator of toxic compounds generated in AOP for organophosphorus insecticides degradation. However, detection of neurotoxic AChE inhibitors, which can be formed in AOP of some organophosphates, requires AChE bioassays. Therefore, AChE toxicity test is more appropriate for monitoring the degradation processes of thio organophosphates, because more toxic oxo organophosphates might be formed and overlooked by Vibrio fischeri bioluminescence inhibition. In addition, during organophosphates removal by AOP, compounds with strong genotoxic potential may be formed, which cannot be detected by standard toxicity tests. For this reason, determination of incidence of micronuclei and cell proliferation index in cultivated human lymphocytes and fibroblasts is suitable for evaluation of organophosphorus insecticides and their break down products inducing cytogenetic damage.
AB  - U ovoj studiji je dat pregled bioanalitičkih tehnika za procenu toksičnosti i detekciju organofosfatnih insekticida i proizvoda njihove degradacije koji nastaju tokom unapređenih procesa oksidacije za uklanjanje insekticida iz vode. Posebna pažnja je posvećena acetilholinesteraznim bioesejima, koji se zasnivaju na inhibiciji enzimske aktivnosti, za detekciju neurotoksičnih jedinjenja formiranih tokom degradacije organofosfata u oksidacionim procesima za prečišćavanje voda, kao i testiranju genotoksičnosti organofosfatnih insekticida i proizvoda njihove transformacije. Opisan je i mehanizam toksičnog delovanja organofosfatnih jedinjenja kao specifičnih inhibitora acetilholinesteraze, enzima koji katalizuje hidrolizu neurotransmitera acetilholina u holinergičkim sinapsama.
PB  - Association of Chemical Engineers of Serbia
T2  - Hemijska industrija
T1  - Organophosphorus insecticides: Toxic effects and bioanalytical tests for evaluating toxicity during degradation processes
T1  - Organofosfatni insekticidi - toksični efekti i bioanalitički testovi za evaluaciju toksičnosti tokom procesa degradacije
EP  - 230
IS  - 2
SP  - 217
VL  - 67
DO  - 10.2298/HEMIND120323060C
ER  - 
@article{
author = "Čolović, Mirjana B. and Krstić, Danijela Z. and Vasić, Vesna M. and Bondžić, Aleksandra M. and Ušćumlić, Gordana and Petrović, Slobodan",
year = "2013",
abstract = "Organophosphorus insecticides have been the most applied group of insectcides for the last two decades. Their main toxic effects are related to irreversible inactivation of acetylcholinesterase (AChE). Actually, they covalently bind to serine OH group in the enzyme active site forming phosphorylated enzyme that cannot hydrolyze acetylcholine. Organophosphorus insecticides in the environment undergo the natural degradation pathway including mainly homogeneous and heterogeneous hydrolysis (especially at high pH) generating non-inhibiting products. Additionally, thio organophosphates are easily oxidized by naturally present oxidants and UV light, forming more toxic and stable oxons. Thus, oxidative degradation procedures, generally referred as advanced oxidation processes (AOP), have been applied for their efficient removal from contaminated waters. The most applied bioassays to monitor the organophosphate toxicity, i.e., the detoxification degree during AOP are Vibrio fischeri and AChE bioassays. Vibrio fischeri toxicity test exploits bioluminescence as the measure of luciferase activity of this marine bacterium, whereas AChE bioassay is based on AChE activity inhibition. Both bioanalytical techniques are rapid (several minutes), simple, sensitive and reproducible. Vibrio fischeri test seems to be a versatile indicator of toxic compounds generated in AOP for organophosphorus insecticides degradation. However, detection of neurotoxic AChE inhibitors, which can be formed in AOP of some organophosphates, requires AChE bioassays. Therefore, AChE toxicity test is more appropriate for monitoring the degradation processes of thio organophosphates, because more toxic oxo organophosphates might be formed and overlooked by Vibrio fischeri bioluminescence inhibition. In addition, during organophosphates removal by AOP, compounds with strong genotoxic potential may be formed, which cannot be detected by standard toxicity tests. For this reason, determination of incidence of micronuclei and cell proliferation index in cultivated human lymphocytes and fibroblasts is suitable for evaluation of organophosphorus insecticides and their break down products inducing cytogenetic damage., U ovoj studiji je dat pregled bioanalitičkih tehnika za procenu toksičnosti i detekciju organofosfatnih insekticida i proizvoda njihove degradacije koji nastaju tokom unapređenih procesa oksidacije za uklanjanje insekticida iz vode. Posebna pažnja je posvećena acetilholinesteraznim bioesejima, koji se zasnivaju na inhibiciji enzimske aktivnosti, za detekciju neurotoksičnih jedinjenja formiranih tokom degradacije organofosfata u oksidacionim procesima za prečišćavanje voda, kao i testiranju genotoksičnosti organofosfatnih insekticida i proizvoda njihove transformacije. Opisan je i mehanizam toksičnog delovanja organofosfatnih jedinjenja kao specifičnih inhibitora acetilholinesteraze, enzima koji katalizuje hidrolizu neurotransmitera acetilholina u holinergičkim sinapsama.",
publisher = "Association of Chemical Engineers of Serbia",
journal = "Hemijska industrija",
title = "Organophosphorus insecticides: Toxic effects and bioanalytical tests for evaluating toxicity during degradation processes, Organofosfatni insekticidi - toksični efekti i bioanalitički testovi za evaluaciju toksičnosti tokom procesa degradacije",
pages = "230-217",
number = "2",
volume = "67",
doi = "10.2298/HEMIND120323060C"
}
Čolović, M. B., Krstić, D. Z., Vasić, V. M., Bondžić, A. M., Ušćumlić, G.,& Petrović, S.. (2013). Organophosphorus insecticides: Toxic effects and bioanalytical tests for evaluating toxicity during degradation processes. in Hemijska industrija
Association of Chemical Engineers of Serbia., 67(2), 217-230.
https://doi.org/10.2298/HEMIND120323060C
Čolović MB, Krstić DZ, Vasić VM, Bondžić AM, Ušćumlić G, Petrović S. Organophosphorus insecticides: Toxic effects and bioanalytical tests for evaluating toxicity during degradation processes. in Hemijska industrija. 2013;67(2):217-230.
doi:10.2298/HEMIND120323060C .
Čolović, Mirjana B., Krstić, Danijela Z., Vasić, Vesna M., Bondžić, Aleksandra M., Ušćumlić, Gordana, Petrović, Slobodan, "Organophosphorus insecticides: Toxic effects and bioanalytical tests for evaluating toxicity during degradation processes" in Hemijska industrija, 67, no. 2 (2013):217-230,
https://doi.org/10.2298/HEMIND120323060C . .
6
3

Inhibition of myeloperoxidase and antioxidative activity of Gentiana lutea extracts

Nastasijević, Branislav J.; Lazarević-Pašti, Tamara; Dimitrijević-Branković, Suzana; Pašti, Igor A.; Vujačić, Ana V.; Joksić, Gordana; Vasić, Vesna M.

(Elsevier, Amsterdam, 2012)

TY  - JOUR
AU  - Nastasijević, Branislav J.
AU  - Lazarević-Pašti, Tamara
AU  - Dimitrijević-Branković, Suzana
AU  - Pašti, Igor A.
AU  - Vujačić, Ana V.
AU  - Joksić, Gordana
AU  - Vasić, Vesna M.
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2130
AB  - The aim of this study was to investigate the inhibitory activity of Gentiana lutea extracts on the enzyme myeloperoxidase (MPO), as well as the antioxidant activity of these extracts and their correlation with the total polyphenol content. Extracts were prepared using methanol (100%), water and ethanol aqueous solutions (96, 75, 50 and 25% v/v) as solvents for extraction. Also, isovitexin, amarogentin and gentiopicroside, pharmacologically active constituents of G. lutea were tested as potential inhibitors of MPO. Antioxidant activity of extracts was determined using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging test and also using cyclic voltammetry (CV). Among all extracts, the antioxidant capacity of 50% ethanol aqueous extract was the highest, both when measured using the DPPH test, with IC50 = 20.6 mu g/ml, and when using CV. Also, 50% ethanol extract, showed the best inhibition of MPO activity in comparison with other extracts. In the group of the selected G. lutea constituents, gentiopicroside has proved to be the strongest inhibitor of MPO, with IC50 = 0.8 mu g/ml. Also, the concentration of G. lutea constituents were determined in all extracts, using Ultra Performance Liquid Chromatography (UPLC).
PB  - Elsevier, Amsterdam
T2  - Journal of Pharmaceutical and Biomedical Analysis
T1  - Inhibition of myeloperoxidase and antioxidative activity of Gentiana lutea extracts
EP  - 196
SP  - 191
VL  - 66
DO  - 10.1016/j.jpba.2012.03.052
ER  - 
@article{
author = "Nastasijević, Branislav J. and Lazarević-Pašti, Tamara and Dimitrijević-Branković, Suzana and Pašti, Igor A. and Vujačić, Ana V. and Joksić, Gordana and Vasić, Vesna M.",
year = "2012",
abstract = "The aim of this study was to investigate the inhibitory activity of Gentiana lutea extracts on the enzyme myeloperoxidase (MPO), as well as the antioxidant activity of these extracts and their correlation with the total polyphenol content. Extracts were prepared using methanol (100%), water and ethanol aqueous solutions (96, 75, 50 and 25% v/v) as solvents for extraction. Also, isovitexin, amarogentin and gentiopicroside, pharmacologically active constituents of G. lutea were tested as potential inhibitors of MPO. Antioxidant activity of extracts was determined using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging test and also using cyclic voltammetry (CV). Among all extracts, the antioxidant capacity of 50% ethanol aqueous extract was the highest, both when measured using the DPPH test, with IC50 = 20.6 mu g/ml, and when using CV. Also, 50% ethanol extract, showed the best inhibition of MPO activity in comparison with other extracts. In the group of the selected G. lutea constituents, gentiopicroside has proved to be the strongest inhibitor of MPO, with IC50 = 0.8 mu g/ml. Also, the concentration of G. lutea constituents were determined in all extracts, using Ultra Performance Liquid Chromatography (UPLC).",
publisher = "Elsevier, Amsterdam",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
title = "Inhibition of myeloperoxidase and antioxidative activity of Gentiana lutea extracts",
pages = "196-191",
volume = "66",
doi = "10.1016/j.jpba.2012.03.052"
}
Nastasijević, B. J., Lazarević-Pašti, T., Dimitrijević-Branković, S., Pašti, I. A., Vujačić, A. V., Joksić, G.,& Vasić, V. M.. (2012). Inhibition of myeloperoxidase and antioxidative activity of Gentiana lutea extracts. in Journal of Pharmaceutical and Biomedical Analysis
Elsevier, Amsterdam., 66, 191-196.
https://doi.org/10.1016/j.jpba.2012.03.052
Nastasijević BJ, Lazarević-Pašti T, Dimitrijević-Branković S, Pašti IA, Vujačić AV, Joksić G, Vasić VM. Inhibition of myeloperoxidase and antioxidative activity of Gentiana lutea extracts. in Journal of Pharmaceutical and Biomedical Analysis. 2012;66:191-196.
doi:10.1016/j.jpba.2012.03.052 .
Nastasijević, Branislav J., Lazarević-Pašti, Tamara, Dimitrijević-Branković, Suzana, Pašti, Igor A., Vujačić, Ana V., Joksić, Gordana, Vasić, Vesna M., "Inhibition of myeloperoxidase and antioxidative activity of Gentiana lutea extracts" in Journal of Pharmaceutical and Biomedical Analysis, 66 (2012):191-196,
https://doi.org/10.1016/j.jpba.2012.03.052 . .
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