Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200168 (University of Belgrade, Faculty of Chemistry)

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Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200168 (University of Belgrade, Faculty of Chemistry) (en)
Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 451-03-68/2020-14/200168 (Univerzitet u Beogradu, Hemijski fakultet) (sr_RS)
Министарство просвете, науке и технолошког развоја Републике Србије, Уговор бр. 451-03-68/2020-14/200168 (Универзитет у Београду, Хемијски факултет) (sr)
Authors

Publications

CCDC 2110388: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"

Pevec, Andrej

(The Cambridge Crystallographic Data Centre (CCDC), 2022)

TY  - DATA
AU  - Pevec, Andrej
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4861
AB  - NAMYUZ : diazido-[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-zinc Space Group: P 21/c (14), Cell: a 13.0826(10)Å b 10.2506(7)Å c 13.1685(13)Å, α 90° β 111.237(10)° γ 90°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2110388: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
DO  - 10.5517/ccdc.csd.cc28v117
ER  - 
@misc{
author = "Pevec, Andrej",
year = "2022",
abstract = "NAMYUZ : diazido-[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-zinc Space Group: P 21/c (14), Cell: a 13.0826(10)Å b 10.2506(7)Å c 13.1685(13)Å, α 90° β 111.237(10)° γ 90°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2110388: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"",
doi = "10.5517/ccdc.csd.cc28v117"
}
Pevec, A.. (2022). CCDC 2110388: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc28v117
Pevec A. CCDC 2110388: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". 2022;.
doi:10.5517/ccdc.csd.cc28v117 .
Pevec, Andrej, "CCDC 2110388: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"" (2022),
https://doi.org/10.5517/ccdc.csd.cc28v117 . .

CCDC 2110387: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"

Pevec, Andrej

(The Cambridge Crystallographic Data Centre (CCDC), 2022)

TY  - DATA
AU  - Pevec, Andrej
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4860
AB  - NAMYOT : bis(μ-azido)-diazido-bis[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-di-manganese methanol solvate Space Group: P 1 (2), Cell: a 9.6427(5)Å b 10.8396(5)Å c 10.8617(8)Å, α 106.971(5)° β 103.497(5)° γ 112.469(5)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2110387: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
DO  - 10.5517/ccdc.csd.cc28v106
ER  - 
@misc{
author = "Pevec, Andrej",
year = "2022",
abstract = "NAMYOT : bis(μ-azido)-diazido-bis[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-di-manganese methanol solvate Space Group: P 1 (2), Cell: a 9.6427(5)Å b 10.8396(5)Å c 10.8617(8)Å, α 106.971(5)° β 103.497(5)° γ 112.469(5)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2110387: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"",
doi = "10.5517/ccdc.csd.cc28v106"
}
Pevec, A.. (2022). CCDC 2110387: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc28v106
Pevec A. CCDC 2110387: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". 2022;.
doi:10.5517/ccdc.csd.cc28v106 .
Pevec, Andrej, "CCDC 2110387: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"" (2022),
https://doi.org/10.5517/ccdc.csd.cc28v106 . .

CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"

Pevec, Andrej

(The Cambridge Crystallographic Data Centre (CCDC), 2022)

TY  - DATA
AU  - Pevec, Andrej
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4859
AB  - NAMYIN : azido-[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-(methanol)-copper tetrafluoroborate Space Group: P 21/n (14), Cell: a 7.0033(3)Å b 10.8941(3)Å c 25.6059(9)Å, α 90° β 97.242(4)° γ 90°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
DO  - 10.5517/ccdc.csd.cc28v0z4
ER  - 
@misc{
author = "Pevec, Andrej",
year = "2022",
abstract = "NAMYIN : azido-[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-(methanol)-copper tetrafluoroborate Space Group: P 21/n (14), Cell: a 7.0033(3)Å b 10.8941(3)Å c 25.6059(9)Å, α 90° β 97.242(4)° γ 90°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"",
doi = "10.5517/ccdc.csd.cc28v0z4"
}
Pevec, A.. (2022). CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc28v0z4
Pevec A. CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". 2022;.
doi:10.5517/ccdc.csd.cc28v0z4 .
Pevec, Andrej, "CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"" (2022),
https://doi.org/10.5517/ccdc.csd.cc28v0z4 . .

Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"

Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z.; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar

(Royal Society of Chemistry (RSC), 2022)

TY  - DATA
AU  - Stevanović, Nevena
AU  - Zlatar, Matija
AU  - Novaković, Irena
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Matić, Ivana Z.
AU  - Đorđić Crnogorac, Marija
AU  - Stanojković, Tatjana
AU  - Vujčić, Miroslava
AU  - Gruden, Maja
AU  - Sladić, Dušan
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4858
AB  - In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.
PB  - Royal Society of Chemistry (RSC)
T2  - Dalton Transactions
T1  - Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
ER  - 
@misc{
author = "Stevanović, Nevena and Zlatar, Matija and Novaković, Irena and Pevec, Andrej and Radanović, Dušanka and Matić, Ivana Z. and Đorđić Crnogorac, Marija and Stanojković, Tatjana and Vujčić, Miroslava and Gruden, Maja and Sladić, Dušan and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar",
year = "2022",
abstract = "In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "Dalton Transactions",
title = "Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity""
}
Stevanović, N., Zlatar, M., Novaković, I., Pevec, A., Radanović, D., Matić, I. Z., Đorđić Crnogorac, M., Stanojković, T., Vujčić, M., Gruden, M., Sladić, D., Anđelković, K., Turel, I.,& Čobeljić, B.. (2022). Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". in Dalton Transactions
Royal Society of Chemistry (RSC)..
Stevanović N, Zlatar M, Novaković I, Pevec A, Radanović D, Matić IZ, Đorđić Crnogorac M, Stanojković T, Vujčić M, Gruden M, Sladić D, Anđelković K, Turel I, Čobeljić B. Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". in Dalton Transactions. 2022;..
Stevanović, Nevena, Zlatar, Matija, Novaković, Irena, Pevec, Andrej, Radanović, Dušanka, Matić, Ivana Z., Đorđić Crnogorac, Marija, Stanojković, Tatjana, Vujčić, Miroslava, Gruden, Maja, Sladić, Dušan, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, "Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"" in Dalton Transactions (2022).

Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity

Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z.; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar

(Royal Society of Chemistry (RSC), 2022)

TY  - JOUR
AU  - Stevanović, Nevena
AU  - Zlatar, Matija
AU  - Novaković, Irena
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Matić, Ivana Z.
AU  - Đorđić Crnogorac, Marija
AU  - Stanojković, Tatjana
AU  - Vujčić, Miroslava
AU  - Gruden, Maja
AU  - Sladić, Dušan
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4857
AB  - In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.
PB  - Royal Society of Chemistry (RSC)
T2  - Dalton Transactions
T1  - Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity
VL  - 51
IS  - 1
SP  - 185
EP  - 196
DO  - 10.1039/D1DT03169D
ER  - 
@article{
author = "Stevanović, Nevena and Zlatar, Matija and Novaković, Irena and Pevec, Andrej and Radanović, Dušanka and Matić, Ivana Z. and Đorđić Crnogorac, Marija and Stanojković, Tatjana and Vujčić, Miroslava and Gruden, Maja and Sladić, Dušan and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar",
year = "2022",
abstract = "In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "Dalton Transactions",
title = "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity",
volume = "51",
number = "1",
pages = "185-196",
doi = "10.1039/D1DT03169D"
}
Stevanović, N., Zlatar, M., Novaković, I., Pevec, A., Radanović, D., Matić, I. Z., Đorđić Crnogorac, M., Stanojković, T., Vujčić, M., Gruden, M., Sladić, D., Anđelković, K., Turel, I.,& Čobeljić, B.. (2022). Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity. in Dalton Transactions
Royal Society of Chemistry (RSC)., 51(1), 185-196.
https://doi.org/10.1039/D1DT03169D
Stevanović N, Zlatar M, Novaković I, Pevec A, Radanović D, Matić IZ, Đorđić Crnogorac M, Stanojković T, Vujčić M, Gruden M, Sladić D, Anđelković K, Turel I, Čobeljić B. Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity. in Dalton Transactions. 2022;51(1):185-196.
doi:10.1039/D1DT03169D .
Stevanović, Nevena, Zlatar, Matija, Novaković, Irena, Pevec, Andrej, Radanović, Dušanka, Matić, Ivana Z., Đorđić Crnogorac, Marija, Stanojković, Tatjana, Vujčić, Miroslava, Gruden, Maja, Sladić, Dušan, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity" in Dalton Transactions, 51, no. 1 (2022):185-196,
https://doi.org/10.1039/D1DT03169D . .
4

Supplementary data for the article: Stevanović, J. Z.; Rakitin, A. R.; Kojić, I. D.; Vuković, N. S.; Stojanović, K. Significance of Infrared Spectroscopic Branching Factor for Investigation of Structural Characteristics of Alkanes, Geochemical Properties and Viscosity of Oils: Scientific Paper. Journal of the Serbian Chemical Society 2022, 87 (1), 41–55. https://doi.org/10.2298/JSC210830091S.

Stevanović, Jelena Z.; Rakitin, Anton R.; Kojić, Ivan D.; Vuković, Nikola S.; Stojanović, Ksenija A.

(Belgrade : Serbian Chemical Society, 2022)

TY  - DATA
AU  - Stevanović, Jelena Z.
AU  - Rakitin, Anton R.
AU  - Kojić, Ivan D.
AU  - Vuković, Nikola S.
AU  - Stojanović, Ksenija A.
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4855
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Supplementary data for the article: Stevanović, J. Z.; Rakitin, A. R.; Kojić, I. D.; Vuković, N. S.; Stojanović, K. Significance of Infrared Spectroscopic Branching Factor for Investigation of Structural Characteristics of Alkanes, Geochemical Properties and Viscosity of Oils: Scientific Paper. Journal of the Serbian Chemical Society 2022, 87 (1), 41–55. https://doi.org/10.2298/JSC210830091S.
ER  - 
@misc{
author = "Stevanović, Jelena Z. and Rakitin, Anton R. and Kojić, Ivan D. and Vuković, Nikola S. and Stojanović, Ksenija A.",
year = "2022",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Supplementary data for the article: Stevanović, J. Z.; Rakitin, A. R.; Kojić, I. D.; Vuković, N. S.; Stojanović, K. Significance of Infrared Spectroscopic Branching Factor for Investigation of Structural Characteristics of Alkanes, Geochemical Properties and Viscosity of Oils: Scientific Paper. Journal of the Serbian Chemical Society 2022, 87 (1), 41–55. https://doi.org/10.2298/JSC210830091S."
}
Stevanović, J. Z., Rakitin, A. R., Kojić, I. D., Vuković, N. S.,& Stojanović, K. A.. (2022). Supplementary data for the article: Stevanović, J. Z.; Rakitin, A. R.; Kojić, I. D.; Vuković, N. S.; Stojanović, K. Significance of Infrared Spectroscopic Branching Factor for Investigation of Structural Characteristics of Alkanes, Geochemical Properties and Viscosity of Oils: Scientific Paper. Journal of the Serbian Chemical Society 2022, 87 (1), 41–55. https://doi.org/10.2298/JSC210830091S.. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society..
Stevanović JZ, Rakitin AR, Kojić ID, Vuković NS, Stojanović KA. Supplementary data for the article: Stevanović, J. Z.; Rakitin, A. R.; Kojić, I. D.; Vuković, N. S.; Stojanović, K. Significance of Infrared Spectroscopic Branching Factor for Investigation of Structural Characteristics of Alkanes, Geochemical Properties and Viscosity of Oils: Scientific Paper. Journal of the Serbian Chemical Society 2022, 87 (1), 41–55. https://doi.org/10.2298/JSC210830091S.. in Journal of the Serbian Chemical Society. 2022;..
Stevanović, Jelena Z., Rakitin, Anton R., Kojić, Ivan D., Vuković, Nikola S., Stojanović, Ksenija A., "Supplementary data for the article: Stevanović, J. Z.; Rakitin, A. R.; Kojić, I. D.; Vuković, N. S.; Stojanović, K. Significance of Infrared Spectroscopic Branching Factor for Investigation of Structural Characteristics of Alkanes, Geochemical Properties and Viscosity of Oils: Scientific Paper. Journal of the Serbian Chemical Society 2022, 87 (1), 41–55. https://doi.org/10.2298/JSC210830091S." in Journal of the Serbian Chemical Society (2022).

Significance of infrared spectroscopic branching factor for investigation of structural characteristics of alkanes, geochemical properties and viscosity of oils: Scientific paper

Stevanović, Jelena Z.; Rakitin, Anton R.; Kojić, Ivan D.; Vuković, Nikola S.; Stojanović, Ksenija A.

(Belgrade : Serbian Chemical Society, 2022)

TY  - JOUR
AU  - Stevanović, Jelena Z.
AU  - Rakitin, Anton R.
AU  - Kojić, Ivan D.
AU  - Vuković, Nikola S.
AU  - Stojanović, Ksenija A.
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4854
AB  - A detailed investigation of significance of the infrared (IR) spectro­scopic branching factor (СН2/СН3; the ratio of methylene and methyl group peak heights at 2917–2921 and 2951–2954 cm-1, respectively in the IR spectra) for charac­te­ri­za­tion of alkane structure, geochemical properties and viscosity of 76 oil samples was performed. These oils, originating from 13 Serbian oil fields in SE Pannonian Basin, differ according to source and depositional envi­ronment of organic matter (OM), as well as by thermal maturity and biodeg­rad­ation stage. Methylene and methyl asymmetric stretching peak absorbances were used for the branching factor calculation. CH2 peak positions exhibited3–4 cm-1 red shift with increasing the CH2/CH3 ratio, due to a greater contri­bution of trans vs. gauche rotamers in ali­pha­tic chains. Comparing IR spectra of the oils and model n-alkanes, it was established that the average (CH2)n methylene chain length per СН3 group varied from n = 3.5 to 6.5. The CH2/CH3 ratio showed significant concordance with geochemical para­meters, enabling clear distinction of the oils according to source and deposi­ti­onal environment of OM. At the same time, dependence of the CH2/CH3 ratio on oil maturity in the range from immature to mature was not observed, allowing for an accurate determination of oil genetic types irrespective of maturity. The CH2/CH3 ratio showed good accordance with oil biodegradation scale and oil viscosity.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Significance of infrared spectroscopic branching factor for investigation of structural characteristics of alkanes, geochemical properties and viscosity of oils: Scientific paper
VL  - 87
IS  - 1
SP  - 41
EP  - 55
DO  - 10.2298/JSC210830091S
ER  - 
@article{
author = "Stevanović, Jelena Z. and Rakitin, Anton R. and Kojić, Ivan D. and Vuković, Nikola S. and Stojanović, Ksenija A.",
year = "2022",
abstract = "A detailed investigation of significance of the infrared (IR) spectro­scopic branching factor (СН2/СН3; the ratio of methylene and methyl group peak heights at 2917–2921 and 2951–2954 cm-1, respectively in the IR spectra) for charac­te­ri­za­tion of alkane structure, geochemical properties and viscosity of 76 oil samples was performed. These oils, originating from 13 Serbian oil fields in SE Pannonian Basin, differ according to source and depositional envi­ronment of organic matter (OM), as well as by thermal maturity and biodeg­rad­ation stage. Methylene and methyl asymmetric stretching peak absorbances were used for the branching factor calculation. CH2 peak positions exhibited3–4 cm-1 red shift with increasing the CH2/CH3 ratio, due to a greater contri­bution of trans vs. gauche rotamers in ali­pha­tic chains. Comparing IR spectra of the oils and model n-alkanes, it was established that the average (CH2)n methylene chain length per СН3 group varied from n = 3.5 to 6.5. The CH2/CH3 ratio showed significant concordance with geochemical para­meters, enabling clear distinction of the oils according to source and deposi­ti­onal environment of OM. At the same time, dependence of the CH2/CH3 ratio on oil maturity in the range from immature to mature was not observed, allowing for an accurate determination of oil genetic types irrespective of maturity. The CH2/CH3 ratio showed good accordance with oil biodegradation scale and oil viscosity.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Significance of infrared spectroscopic branching factor for investigation of structural characteristics of alkanes, geochemical properties and viscosity of oils: Scientific paper",
volume = "87",
number = "1",
pages = "41-55",
doi = "10.2298/JSC210830091S"
}
Stevanović, J. Z., Rakitin, A. R., Kojić, I. D., Vuković, N. S.,& Stojanović, K. A.. (2022). Significance of infrared spectroscopic branching factor for investigation of structural characteristics of alkanes, geochemical properties and viscosity of oils: Scientific paper. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 87(1), 41-55.
https://doi.org/10.2298/JSC210830091S
Stevanović JZ, Rakitin AR, Kojić ID, Vuković NS, Stojanović KA. Significance of infrared spectroscopic branching factor for investigation of structural characteristics of alkanes, geochemical properties and viscosity of oils: Scientific paper. in Journal of the Serbian Chemical Society. 2022;87(1):41-55.
doi:10.2298/JSC210830091S .
Stevanović, Jelena Z., Rakitin, Anton R., Kojić, Ivan D., Vuković, Nikola S., Stojanović, Ksenija A., "Significance of infrared spectroscopic branching factor for investigation of structural characteristics of alkanes, geochemical properties and viscosity of oils: Scientific paper" in Journal of the Serbian Chemical Society, 87, no. 1 (2022):41-55,
https://doi.org/10.2298/JSC210830091S . .

A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)

Gajica, Gordana; Šajnović, Aleksandra; Stojanović, Ksenija A.; Schwarzbauer, Jan; Kostić, Aleksandar; Jovančićević, Branimir

(Elsevier, 2022)

TY  - JOUR
AU  - Gajica, Gordana
AU  - Šajnović, Aleksandra
AU  - Stojanović, Ksenija A.
AU  - Schwarzbauer, Jan
AU  - Kostić, Aleksandar
AU  - Jovančićević, Branimir
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4846
AB  - The molecular and isotopic composition of biomarkers in initial bitumen isolated from immature (0.41% Rr) oil shale samples (Aleksinac deposit) and liquid products obtained by pyrolysis in open (OS) and closed (CS) systems are studied. The influence of pyrolysis type and variations of kerogen type on biomarkers composition and their isotopic signatures in liquid products is determined. The applicability of pyrolysis type, numerous biomarkers and carbon isotopic compositions (δ13C) of n-alkanes in liquid pyrolysates is established. Pyrolysis experiments were performed on two selected samples that showed high content of total organic carbon and hydrocarbon generation potential, but also certain variations in sources/depositional environment of organic matter (type I and mixed type I/II kerogen) within previous research of the oil shales sample set. The biomarker signatures were evaluated using gas chromatography-mass spectrometry (GC-MS) and δ13C of individual n-alkanes in bitumen and liquid pyrolysates. The molecular composition of liquid pyrolysates from the OS is very similar to those in initial bitumen, independently on kerogen type, confirming algal origin of organic matter (OM) deposited in lacustrine environment, even more apparently than results of initial bitumen. Therefore, OS can be useful for assessment of source and depositional environment of OM. Pyrolysis in the CS caused more intense thermal alterations, therefore the source fingerprints sometimes notably disappear. The liquid pyrolysates from the CS have the distributions of biomarkers similar to those in crude oils. The biomarker maturity parameters showed slightly higher values in the CS pyrolysate of mixed type I/II kerogen in relation to type I kerogen. δ13C of n-alkanes in liquid pyrolysates from the OS are isotopically lighter in comparison to bitumen, independently on kerogen type. Oppositely, in liquid pyrolysates from the CS, they become heavier than in bitumen, indicating the thermal influence on δ13C signatures, with more pronounced difference for type I kerogen.
PB  - Elsevier
T2  - Marine and Petroleum Geology
T1  - A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)
VL  - 136
SP  - 105383
DO  - 10.1016/j.marpetgeo.2021.105383
ER  - 
@article{
author = "Gajica, Gordana and Šajnović, Aleksandra and Stojanović, Ksenija A. and Schwarzbauer, Jan and Kostić, Aleksandar and Jovančićević, Branimir",
year = "2022",
abstract = "The molecular and isotopic composition of biomarkers in initial bitumen isolated from immature (0.41% Rr) oil shale samples (Aleksinac deposit) and liquid products obtained by pyrolysis in open (OS) and closed (CS) systems are studied. The influence of pyrolysis type and variations of kerogen type on biomarkers composition and their isotopic signatures in liquid products is determined. The applicability of pyrolysis type, numerous biomarkers and carbon isotopic compositions (δ13C) of n-alkanes in liquid pyrolysates is established. Pyrolysis experiments were performed on two selected samples that showed high content of total organic carbon and hydrocarbon generation potential, but also certain variations in sources/depositional environment of organic matter (type I and mixed type I/II kerogen) within previous research of the oil shales sample set. The biomarker signatures were evaluated using gas chromatography-mass spectrometry (GC-MS) and δ13C of individual n-alkanes in bitumen and liquid pyrolysates. The molecular composition of liquid pyrolysates from the OS is very similar to those in initial bitumen, independently on kerogen type, confirming algal origin of organic matter (OM) deposited in lacustrine environment, even more apparently than results of initial bitumen. Therefore, OS can be useful for assessment of source and depositional environment of OM. Pyrolysis in the CS caused more intense thermal alterations, therefore the source fingerprints sometimes notably disappear. The liquid pyrolysates from the CS have the distributions of biomarkers similar to those in crude oils. The biomarker maturity parameters showed slightly higher values in the CS pyrolysate of mixed type I/II kerogen in relation to type I kerogen. δ13C of n-alkanes in liquid pyrolysates from the OS are isotopically lighter in comparison to bitumen, independently on kerogen type. Oppositely, in liquid pyrolysates from the CS, they become heavier than in bitumen, indicating the thermal influence on δ13C signatures, with more pronounced difference for type I kerogen.",
publisher = "Elsevier",
journal = "Marine and Petroleum Geology",
title = "A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)",
volume = "136",
pages = "105383",
doi = "10.1016/j.marpetgeo.2021.105383"
}
Gajica, G., Šajnović, A., Stojanović, K. A., Schwarzbauer, J., Kostić, A.,& Jovančićević, B.. (2022). A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems). in Marine and Petroleum Geology
Elsevier., 136, 105383.
https://doi.org/10.1016/j.marpetgeo.2021.105383
Gajica G, Šajnović A, Stojanović KA, Schwarzbauer J, Kostić A, Jovančićević B. A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems). in Marine and Petroleum Geology. 2022;136:105383.
doi:10.1016/j.marpetgeo.2021.105383 .
Gajica, Gordana, Šajnović, Aleksandra, Stojanović, Ksenija A., Schwarzbauer, Jan, Kostić, Aleksandar, Jovančićević, Branimir, "A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)" in Marine and Petroleum Geology, 136 (2022):105383,
https://doi.org/10.1016/j.marpetgeo.2021.105383 . .

A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)

Gajica, Gordana; Šajnović, Aleksandra; Stojanović, Ksenija A.; Schwarzbauer, Jan; Kostić, Aleksandar; Jovančićević, Branimir

(Elsevier, 2022)

TY  - JOUR
AU  - Gajica, Gordana
AU  - Šajnović, Aleksandra
AU  - Stojanović, Ksenija A.
AU  - Schwarzbauer, Jan
AU  - Kostić, Aleksandar
AU  - Jovančićević, Branimir
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4846
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4847
AB  - The molecular and isotopic composition of biomarkers in initial bitumen isolated from immature (0.41% Rr) oil shale samples (Aleksinac deposit) and liquid products obtained by pyrolysis in open (OS) and closed (CS) systems are studied. The influence of pyrolysis type and variations of kerogen type on biomarkers composition and their isotopic signatures in liquid products is determined. The applicability of pyrolysis type, numerous biomarkers and carbon isotopic compositions (δ13C) of n-alkanes in liquid pyrolysates is established. Pyrolysis experiments were performed on two selected samples that showed high content of total organic carbon and hydrocarbon generation potential, but also certain variations in sources/depositional environment of organic matter (type I and mixed type I/II kerogen) within previous research of the oil shales sample set. The biomarker signatures were evaluated using gas chromatography-mass spectrometry (GC-MS) and δ13C of individual n-alkanes in bitumen and liquid pyrolysates. The molecular composition of liquid pyrolysates from the OS is very similar to those in initial bitumen, independently on kerogen type, confirming algal origin of organic matter (OM) deposited in lacustrine environment, even more apparently than results of initial bitumen. Therefore, OS can be useful for assessment of source and depositional environment of OM. Pyrolysis in the CS caused more intense thermal alterations, therefore the source fingerprints sometimes notably disappear. The liquid pyrolysates from the CS have the distributions of biomarkers similar to those in crude oils. The biomarker maturity parameters showed slightly higher values in the CS pyrolysate of mixed type I/II kerogen in relation to type I kerogen. δ13C of n-alkanes in liquid pyrolysates from the OS are isotopically lighter in comparison to bitumen, independently on kerogen type. Oppositely, in liquid pyrolysates from the CS, they become heavier than in bitumen, indicating the thermal influence on δ13C signatures, with more pronounced difference for type I kerogen.
PB  - Elsevier
T2  - Marine and Petroleum Geology
T1  - A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)
VL  - 136
SP  - 105383
DO  - 10.1016/j.marpetgeo.2021.105383
ER  - 
@article{
author = "Gajica, Gordana and Šajnović, Aleksandra and Stojanović, Ksenija A. and Schwarzbauer, Jan and Kostić, Aleksandar and Jovančićević, Branimir",
year = "2022",
abstract = "The molecular and isotopic composition of biomarkers in initial bitumen isolated from immature (0.41% Rr) oil shale samples (Aleksinac deposit) and liquid products obtained by pyrolysis in open (OS) and closed (CS) systems are studied. The influence of pyrolysis type and variations of kerogen type on biomarkers composition and their isotopic signatures in liquid products is determined. The applicability of pyrolysis type, numerous biomarkers and carbon isotopic compositions (δ13C) of n-alkanes in liquid pyrolysates is established. Pyrolysis experiments were performed on two selected samples that showed high content of total organic carbon and hydrocarbon generation potential, but also certain variations in sources/depositional environment of organic matter (type I and mixed type I/II kerogen) within previous research of the oil shales sample set. The biomarker signatures were evaluated using gas chromatography-mass spectrometry (GC-MS) and δ13C of individual n-alkanes in bitumen and liquid pyrolysates. The molecular composition of liquid pyrolysates from the OS is very similar to those in initial bitumen, independently on kerogen type, confirming algal origin of organic matter (OM) deposited in lacustrine environment, even more apparently than results of initial bitumen. Therefore, OS can be useful for assessment of source and depositional environment of OM. Pyrolysis in the CS caused more intense thermal alterations, therefore the source fingerprints sometimes notably disappear. The liquid pyrolysates from the CS have the distributions of biomarkers similar to those in crude oils. The biomarker maturity parameters showed slightly higher values in the CS pyrolysate of mixed type I/II kerogen in relation to type I kerogen. δ13C of n-alkanes in liquid pyrolysates from the OS are isotopically lighter in comparison to bitumen, independently on kerogen type. Oppositely, in liquid pyrolysates from the CS, they become heavier than in bitumen, indicating the thermal influence on δ13C signatures, with more pronounced difference for type I kerogen.",
publisher = "Elsevier",
journal = "Marine and Petroleum Geology",
title = "A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)",
volume = "136",
pages = "105383",
doi = "10.1016/j.marpetgeo.2021.105383"
}
Gajica, G., Šajnović, A., Stojanović, K. A., Schwarzbauer, J., Kostić, A.,& Jovančićević, B.. (2022). A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems). in Marine and Petroleum Geology
Elsevier., 136, 105383.
https://doi.org/10.1016/j.marpetgeo.2021.105383
Gajica G, Šajnović A, Stojanović KA, Schwarzbauer J, Kostić A, Jovančićević B. A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems). in Marine and Petroleum Geology. 2022;136:105383.
doi:10.1016/j.marpetgeo.2021.105383 .
Gajica, Gordana, Šajnović, Aleksandra, Stojanović, Ksenija A., Schwarzbauer, Jan, Kostić, Aleksandar, Jovančićević, Branimir, "A comparative study of the molecular and isotopic composition of biomarkers in immature oil shale (Aleksinac deposit, Serbia) and its liquid pyrolysis products (open and closed systems)" in Marine and Petroleum Geology, 136 (2022):105383,
https://doi.org/10.1016/j.marpetgeo.2021.105383 . .

Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines

Vujatović, Tamara B.; Vitorović-Todorović, Maja D.; Cvijetić, Ilija; Vasović, Tamara; Nikolić, Milan; Novaković, Irena T.; Bjelogrlić, Snežana K.

(Elsevier, 2022)

TY  - JOUR
AU  - Vujatović, Tamara B.
AU  - Vitorović-Todorović, Maja D.
AU  - Cvijetić, Ilija
AU  - Vasović, Tamara
AU  - Nikolić, Milan
AU  - Novaković, Irena T.
AU  - Bjelogrlić, Snežana K.
PY  - 2022
UR  - https://www.sciencedirect.com/science/article/pii/S0022286021018287
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4761
AB  - In the present work, the α,β-double bond of the aroylacrylic acid phenylamides was suitably modified to optimize the toxicity–antiproliferative activity ratio of the resulting compounds 1–5. The phenylamides were modified by Michael's addition of suitably chosen piperidine-containing fragments: 1-amino-N-benzylpiperidine (a1), 4-benzylpiperidine (a2), and N,N-dimethyl-N-[2-(1-piperazinyl)-ethyl]amine (a3). The compounds exerted micromolar activity toward three cancer cell lines, A549, LoVo, and Skov-3, causing apoptotic cell death. It was shown that the nature of the cyclic amine moiety at position C2 of the compounds is probably the primary determinant of anticancer activity toward tested cell lines and the acute toxicity toward brine shrimp (Artemia salina). The majority of compounds revealed the ability to vigorously induce mitochondrial superoxide anion generation in all treated cell lines, which together with cell cycle arrest at the S phase and activation of intrinsic caspase cascade, indicates the possibility that apoptosis was triggered due to irreparable chromosomal damage by acute oxidative stress. Two derivatives also exerted significant antibacterial activity with one order of magnitude higher potency than chloramphenicol in most of the investigated bacterial strains. Also, the drug-like properties for all compounds were estimated by available software tools.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines
VL  - 1250
SP  - 131702
DO  - 10.1016/j.molstruc.2021.131702
ER  - 
@article{
author = "Vujatović, Tamara B. and Vitorović-Todorović, Maja D. and Cvijetić, Ilija and Vasović, Tamara and Nikolić, Milan and Novaković, Irena T. and Bjelogrlić, Snežana K.",
year = "2022",
abstract = "In the present work, the α,β-double bond of the aroylacrylic acid phenylamides was suitably modified to optimize the toxicity–antiproliferative activity ratio of the resulting compounds 1–5. The phenylamides were modified by Michael's addition of suitably chosen piperidine-containing fragments: 1-amino-N-benzylpiperidine (a1), 4-benzylpiperidine (a2), and N,N-dimethyl-N-[2-(1-piperazinyl)-ethyl]amine (a3). The compounds exerted micromolar activity toward three cancer cell lines, A549, LoVo, and Skov-3, causing apoptotic cell death. It was shown that the nature of the cyclic amine moiety at position C2 of the compounds is probably the primary determinant of anticancer activity toward tested cell lines and the acute toxicity toward brine shrimp (Artemia salina). The majority of compounds revealed the ability to vigorously induce mitochondrial superoxide anion generation in all treated cell lines, which together with cell cycle arrest at the S phase and activation of intrinsic caspase cascade, indicates the possibility that apoptosis was triggered due to irreparable chromosomal damage by acute oxidative stress. Two derivatives also exerted significant antibacterial activity with one order of magnitude higher potency than chloramphenicol in most of the investigated bacterial strains. Also, the drug-like properties for all compounds were estimated by available software tools.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines",
volume = "1250",
pages = "131702",
doi = "10.1016/j.molstruc.2021.131702"
}
Vujatović, T. B., Vitorović-Todorović, M. D., Cvijetić, I., Vasović, T., Nikolić, M., Novaković, I. T.,& Bjelogrlić, S. K.. (2022). Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines. in Journal of Molecular Structure
Elsevier., 1250, 131702.
https://doi.org/10.1016/j.molstruc.2021.131702
Vujatović TB, Vitorović-Todorović MD, Cvijetić I, Vasović T, Nikolić M, Novaković IT, Bjelogrlić SK. Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines. in Journal of Molecular Structure. 2022;1250:131702.
doi:10.1016/j.molstruc.2021.131702 .
Vujatović, Tamara B., Vitorović-Todorović, Maja D., Cvijetić, Ilija, Vasović, Tamara, Nikolić, Milan, Novaković, Irena T., Bjelogrlić, Snežana K., "Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines" in Journal of Molecular Structure, 1250 (2022):131702,
https://doi.org/10.1016/j.molstruc.2021.131702 . .

Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea

Milićević, Tijana; Herceg Romanić, Snježana; Popović, Aleksandar R.; Mustać, Bosiljka; Đinović-Stojanović, Jasna; Jovanović, Gordana; Relić, Dubravka

(Elsevier, 2022)

TY  - JOUR
AU  - Milićević, Tijana
AU  - Herceg Romanić, Snježana
AU  - Popović, Aleksandar R.
AU  - Mustać, Bosiljka
AU  - Đinović-Stojanović, Jasna
AU  - Jovanović, Gordana
AU  - Relić, Dubravka
PY  - 2022
UR  - https://www.sciencedirect.com/science/article/pii/S0045653521025406
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4664
AB  - Benefits and risks of the fish consumption should be assessed to balance the ingestion of healthy omega-3 fatty acids and adverse chemicals. Persistent organic pollutants-POPs (organochlorine pesticides-OCPs and polychlorinated biphenyls-PCB), macro- and micro-elements and fatty acid contents were determined in six fish species from the Adriatic Sea to assess health risks for consumers (worst-case scenario, diseases development risks and benefit-risk). 16 element, 24 POPs and 14 fatty acid contents were determined in six pelagic species which can be used in human diet. Element concentrations were determined by inductively coupled plasma mass spectrometry (ICP-MS), POPs by high-resolution gas chromatography and fatty acid content by gas–liquid chromatography. Diet based on chub mackerel and round sardinella showed lower daily intake (DI) of POPs and highest DI of essential omega-3 fatty acids than other investigated species. Lower ingestion of toxic elements can be observed by consuming anchovy and round sardinella. Based on POP concentrations, there was not observed non-carcinogenic (HI) nor carcinogenic (CR) risks for consumers. Based on element concentrations, there was low HI (0.1 ≥ HI ≥ 1), while the maximum HIs and outlier values (horse mackerel and anchovy samples) implied the presence of HI (HI > 1). The most significant contributor to total non-carcinogenic and carcinogenic risks was inorganic arsenic (inorganic As). Acceptable CR for consumers was assessed, but maximum CR for consumers of horse mackerel and anchovy (CR ≥ 1 × 10–6) showed adverse effects on human health. There were low HIs for developing cardiovascular, nervous, and reproductive diseases, and maximum HIs were higher than 1. Acceptable (1 × 10−4≥CR ≥ 1 × 10−6) risks were observed for developing cancer of nervous system and reproductive organs. Among investigated fish samples, those with higher ƩBR (benefit-risks) and BR for arsenic (As) than median value have a higher risk than benefits in the human diet.
PB  - Elsevier
T2  - Chemosphere
T1  - Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea
VL  - 287
SP  - 132068
DO  - 10.1016/j.chemosphere.2021.132068
ER  - 
@article{
author = "Milićević, Tijana and Herceg Romanić, Snježana and Popović, Aleksandar R. and Mustać, Bosiljka and Đinović-Stojanović, Jasna and Jovanović, Gordana and Relić, Dubravka",
year = "2022",
abstract = "Benefits and risks of the fish consumption should be assessed to balance the ingestion of healthy omega-3 fatty acids and adverse chemicals. Persistent organic pollutants-POPs (organochlorine pesticides-OCPs and polychlorinated biphenyls-PCB), macro- and micro-elements and fatty acid contents were determined in six fish species from the Adriatic Sea to assess health risks for consumers (worst-case scenario, diseases development risks and benefit-risk). 16 element, 24 POPs and 14 fatty acid contents were determined in six pelagic species which can be used in human diet. Element concentrations were determined by inductively coupled plasma mass spectrometry (ICP-MS), POPs by high-resolution gas chromatography and fatty acid content by gas–liquid chromatography. Diet based on chub mackerel and round sardinella showed lower daily intake (DI) of POPs and highest DI of essential omega-3 fatty acids than other investigated species. Lower ingestion of toxic elements can be observed by consuming anchovy and round sardinella. Based on POP concentrations, there was not observed non-carcinogenic (HI) nor carcinogenic (CR) risks for consumers. Based on element concentrations, there was low HI (0.1 ≥ HI ≥ 1), while the maximum HIs and outlier values (horse mackerel and anchovy samples) implied the presence of HI (HI > 1). The most significant contributor to total non-carcinogenic and carcinogenic risks was inorganic arsenic (inorganic As). Acceptable CR for consumers was assessed, but maximum CR for consumers of horse mackerel and anchovy (CR ≥ 1 × 10–6) showed adverse effects on human health. There were low HIs for developing cardiovascular, nervous, and reproductive diseases, and maximum HIs were higher than 1. Acceptable (1 × 10−4≥CR ≥ 1 × 10−6) risks were observed for developing cancer of nervous system and reproductive organs. Among investigated fish samples, those with higher ƩBR (benefit-risks) and BR for arsenic (As) than median value have a higher risk than benefits in the human diet.",
publisher = "Elsevier",
journal = "Chemosphere",
title = "Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea",
volume = "287",
pages = "132068",
doi = "10.1016/j.chemosphere.2021.132068"
}
Milićević, T., Herceg Romanić, S., Popović, A. R., Mustać, B., Đinović-Stojanović, J., Jovanović, G.,& Relić, D.. (2022). Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea. in Chemosphere
Elsevier., 287, 132068.
https://doi.org/10.1016/j.chemosphere.2021.132068
Milićević T, Herceg Romanić S, Popović AR, Mustać B, Đinović-Stojanović J, Jovanović G, Relić D. Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea. in Chemosphere. 2022;287:132068.
doi:10.1016/j.chemosphere.2021.132068 .
Milićević, Tijana, Herceg Romanić, Snježana, Popović, Aleksandar R., Mustać, Bosiljka, Đinović-Stojanović, Jasna, Jovanović, Gordana, Relić, Dubravka, "Human health risks and benefits assessment based on OCPs, PCBs, toxic elements and fatty acids in the pelagic fish species from the Adriatic Sea" in Chemosphere, 287 (2022):132068,
https://doi.org/10.1016/j.chemosphere.2021.132068 . .
1
1
1

Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.

Milićević, Tijana; Herceg Romanić, Snježana; Popović, Aleksandar R.; Mustać, Bosiljka; Đinović-Stojanović, Jasna; Jovanović, Gordana; Relić, Dubravka

(Elsevier, 2022)

TY  - DATA
AU  - Milićević, Tijana
AU  - Herceg Romanić, Snježana
AU  - Popović, Aleksandar R.
AU  - Mustać, Bosiljka
AU  - Đinović-Stojanović, Jasna
AU  - Jovanović, Gordana
AU  - Relić, Dubravka
PY  - 2022
UR  - https://www.sciencedirect.com/science/article/pii/S0045653521025406
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4665
PB  - Elsevier
T2  - Chemosphere
T1  - Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4665
ER  - 
@misc{
author = "Milićević, Tijana and Herceg Romanić, Snježana and Popović, Aleksandar R. and Mustać, Bosiljka and Đinović-Stojanović, Jasna and Jovanović, Gordana and Relić, Dubravka",
year = "2022",
publisher = "Elsevier",
journal = "Chemosphere",
title = "Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4665"
}
Milićević, T., Herceg Romanić, S., Popović, A. R., Mustać, B., Đinović-Stojanović, J., Jovanović, G.,& Relić, D.. (2022). Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.. in Chemosphere
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4665
Milićević T, Herceg Romanić S, Popović AR, Mustać B, Đinović-Stojanović J, Jovanović G, Relić D. Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068.. in Chemosphere. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_4665 .
Milićević, Tijana, Herceg Romanić, Snježana, Popović, Aleksandar R., Mustać, Bosiljka, Đinović-Stojanović, Jasna, Jovanović, Gordana, Relić, Dubravka, "Supplementary data for the article: Milićević, T.; Romanić, S. H.; Popović, A.; Mustać, B.; Đinović-Stojanović, J.; Jovanović, G.; Relić, D. Human Health Risks and Benefits Assessment Based on OCPs, PCBs, Toxic Elements and Fatty Acids in the Pelagic Fish Species from the Adriatic Sea. Chemosphere 2022, 287, 132068. https://doi.org/10.1016/j.chemosphere.2021.132068." in Chemosphere (2022),
https://hdl.handle.net/21.15107/rcub_cherry_4665 .

Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2

Stevanović, Nikola R.; Apostolović, Danijela; Milčić, Miloš K.; Lolić, Aleksandar; Hage, Marianne van; Ćirković-Veličković, Tanja; Baošić, Rada

(2021)

TY  - JOUR
AU  - Stevanović, Nikola R.
AU  - Apostolović, Danijela
AU  - Milčić, Miloš K.
AU  - Lolić, Aleksandar
AU  - Hage, Marianne van
AU  - Ćirković-Veličković, Tanja
AU  - Baošić, Rada
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4856
AB  - Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.
T2  - New Journal of Chemistry
T1  - Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2
VL  - 45
IS  - 14
SP  - 6231
EP  - 6237
DO  - 10.1039/D1NJ00040C
ER  - 
@article{
author = "Stevanović, Nikola R. and Apostolović, Danijela and Milčić, Miloš K. and Lolić, Aleksandar and Hage, Marianne van and Ćirković-Veličković, Tanja and Baošić, Rada",
year = "2021",
abstract = "Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.",
journal = "New Journal of Chemistry",
title = "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2",
volume = "45",
number = "14",
pages = "6231-6237",
doi = "10.1039/D1NJ00040C"
}
Stevanović, N. R., Apostolović, D., Milčić, M. K., Lolić, A., Hage, M. v., Ćirković-Veličković, T.,& Baošić, R.. (2021). Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry, 45(14), 6231-6237.
https://doi.org/10.1039/D1NJ00040C
Stevanović NR, Apostolović D, Milčić MK, Lolić A, Hage MV, Ćirković-Veličković T, Baošić R. Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry. 2021;45(14):6231-6237.
doi:10.1039/D1NJ00040C .
Stevanović, Nikola R., Apostolović, Danijela, Milčić, Miloš K., Lolić, Aleksandar, Hage, Marianne van, Ćirković-Veličković, Tanja, Baošić, Rada, "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2" in New Journal of Chemistry, 45, no. 14 (2021):6231-6237,
https://doi.org/10.1039/D1NJ00040C . .

Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)

Stevanović, Jelena; Rakitin, A. R.; Stojanović, Ksenija A.

(Springer, 2021)

TY  - JOUR
AU  - Stevanović, Jelena
AU  - Rakitin, A. R.
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4853
AB  - The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM.
AB  - Целью работы являлось изучение структурно-геохимических характеристик генетически сходных нефтей месторождения Турия-север, расположенного в юго-восточной части Паннонского бассейна на территории Сербии. Методами инфракрасной спектроскопии (ИК) и газожидкостной хроматографии (ГЖХ) были исследованы образцы из 56 скважин. Моделированием области ИК-спектра 2800-3000 см-1 суммой функций Лоренца были выделены вклады валентных колебаний алифатических групп, на основании которых рассчитывалась степень разветвления алканов. Положение пиков поглощения групп CH2 зависит от разветвленности алифатических цепей, смещаясь на 3-4 см-1 в сторону высоких частот при переходе от минимальной к максимальной степени разветвления для рассматриваемой коллекции нефтей, что связано с сопутствующим увеличением доли гош-конформаций в полиметиленовых фрагментах. Согласно данным ГЖХ, нефти месторождения Турия-север близки по степени термической преобразованности, которая соответствует ранней стадии генерирования жидких углеводородов и характеризуются смешанным аквагенно-терригенным происхождением исходного органического вещества (ОВ), сформировавшегося в переходной восстановительно-слабоокислительной обстановке осадконакопления. Степень разветвления алканов показала значимую корреляцию с геохимическими параметрами, позволяя разделить образцы на две группы: нефти группы I с повышенным вкладом водорослей в исходном ОВ и сформировавшиеся в более восстановительных условиях по сравнению с группой II. Полученные результаты на практике демонстрируют преимущество сочетания методов ГЖХ и ИК-спектроскопии для выяснения структуры и геохимических особенностей осадочного ОВ.
PB  - Springer
T2  - Petroleum Chemistry
T1  - Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)
VL  - 61
IS  - 9
SP  - 1002
EP  - 1010
DO  - 10.1134/S0965544121090024
ER  - 
@article{
author = "Stevanović, Jelena and Rakitin, A. R. and Stojanović, Ksenija A.",
year = "2021",
abstract = "The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM., Целью работы являлось изучение структурно-геохимических характеристик генетически сходных нефтей месторождения Турия-север, расположенного в юго-восточной части Паннонского бассейна на территории Сербии. Методами инфракрасной спектроскопии (ИК) и газожидкостной хроматографии (ГЖХ) были исследованы образцы из 56 скважин. Моделированием области ИК-спектра 2800-3000 см-1 суммой функций Лоренца были выделены вклады валентных колебаний алифатических групп, на основании которых рассчитывалась степень разветвления алканов. Положение пиков поглощения групп CH2 зависит от разветвленности алифатических цепей, смещаясь на 3-4 см-1 в сторону высоких частот при переходе от минимальной к максимальной степени разветвления для рассматриваемой коллекции нефтей, что связано с сопутствующим увеличением доли гош-конформаций в полиметиленовых фрагментах. Согласно данным ГЖХ, нефти месторождения Турия-север близки по степени термической преобразованности, которая соответствует ранней стадии генерирования жидких углеводородов и характеризуются смешанным аквагенно-терригенным происхождением исходного органического вещества (ОВ), сформировавшегося в переходной восстановительно-слабоокислительной обстановке осадконакопления. Степень разветвления алканов показала значимую корреляцию с геохимическими параметрами, позволяя разделить образцы на две группы: нефти группы I с повышенным вкладом водорослей в исходном ОВ и сформировавшиеся в более восстановительных условиях по сравнению с группой II. Полученные результаты на практике демонстрируют преимущество сочетания методов ГЖХ и ИК-спектроскопии для выяснения структуры и геохимических особенностей осадочного ОВ.",
publisher = "Springer",
journal = "Petroleum Chemistry",
title = "Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)",
volume = "61",
number = "9",
pages = "1002-1010",
doi = "10.1134/S0965544121090024"
}
Stevanović, J., Rakitin, A. R.,& Stojanović, K. A.. (2021). Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия). in Petroleum Chemistry
Springer., 61(9), 1002-1010.
https://doi.org/10.1134/S0965544121090024
Stevanović J, Rakitin AR, Stojanović KA. Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия). in Petroleum Chemistry. 2021;61(9):1002-1010.
doi:10.1134/S0965544121090024 .
Stevanović, Jelena, Rakitin, A. R., Stojanović, Ksenija A., "Связь валентных колебаний алифатических групп со структурно-геохимическими характеристиками нефтей единого генетического типа на примере месторождения турия-север (Паннонский бассейн, Сербия)" in Petroleum Chemistry, 61, no. 9 (2021):1002-1010,
https://doi.org/10.1134/S0965544121090024 . .

Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.

Stevanović, Nikola R.; Apostolović, Danijela; Milčić, Miloš K.; Lolić, Aleksandar; Hage, Marianne van; Ćirković-Veličković, Tanja; Baošić, Rada

(2021)

TY  - DATA
AU  - Stevanović, Nikola R.
AU  - Apostolović, Danijela
AU  - Milčić, Miloš K.
AU  - Lolić, Aleksandar
AU  - Hage, Marianne van
AU  - Ćirković-Veličković, Tanja
AU  - Baošić, Rada
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4400
T2  - New Journal of Chemistry
T1  - Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4400
ER  - 
@misc{
author = "Stevanović, Nikola R. and Apostolović, Danijela and Milčić, Miloš K. and Lolić, Aleksandar and Hage, Marianne van and Ćirković-Veličković, Tanja and Baošić, Rada",
year = "2021",
journal = "New Journal of Chemistry",
title = "Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4400"
}
Stevanović, N. R., Apostolović, D., Milčić, M. K., Lolić, A., Hage, M. v., Ćirković-Veličković, T.,& Baošić, R.. (2021). Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.. in New Journal of Chemistry.
https://hdl.handle.net/21.15107/rcub_cherry_4400
Stevanović NR, Apostolović D, Milčić MK, Lolić A, Hage MV, Ćirković-Veličković T, Baošić R. Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.. in New Journal of Chemistry. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4400 .
Stevanović, Nikola R., Apostolović, Danijela, Milčić, Miloš K., Lolić, Aleksandar, Hage, Marianne van, Ćirković-Veličković, Tanja, Baošić, Rada, "Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C." in New Journal of Chemistry (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4400 .

Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2

Stevanović, Nikola R.; Apostolović, Danijela; Milčić, Miloš K.; Lolić, Aleksandar; Hage, Marianne van; Ćirković-Veličković, Tanja; Baošić, Rada

(2021)

TY  - JOUR
AU  - Stevanović, Nikola R.
AU  - Apostolović, Danijela
AU  - Milčić, Miloš K.
AU  - Lolić, Aleksandar
AU  - Hage, Marianne van
AU  - Ćirković-Veličković, Tanja
AU  - Baošić, Rada
PY  - 2021
UR  - https://pubs.rsc.org/en/content/articlelanding/2021/nj/d1nj00040c
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4399
AB  - Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.
T2  - New Journal of Chemistry
T1  - Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2
VL  - 45
IS  - 14
SP  - 6231
EP  - 6237
DO  - 10.1039/D1NJ00040C
ER  - 
@article{
author = "Stevanović, Nikola R. and Apostolović, Danijela and Milčić, Miloš K. and Lolić, Aleksandar and Hage, Marianne van and Ćirković-Veličković, Tanja and Baošić, Rada",
year = "2021",
abstract = "Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.",
journal = "New Journal of Chemistry",
title = "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2",
volume = "45",
number = "14",
pages = "6231-6237",
doi = "10.1039/D1NJ00040C"
}
Stevanović, N. R., Apostolović, D., Milčić, M. K., Lolić, A., Hage, M. v., Ćirković-Veličković, T.,& Baošić, R.. (2021). Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry, 45(14), 6231-6237.
https://doi.org/10.1039/D1NJ00040C
Stevanović NR, Apostolović D, Milčić MK, Lolić A, Hage MV, Ćirković-Veličković T, Baošić R. Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry. 2021;45(14):6231-6237.
doi:10.1039/D1NJ00040C .
Stevanović, Nikola R., Apostolović, Danijela, Milčić, Miloš K., Lolić, Aleksandar, Hage, Marianne van, Ćirković-Veličković, Tanja, Baošić, Rada, "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2" in New Journal of Chemistry, 45, no. 14 (2021):6231-6237,
https://doi.org/10.1039/D1NJ00040C . .

Study of the synergetic effect of co-pyrolysis of lignite and high-density polyethylene aiming to improve utilization of low-rank coal

Kojić, Ivan; Bechtel, Achim; Aleksić, Nikoleta; Životić, Dragana; Trifunović, Snežana S.; Gajica, Gordana; Stojanović, Ksenija A.

(MDPI, 2021)

TY  - JOUR
AU  - Kojić, Ivan
AU  - Bechtel, Achim
AU  - Aleksić, Nikoleta
AU  - Životić, Dragana
AU  - Trifunović, Snežana S.
AU  - Gajica, Gordana
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - https://www.mdpi.com/2073-4360/13/5/759
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4397
AB  - The mutual impact of low-quality lignite and high-density polyethylene (HDPE) during open system pyrolysis was investigated, aiming to improve utilization of lignite with simultaneous treatment of HDPE waste. Pyrolysis of lignite, HDPE, and their mixture (mass ratio, 1:1) was performed at temperatures 400, 450, 500, 550, and 600 °C. Initial substrates and pyrolysis products were characterized by thermogravimetric analysis (TGA), gas chromatography–mass spectrometry (GC–MS), specific carbon isotope analysis of individual hydrocarbons (δ13C), Rock-Eval pyrolysis, and elemental analysis. The positive synergetic effect during co-pyrolysis of lignite/HDPE mixture was observed at temperatures ≥450 °C, with the greatest being at 500 °C. The highest yield of liquid co-pyrolysis products with a similar composition to that of crude oils is also noticed at 500 °C. The yields of liquid and gaseous products and quality of pyrolytic products obtained by co-pyrolysis of lignite/HDPE mixture are notably improved compared with pyrolysis of lignite alone. On the other hand, data obtained from pyrolysis of HDPE alone indicate that it cannot be concurrent to well-developed catalytic thermal processes for polymer recycling. However, concerning the huge amount of produced HDPE, at least part of this plastic material can be reused for advanced thermal treatment of lignite, particularly in countries where this low-rank coal represents the main source of energy.
PB  - MDPI
T2  - Polymers
T1  - Study of the synergetic effect of co-pyrolysis of lignite and high-density polyethylene aiming to improve utilization of low-rank coal
VL  - 13
IS  - 5
SP  - 759
DO  - 10.3390/polym13050759
ER  - 
@article{
author = "Kojić, Ivan and Bechtel, Achim and Aleksić, Nikoleta and Životić, Dragana and Trifunović, Snežana S. and Gajica, Gordana and Stojanović, Ksenija A.",
year = "2021",
abstract = "The mutual impact of low-quality lignite and high-density polyethylene (HDPE) during open system pyrolysis was investigated, aiming to improve utilization of lignite with simultaneous treatment of HDPE waste. Pyrolysis of lignite, HDPE, and their mixture (mass ratio, 1:1) was performed at temperatures 400, 450, 500, 550, and 600 °C. Initial substrates and pyrolysis products were characterized by thermogravimetric analysis (TGA), gas chromatography–mass spectrometry (GC–MS), specific carbon isotope analysis of individual hydrocarbons (δ13C), Rock-Eval pyrolysis, and elemental analysis. The positive synergetic effect during co-pyrolysis of lignite/HDPE mixture was observed at temperatures ≥450 °C, with the greatest being at 500 °C. The highest yield of liquid co-pyrolysis products with a similar composition to that of crude oils is also noticed at 500 °C. The yields of liquid and gaseous products and quality of pyrolytic products obtained by co-pyrolysis of lignite/HDPE mixture are notably improved compared with pyrolysis of lignite alone. On the other hand, data obtained from pyrolysis of HDPE alone indicate that it cannot be concurrent to well-developed catalytic thermal processes for polymer recycling. However, concerning the huge amount of produced HDPE, at least part of this plastic material can be reused for advanced thermal treatment of lignite, particularly in countries where this low-rank coal represents the main source of energy.",
publisher = "MDPI",
journal = "Polymers",
title = "Study of the synergetic effect of co-pyrolysis of lignite and high-density polyethylene aiming to improve utilization of low-rank coal",
volume = "13",
number = "5",
pages = "759",
doi = "10.3390/polym13050759"
}
Kojić, I., Bechtel, A., Aleksić, N., Životić, D., Trifunović, S. S., Gajica, G.,& Stojanović, K. A.. (2021). Study of the synergetic effect of co-pyrolysis of lignite and high-density polyethylene aiming to improve utilization of low-rank coal. in Polymers
MDPI., 13(5), 759.
https://doi.org/10.3390/polym13050759
Kojić I, Bechtel A, Aleksić N, Životić D, Trifunović SS, Gajica G, Stojanović KA. Study of the synergetic effect of co-pyrolysis of lignite and high-density polyethylene aiming to improve utilization of low-rank coal. in Polymers. 2021;13(5):759.
doi:10.3390/polym13050759 .
Kojić, Ivan, Bechtel, Achim, Aleksić, Nikoleta, Životić, Dragana, Trifunović, Snežana S., Gajica, Gordana, Stojanović, Ksenija A., "Study of the synergetic effect of co-pyrolysis of lignite and high-density polyethylene aiming to improve utilization of low-rank coal" in Polymers, 13, no. 5 (2021):759,
https://doi.org/10.3390/polym13050759 . .
1
1
1

Supplementary data for the article: Kojić, I.; Bechtel, A.; Aleksić, N.; Životić, D.; Trifunović, S.; Gajica, G.; Stojanović, K. Study of the Synergetic Effect of Co-Pyrolysis of Lignite and High-Density Polyethylene Aiming to Improve Utilization of Low-Rank Coal. Polymers 2021, 13 (5), 759. https://doi.org/10.3390/polym13050759.

Kojić, Ivan; Bechtel, Achim; Aleksić, Nikoleta; Životić, Dragana; Trifunović, Snežana S.; Gajica, Gordana; Stojanović, Ksenija A.

(MDPI, 2021)

TY  - DATA
AU  - Kojić, Ivan
AU  - Bechtel, Achim
AU  - Aleksić, Nikoleta
AU  - Životić, Dragana
AU  - Trifunović, Snežana S.
AU  - Gajica, Gordana
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - https://www.mdpi.com/2073-4360/13/5/759
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4398
PB  - MDPI
T2  - Polymers
T1  - Supplementary data for the article: Kojić, I.; Bechtel, A.; Aleksić, N.; Životić, D.; Trifunović, S.; Gajica, G.; Stojanović, K. Study of the Synergetic Effect of Co-Pyrolysis of Lignite and High-Density Polyethylene Aiming to Improve Utilization of Low-Rank Coal. Polymers 2021, 13 (5), 759. https://doi.org/10.3390/polym13050759.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4398
ER  - 
@misc{
author = "Kojić, Ivan and Bechtel, Achim and Aleksić, Nikoleta and Životić, Dragana and Trifunović, Snežana S. and Gajica, Gordana and Stojanović, Ksenija A.",
year = "2021",
publisher = "MDPI",
journal = "Polymers",
title = "Supplementary data for the article: Kojić, I.; Bechtel, A.; Aleksić, N.; Životić, D.; Trifunović, S.; Gajica, G.; Stojanović, K. Study of the Synergetic Effect of Co-Pyrolysis of Lignite and High-Density Polyethylene Aiming to Improve Utilization of Low-Rank Coal. Polymers 2021, 13 (5), 759. https://doi.org/10.3390/polym13050759.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4398"
}
Kojić, I., Bechtel, A., Aleksić, N., Životić, D., Trifunović, S. S., Gajica, G.,& Stojanović, K. A.. (2021). Supplementary data for the article: Kojić, I.; Bechtel, A.; Aleksić, N.; Životić, D.; Trifunović, S.; Gajica, G.; Stojanović, K. Study of the Synergetic Effect of Co-Pyrolysis of Lignite and High-Density Polyethylene Aiming to Improve Utilization of Low-Rank Coal. Polymers 2021, 13 (5), 759. https://doi.org/10.3390/polym13050759.. in Polymers
MDPI..
https://hdl.handle.net/21.15107/rcub_cherry_4398
Kojić I, Bechtel A, Aleksić N, Životić D, Trifunović SS, Gajica G, Stojanović KA. Supplementary data for the article: Kojić, I.; Bechtel, A.; Aleksić, N.; Životić, D.; Trifunović, S.; Gajica, G.; Stojanović, K. Study of the Synergetic Effect of Co-Pyrolysis of Lignite and High-Density Polyethylene Aiming to Improve Utilization of Low-Rank Coal. Polymers 2021, 13 (5), 759. https://doi.org/10.3390/polym13050759.. in Polymers. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4398 .
Kojić, Ivan, Bechtel, Achim, Aleksić, Nikoleta, Životić, Dragana, Trifunović, Snežana S., Gajica, Gordana, Stojanović, Ksenija A., "Supplementary data for the article: Kojić, I.; Bechtel, A.; Aleksić, N.; Životić, D.; Trifunović, S.; Gajica, G.; Stojanović, K. Study of the Synergetic Effect of Co-Pyrolysis of Lignite and High-Density Polyethylene Aiming to Improve Utilization of Low-Rank Coal. Polymers 2021, 13 (5), 759. https://doi.org/10.3390/polym13050759." in Polymers (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4398 .

Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia

Stevanović, Jelena; Rakitin, A. R.; Stojanović, Ksenija A.

(Springer, 2021)

TY  - JOUR
AU  - Stevanović, Jelena
AU  - Rakitin, A. R.
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4821
AB  - The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM.
PB  - Springer
T2  - Petroleum Chemistry
T1  - Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia
VL  - 61
IS  - 9
SP  - 1002
EP  - 1010
DO  - 10.1134/S0965544121090024
ER  - 
@article{
author = "Stevanović, Jelena and Rakitin, A. R. and Stojanović, Ksenija A.",
year = "2021",
abstract = "The paper describes an investigation of structural and geochemical properties of genetically similar crude oils from the Turija-sever field located in the South-Eastern Pannonian Basin, Serbia. Samples from 56 wells were examined by infrared spectroscopy (IR) and gas chromatography (GC). The IR spectral region of 2800– 3000 cm–1 was modeled by the sum of Lorentzian functions to reveal the contributions of aliphatic stretching vibrations, from which the alkane branching factor was evaluated. Being dependent on the aliphatic chain branching, the CH2 absorption peaks shifted by 3–4 cm–1 towards high frequencies when passing from the least-branched to the most-branched oil samples. This is associated with an increase in the fraction of gauche-conformations in polymethylene fragments. GC data shows the similarity of Turija-sever oils in thermal maturity, corresponding to to the early stage of liquid hydrocarbon generation and revealing a mixed aquatic-terrigenous origin of the precursor organic matter (OM) generated in a transitional reducing to weakly oxidizing depositional environment. In view of a significant correlation revealed between the alkane branching and the geochemistry, the samples were readily divided into two groups. Specifically, oils of Group I have a higher contribution of algae to the precursor OM and were generated under more reducing conditions than oils of Group II. The obtained data demonstrates in practice the advantage of the GC-IR combination to explain the structural and geochemical properties of sedimentary OM.",
publisher = "Springer",
journal = "Petroleum Chemistry",
title = "Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia",
volume = "61",
number = "9",
pages = "1002-1010",
doi = "10.1134/S0965544121090024"
}
Stevanović, J., Rakitin, A. R.,& Stojanović, K. A.. (2021). Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. in Petroleum Chemistry
Springer., 61(9), 1002-1010.
https://doi.org/10.1134/S0965544121090024
Stevanović J, Rakitin AR, Stojanović KA. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. in Petroleum Chemistry. 2021;61(9):1002-1010.
doi:10.1134/S0965544121090024 .
Stevanović, Jelena, Rakitin, A. R., Stojanović, Ksenija A., "Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia" in Petroleum Chemistry, 61, no. 9 (2021):1002-1010,
https://doi.org/10.1134/S0965544121090024 . .

Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.

Stevanović, Jelena; Rakitin, A. R.; Stojanović, Ksenija A.

(Springer, 2021)

TY  - DATA
AU  - Stevanović, Jelena
AU  - Rakitin, A. R.
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4822
PB  - Springer
T2  - Petroleum Chemistry
T1  - Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4822
ER  - 
@misc{
author = "Stevanović, Jelena and Rakitin, A. R. and Stojanović, Ksenija A.",
year = "2021",
publisher = "Springer",
journal = "Petroleum Chemistry",
title = "Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4822"
}
Stevanović, J., Rakitin, A. R.,& Stojanović, K. A.. (2021). Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.. in Petroleum Chemistry
Springer..
https://hdl.handle.net/21.15107/rcub_cherry_4822
Stevanović J, Rakitin AR, Stojanović KA. Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024.. in Petroleum Chemistry. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4822 .
Stevanović, Jelena, Rakitin, A. R., Stojanović, Ksenija A., "Supplementary data for the article: Stevanovic, J.; Rakitin, A. R.; Stojanovic, K. Correlation between the Stretching Vibrations of Aliphatic Groups and the Structural and Geochemical Properties of Crude Oils of the Same Genetic Type Using the Case of the Turija-Sever Oil Field, Pannonian Basin, Serbia. Pet. Chem. 2021, 61 (9), 1002–1010. https://doi.org/10.1134/S0965544121090024." in Petroleum Chemistry (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4822 .

Deashing and desulfurization of subbituminous coal from the East field (Bogovina Basin, Serbia) - insights from chemical leaching

Pantović-Spajić, Katarina; Marković, Branislav; Pavlović, Miroslav M.; Sokić, Miroslav; Zildžović, Snežana; Đorđević, Nataša; Stojanović, Ksenija A.

(Belgrade : Serbian Chemical Society, 2021)

TY  - JOUR
AU  - Pantović-Spajić, Katarina
AU  - Marković, Branislav
AU  - Pavlović, Miroslav M.
AU  - Sokić, Miroslav
AU  - Zildžović, Snežana
AU  - Đorđević, Nataša
AU  - Stojanović, Ksenija A.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4845
AB  - The study is focused on the determination of the most effective chemical leaching process for the simultaneous demineralization/deashing and desulfurization of subbituminous coal from the Bogovina Basin. Coal was treated for 30 min, at different temperatures, using variable concentrations of hydrochloric, nitric, acetic and citric acids; hydrogen peroxide, mixture of hydrogen peroxide and nitric acid (pH 2), as well as by the stepwise leaching process (nitric acid + mixture of hydrogen peroxide and nitric acid, pH 2). The changes in mineral composition, caused by the chemical leaching, are followed using X-ray diffraction, whereas alterations of coal organic matter are tracked by Fourier-transform infrared spectroscopy and the content of fixed carbon. Inorganic acid leaching, regardless of the temperature and acid concentration, enabled the successful deashing of coal, whereas the percent of desulfurization was insufficient. The organic acid leaching was not satisfactory for both, deashing and desulfurization. Leaching by H2O2 and H2O2/HNO3 mixture (pH 2) resulted in moderate desulfurization, but the ash reduction was low. The most suitable method for the simultaneous effective ash (78 wt.%) and the sulfur (66 wt. %) removal from Bogovina coal is the two-step leaching, combining 10 vol. % HNO3 and mixture of 35 vol. % H2O2/10 vol. % HNO3 of pH 2 at 60°C.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Deashing and desulfurization of subbituminous coal from the East field (Bogovina Basin, Serbia) - insights from chemical leaching
VL  - 86
IS  - 11
SP  - 1113
EP  - 1126
DO  - 10.2298/JSC210719061P
ER  - 
@article{
author = "Pantović-Spajić, Katarina and Marković, Branislav and Pavlović, Miroslav M. and Sokić, Miroslav and Zildžović, Snežana and Đorđević, Nataša and Stojanović, Ksenija A.",
year = "2021",
abstract = "The study is focused on the determination of the most effective chemical leaching process for the simultaneous demineralization/deashing and desulfurization of subbituminous coal from the Bogovina Basin. Coal was treated for 30 min, at different temperatures, using variable concentrations of hydrochloric, nitric, acetic and citric acids; hydrogen peroxide, mixture of hydrogen peroxide and nitric acid (pH 2), as well as by the stepwise leaching process (nitric acid + mixture of hydrogen peroxide and nitric acid, pH 2). The changes in mineral composition, caused by the chemical leaching, are followed using X-ray diffraction, whereas alterations of coal organic matter are tracked by Fourier-transform infrared spectroscopy and the content of fixed carbon. Inorganic acid leaching, regardless of the temperature and acid concentration, enabled the successful deashing of coal, whereas the percent of desulfurization was insufficient. The organic acid leaching was not satisfactory for both, deashing and desulfurization. Leaching by H2O2 and H2O2/HNO3 mixture (pH 2) resulted in moderate desulfurization, but the ash reduction was low. The most suitable method for the simultaneous effective ash (78 wt.%) and the sulfur (66 wt. %) removal from Bogovina coal is the two-step leaching, combining 10 vol. % HNO3 and mixture of 35 vol. % H2O2/10 vol. % HNO3 of pH 2 at 60°C.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Deashing and desulfurization of subbituminous coal from the East field (Bogovina Basin, Serbia) - insights from chemical leaching",
volume = "86",
number = "11",
pages = "1113-1126",
doi = "10.2298/JSC210719061P"
}
Pantović-Spajić, K., Marković, B., Pavlović, M. M., Sokić, M., Zildžović, S., Đorđević, N.,& Stojanović, K. A.. (2021). Deashing and desulfurization of subbituminous coal from the East field (Bogovina Basin, Serbia) - insights from chemical leaching. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 86(11), 1113-1126.
https://doi.org/10.2298/JSC210719061P
Pantović-Spajić K, Marković B, Pavlović MM, Sokić M, Zildžović S, Đorđević N, Stojanović KA. Deashing and desulfurization of subbituminous coal from the East field (Bogovina Basin, Serbia) - insights from chemical leaching. in Journal of the Serbian Chemical Society. 2021;86(11):1113-1126.
doi:10.2298/JSC210719061P .
Pantović-Spajić, Katarina, Marković, Branislav, Pavlović, Miroslav M., Sokić, Miroslav, Zildžović, Snežana, Đorđević, Nataša, Stojanović, Ksenija A., "Deashing and desulfurization of subbituminous coal from the East field (Bogovina Basin, Serbia) - insights from chemical leaching" in Journal of the Serbian Chemical Society, 86, no. 11 (2021):1113-1126,
https://doi.org/10.2298/JSC210719061P . .

Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study

Stojiljković, Ivana N.; Rančić, Milica; Marinković, Aleksandar; Cvijetić, Ilija; Milčić, Miloš K.

(Elsevier, 2021)

TY  - JOUR
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4420
AB  - Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study
VL  - 253
SP  - 119576
DO  - 10.1016/j.saa.2021.119576
ER  - 
@article{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
abstract = "Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study",
volume = "253",
pages = "119576",
doi = "10.1016/j.saa.2021.119576"
}
Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K.. (2021). Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier., 253, 119576.
https://doi.org/10.1016/j.saa.2021.119576
Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;253:119576.
doi:10.1016/j.saa.2021.119576 .
Stojiljković, Ivana N., Rančić, Milica, Marinković, Aleksandar, Cvijetić, Ilija, Milčić, Miloš K., "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study" in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 253 (2021):119576,
https://doi.org/10.1016/j.saa.2021.119576 . .

Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.

Stojiljković, Ivana N.; Rančić, Milica; Marinković, Aleksandar; Cvijetić, Ilija; Milčić, Miloš K.

(Elsevier, 2021)

TY  - DATA
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4421
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4421
ER  - 
@misc{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4421"
}
Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K.. (2021). Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4421
Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4421 .
Stojiljković, Ivana N., Rančić, Milica, Marinković, Aleksandar, Cvijetić, Ilija, Milčić, Miloš K., "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576." in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4421 .

Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives

Mrđan, Gorana S.; Vastag, Gyöngyi Gy.; Škorić, Dušan Đ.; Radanović, Mirjana M.; Verbić, Tatjana; Milčić, Miloš K.; Stojiljković, Ivana N.; Marković, Olivera S.; Matijević, Borko M.

(Springer Nature, 2021)

TY  - JOUR
AU  - Mrđan, Gorana S.
AU  - Vastag, Gyöngyi Gy.
AU  - Škorić, Dušan Đ.
AU  - Radanović, Mirjana M.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Stojiljković, Ivana N.
AU  - Marković, Olivera S.
AU  - Matijević, Borko M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4453
AB  - Derivatives of thiocarbohydrazone studied so far have shown great biological activity such as antioxidant, antimicrobial, and anticancer. Most of these compounds are bis-substituted derivatives, while monothiocarbohydrazones are much less investigated. Еighteen monothiocarbohydrazones were synthesized and subjected to physicochemical characterization in order to facilitate the examination of their potential biological activity and application in future studies. The structure of synthesized derivatives was confirmed with NMR and FT–IR spectroscopy, and with elemental analysis. For one of the compounds, single-crystal X-ray diffraction analysis was performed. Specific and non-specific molecular interactions were interpreted by LSER principles, using Catalan’s model. For additional information about the dominance and influence of the interactions presented, correlations with Hansen’s solubility parameters were calculated. Influence of the type and position of the substituent on absorption maxima was determined with LFER (linear free-energy relationship) principles, using Hammett’s equation. Acidity constants of the synthesized compounds were theoretically calculated and experimentally determined. Moreover, the excitation of a molecule by a photon of UV–Vis light was interpreted by time-dependent density functional theory (TD–DFT) calculations of UV absorption bands, and intramolecular charge transfer (ICT) was quantified by calculations of the charge transfer distances (DCT). © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature.
PB  - Springer Nature
T2  - Structural Chemistry
T2  - Structural Chemistry
T2  - Structural Chemistry
T1  - Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives
VL  - 32
IS  - 3
SP  - 1231
EP  - 1245
DO  - 10.1007/s11224-020-01700-y
ER  - 
@article{
author = "Mrđan, Gorana S. and Vastag, Gyöngyi Gy. and Škorić, Dušan Đ. and Radanović, Mirjana M. and Verbić, Tatjana and Milčić, Miloš K. and Stojiljković, Ivana N. and Marković, Olivera S. and Matijević, Borko M.",
year = "2021",
abstract = "Derivatives of thiocarbohydrazone studied so far have shown great biological activity such as antioxidant, antimicrobial, and anticancer. Most of these compounds are bis-substituted derivatives, while monothiocarbohydrazones are much less investigated. Еighteen monothiocarbohydrazones were synthesized and subjected to physicochemical characterization in order to facilitate the examination of their potential biological activity and application in future studies. The structure of synthesized derivatives was confirmed with NMR and FT–IR spectroscopy, and with elemental analysis. For one of the compounds, single-crystal X-ray diffraction analysis was performed. Specific and non-specific molecular interactions were interpreted by LSER principles, using Catalan’s model. For additional information about the dominance and influence of the interactions presented, correlations with Hansen’s solubility parameters were calculated. Influence of the type and position of the substituent on absorption maxima was determined with LFER (linear free-energy relationship) principles, using Hammett’s equation. Acidity constants of the synthesized compounds were theoretically calculated and experimentally determined. Moreover, the excitation of a molecule by a photon of UV–Vis light was interpreted by time-dependent density functional theory (TD–DFT) calculations of UV absorption bands, and intramolecular charge transfer (ICT) was quantified by calculations of the charge transfer distances (DCT). © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature.",
publisher = "Springer Nature",
journal = "Structural Chemistry, Structural Chemistry, Structural Chemistry",
title = "Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives",
volume = "32",
number = "3",
pages = "1231-1245",
doi = "10.1007/s11224-020-01700-y"
}
Mrđan, G. S., Vastag, G. Gy., Škorić, D. Đ., Radanović, M. M., Verbić, T., Milčić, M. K., Stojiljković, I. N., Marković, O. S.,& Matijević, B. M.. (2021). Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives. in Structural Chemistry
Springer Nature., 32(3), 1231-1245.
https://doi.org/10.1007/s11224-020-01700-y
Mrđan GS, Vastag GG, Škorić DĐ, Radanović MM, Verbić T, Milčić MK, Stojiljković IN, Marković OS, Matijević BM. Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives. in Structural Chemistry. 2021;32(3):1231-1245.
doi:10.1007/s11224-020-01700-y .
Mrđan, Gorana S., Vastag, Gyöngyi Gy., Škorić, Dušan Đ., Radanović, Mirjana M., Verbić, Tatjana, Milčić, Miloš K., Stojiljković, Ivana N., Marković, Olivera S., Matijević, Borko M., "Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives" in Structural Chemistry, 32, no. 3 (2021):1231-1245,
https://doi.org/10.1007/s11224-020-01700-y . .

Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.

Mrđan, Gorana S.; Vastag, Gyöngyi Gy.; Škorić, Dušan Đ.; Radanović, Mirjana M.; Verbić, Tatjana; Milčić, Miloš K.; Stojiljković, Ivana N.; Marković, Olivera S.; Matijević, Borko M.

(Springer Nature, 2021)

TY  - DATA
AU  - Mrđan, Gorana S.
AU  - Vastag, Gyöngyi Gy.
AU  - Škorić, Dušan Đ.
AU  - Radanović, Mirjana M.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Stojiljković, Ivana N.
AU  - Marković, Olivera S.
AU  - Matijević, Borko M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4454
PB  - Springer Nature
T2  - Structural Chemistry
T1  - Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4454
ER  - 
@misc{
author = "Mrđan, Gorana S. and Vastag, Gyöngyi Gy. and Škorić, Dušan Đ. and Radanović, Mirjana M. and Verbić, Tatjana and Milčić, Miloš K. and Stojiljković, Ivana N. and Marković, Olivera S. and Matijević, Borko M.",
year = "2021",
publisher = "Springer Nature",
journal = "Structural Chemistry",
title = "Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4454"
}
Mrđan, G. S., Vastag, G. Gy., Škorić, D. Đ., Radanović, M. M., Verbić, T., Milčić, M. K., Stojiljković, I. N., Marković, O. S.,& Matijević, B. M.. (2021). Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.. in Structural Chemistry
Springer Nature..
https://hdl.handle.net/21.15107/rcub_cherry_4454
Mrđan GS, Vastag GG, Škorić DĐ, Radanović MM, Verbić T, Milčić MK, Stojiljković IN, Marković OS, Matijević BM. Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.. in Structural Chemistry. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4454 .
Mrđan, Gorana S., Vastag, Gyöngyi Gy., Škorić, Dušan Đ., Radanović, Mirjana M., Verbić, Tatjana, Milčić, Miloš K., Stojiljković, Ivana N., Marković, Olivera S., Matijević, Borko M., "Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y." in Structural Chemistry (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4454 .