TY  - DATA
AU  - Penjišević, Jelena 
AU  - Šukalović, Vladimir 
AU  - Dukić-Stefanović, Slađana
AU  - Deuther-Conrad, Winnie
AU  - Andrić, Deana 
AU  - Kostić-Rajačić, Slađana
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5845
AB  - Serotonin receptors modulate numerous behavioral and neuropsychological processes. Therefore, they are the target for the action of many drugs, such as antipsychotics, antidepressants, antiemetics, migraine remedies, and many others. The 5-HT1A receptors have been involved in the pathogenesis and treatment of anxiety and depression and represent a promising target for new drugs with reduced extrapyramidal side effects. In most antidepressants, a piperazine-based structural motif can be identified as a common moiety. Here we describe the synthesis, pharmacological, and in silico characterization of a novel arylpiperazines series with excellent 5-HT1A affinity. The final compounds, 4a, 8a, and 8b, were selected according to predictions of in silico pharmacokinetics, docking analysis, and molecular dynamics in conjunction with physical properties, and metabolic stability. The accentuated molecules could serve as a lead compound for developing 5-HT1A drug-like molecules for depression treatment.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636
VL  - 16
IS  - 4
SP  - 104636
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5845
ER  - 

@misc{
author = "Penjišević, Jelena  and Šukalović, Vladimir  and Dukić-Stefanović, Slađana and Deuther-Conrad, Winnie and Andrić, Deana  and Kostić-Rajačić, Slađana",
abstract = "Serotonin receptors modulate numerous behavioral and neuropsychological processes. Therefore, they are the target for the action of many drugs, such as antipsychotics, antidepressants, antiemetics, migraine remedies, and many others. The 5-HT1A receptors have been involved in the pathogenesis and treatment of anxiety and depression and represent a promising target for new drugs with reduced extrapyramidal side effects. In most antidepressants, a piperazine-based structural motif can be identified as a common moiety. Here we describe the synthesis, pharmacological, and in silico characterization of a novel arylpiperazines series with excellent 5-HT1A affinity. The final compounds, 4a, 8a, and 8b, were selected according to predictions of in silico pharmacokinetics, docking analysis, and molecular dynamics in conjunction with physical properties, and metabolic stability. The accentuated molecules could serve as a lead compound for developing 5-HT1A drug-like molecules for depression treatment.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636",
volume = "16",
number = "4",
pages = "104636",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5845"
}

Penjišević, J., Šukalović, V., Dukić-Stefanović, S., Deuther-Conrad, W., Andrić, D.,& Kostić-Rajačić, S..Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636. in Arabian Journal of Chemistry
Elsevier., 16(4), 104636.
https://hdl.handle.net/21.15107/rcub_cherry_5845

Penjišević J, Šukalović V, Dukić-Stefanović S, Deuther-Conrad W, Andrić D, Kostić-Rajačić S. Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636. in Arabian Journal of Chemistry.16(4):104636.
https://hdl.handle.net/21.15107/rcub_cherry_5845 .

Penjišević, Jelena , Šukalović, Vladimir , Dukić-Stefanović, Slađana, Deuther-Conrad, Winnie, Andrić, Deana , Kostić-Rajačić, Slađana, "Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636" in Arabian Journal of Chemistry, 16, no. 4:104636,
https://hdl.handle.net/21.15107/rcub_cherry_5845 .

TY  - DATA
AU  - Aleksić, Jovana
AU  - Stojanović, Milovan
AU  - Bošković, Jakša
AU  - Baranac-Stojanović, Marija
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5846
AB  - We present the green, highly atom-economical, solid-state silica gel-catalyzed synthesis of polysubstituted 1,4- and 1,2-dihydropyridines (DHPs) from commercially available materials, amines and ethyl propiolate. The DHP skeleton was assembled by heating the reactants and silica gel in a closed vessel. Aliphatic amines provided 1,4-isomers as the main or only DHP products, but the reactions of aromatic amines yielded a mixture of 1,4- and 1,2-isomers. To the best of our knowledge, this is the first example of the formation of a 1,2-DHP structure by the reaction of an amine with propiolic ester. Addition of 1 mass percent of H2SO4 to silica gel shifted the product distribution to 1,4-DHP as the main or the only isomer obtained. Experimental and theoretical analyses led to the identification of two key intermediates en route to DHPs and the explanation of the observed regioisomeric ratios. 1,2-DHPs show blue-cyan fluorescence in MeOH with the quantum yield Φ = 0.10–0.22 relative to quinine sulfate Φ = 0.58 and 1,4-DHPs show blue-violet fluorescence with Φ = 0.09–0.81.
PB  - Royal Society of Chemistry
T2  - Organic & Biomolecular Chemistry
T1  - Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F
VL  - 21
IS  - 6
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5846
ER  - 

@misc{
author = "Aleksić, Jovana and Stojanović, Milovan and Bošković, Jakša and Baranac-Stojanović, Marija",
abstract = "We present the green, highly atom-economical, solid-state silica gel-catalyzed synthesis of polysubstituted 1,4- and 1,2-dihydropyridines (DHPs) from commercially available materials, amines and ethyl propiolate. The DHP skeleton was assembled by heating the reactants and silica gel in a closed vessel. Aliphatic amines provided 1,4-isomers as the main or only DHP products, but the reactions of aromatic amines yielded a mixture of 1,4- and 1,2-isomers. To the best of our knowledge, this is the first example of the formation of a 1,2-DHP structure by the reaction of an amine with propiolic ester. Addition of 1 mass percent of H2SO4 to silica gel shifted the product distribution to 1,4-DHP as the main or the only isomer obtained. Experimental and theoretical analyses led to the identification of two key intermediates en route to DHPs and the explanation of the observed regioisomeric ratios. 1,2-DHPs show blue-cyan fluorescence in MeOH with the quantum yield Φ = 0.10–0.22 relative to quinine sulfate Φ = 0.58 and 1,4-DHPs show blue-violet fluorescence with Φ = 0.09–0.81.",
publisher = "Royal Society of Chemistry",
journal = "Organic & Biomolecular Chemistry",
title = "Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F",
volume = "21",
number = "6",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5846"
}

Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M..Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6).
https://hdl.handle.net/21.15107/rcub_cherry_5846

Aleksić J, Stojanović M, Bošković J, Baranac-Stojanović M. Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F. in Organic & Biomolecular Chemistry.21(6).
https://hdl.handle.net/21.15107/rcub_cherry_5846 .

Aleksić, Jovana, Stojanović, Milovan, Bošković, Jakša, Baranac-Stojanović, Marija, "Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F" in Organic & Biomolecular Chemistry, 21, no. 6,
https://hdl.handle.net/21.15107/rcub_cherry_5846 .

TY  - JOUR
AU  - Đurašinović, Tatjana
AU  - Lopandić, Zorana
AU  - Protić-Rosić, Isidora
AU  - Nešić, Andrijana
AU  - Trbojević-Ivić, Jovana
AU  - Jappe, Uta
AU  - Gavrović-Jankulović, Marija
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6338
AB  - Banana allergy is often associated with the pollen and latex allergies, which led us to the  hypothesis that some yet unidentified banana allergen could provide a basis of the latex-pollen-fruit syndrome. S-adenosyl-L-homocysteine hydrolase (SAHH) was recently identified in the literature as a novel plant allergen. This study aimed to assess the allergenic potential of the naturally occurring banana SAHH (nSAHH) and its recombinant homolog produced in E. coli (rSAHH). nSAHH showed IgE reactivity with a serum pool of twelve banana-allergic persons,
while rSAHH displayed IgE reactivity in ten out of the twelve tested patients. Five linear B-cell epitopes were identified on the rSAHH surface, exhibiting ≥ 90 % sequence homology with relevant plant SAHH allergens. Our findings have elucidated SAHH as a novel plant panallergen, underlying the cross-reactivity between plant derived food and respiratory allergens, confirming our initial hypothesis.
PB  - Elsevier
T2  - Food Chemistry
T1  - Identification of S-adenosyl-L-homocysteine hydrolase from banana fruit as a novel plant panallergen
VL  - 437
SP  - 137782
DO  - 10.1016/j.foodchem.2023.137782
ER  - 

@article{
author = "Đurašinović, Tatjana and Lopandić, Zorana and Protić-Rosić, Isidora and Nešić, Andrijana and Trbojević-Ivić, Jovana and Jappe, Uta and Gavrović-Jankulović, Marija",
year = "2024",
abstract = "Banana allergy is often associated with the pollen and latex allergies, which led us to the  hypothesis that some yet unidentified banana allergen could provide a basis of the latex-pollen-fruit syndrome. S-adenosyl-L-homocysteine hydrolase (SAHH) was recently identified in the literature as a novel plant allergen. This study aimed to assess the allergenic potential of the naturally occurring banana SAHH (nSAHH) and its recombinant homolog produced in E. coli (rSAHH). nSAHH showed IgE reactivity with a serum pool of twelve banana-allergic persons,
while rSAHH displayed IgE reactivity in ten out of the twelve tested patients. Five linear B-cell epitopes were identified on the rSAHH surface, exhibiting ≥ 90 % sequence homology with relevant plant SAHH allergens. Our findings have elucidated SAHH as a novel plant panallergen, underlying the cross-reactivity between plant derived food and respiratory allergens, confirming our initial hypothesis.",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Identification of S-adenosyl-L-homocysteine hydrolase from banana fruit as a novel plant panallergen",
volume = "437",
pages = "137782",
doi = "10.1016/j.foodchem.2023.137782"
}

Đurašinović, T., Lopandić, Z., Protić-Rosić, I., Nešić, A., Trbojević-Ivić, J., Jappe, U.,& Gavrović-Jankulović, M.. (2024). Identification of S-adenosyl-L-homocysteine hydrolase from banana fruit as a novel plant panallergen. in Food Chemistry
Elsevier., 437, 137782.
https://doi.org/10.1016/j.foodchem.2023.137782

Đurašinović T, Lopandić Z, Protić-Rosić I, Nešić A, Trbojević-Ivić J, Jappe U, Gavrović-Jankulović M. Identification of S-adenosyl-L-homocysteine hydrolase from banana fruit as a novel plant panallergen. in Food Chemistry. 2024;437:137782.
doi:10.1016/j.foodchem.2023.137782 .

Đurašinović, Tatjana, Lopandić, Zorana, Protić-Rosić, Isidora, Nešić, Andrijana, Trbojević-Ivić, Jovana, Jappe, Uta, Gavrović-Jankulović, Marija, "Identification of S-adenosyl-L-homocysteine hydrolase from banana fruit as a novel plant panallergen" in Food Chemistry, 437 (2024):137782,
https://doi.org/10.1016/j.foodchem.2023.137782 . .

TY  - JOUR
AU  - Milenković, Mila
AU  - Ciasca, Gabriele
AU  - Bonasera, Aurelio
AU  - Scopelliti, Michelangelo
AU  - Marković, Olivera
AU  - Verbić, Tatjana
AU  - Todorović Marković, Biljana
AU  - Jovanović, Svetlana
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6303
AB  - The widespread abuse of traditional antibiotics has led to a global rise in antibiotic-resistant bacteria, which give 
in return unprecedented health risks. Therefore, there is a large and urgent need for the development of new, 
smart antibacterial agents able to efficiently kill or inhibit bacterial growth. In this study, we investigated the 
antibacterial activity of S, N-doped Graphene Quantum Dots (GQDs) as a light-triggered antibacterial agent. 
Gamma irradiation was employed as a tool to achieve one-step modification of GQDs in the presence of L cysteine amino acid as a source of heteroatoms. X-ray Photoelectron Spectroscopy (XPS), nuclear magnetic 
resonance (NMR), and zeta potential measurements provided the necessary data to clarify the structure of 
modified dots and verify the introduction of both S- and N-atoms in GQDs structure, but also severe changes in 
the aromatic, sp2 domains. Namely, γ-irradiation caused a bonding of S atoms in 1.14 at.% mainly as thiol 
groups, and N in 1.81 at.% as amino groups, but sp2 contribution in GQD structure was lowered from 63.00 to 
4.86 at.%, as measured in dots irradiated at a dose of 200 kGy. Fluorescence quenching measurements showed 
that L-cysteine-modified dots are able to bind to human serum albumin. The antibacterial activity of GQDs 
combined with 1 and 6 h of blue light (470 nm) irradiation was tested against 8 bacterial strains. GQD-cys-25 
sample provided the best results, with minimum inhibitory concentration (MIC) as low as 125 μg/mL against 
S. aureus, E. faecalis, and E. coli after only 1 h of blue light exposure.
PB  - Elsevier
T2  - Journal of Photochemistry & Photobiology, B: Biology
T1  - Blue-light-driven photoactivity of L-cysteine-modified graphene quantum  dots and their antibacterial effects
VL  - 250
SP  - 112818
DO  - 10.1016/j.jphotobiol.2023.112818
ER  - 

@article{
author = "Milenković, Mila and Ciasca, Gabriele and Bonasera, Aurelio and Scopelliti, Michelangelo and Marković, Olivera and Verbić, Tatjana and Todorović Marković, Biljana and Jovanović, Svetlana",
year = "2024",
abstract = "The widespread abuse of traditional antibiotics has led to a global rise in antibiotic-resistant bacteria, which give 
in return unprecedented health risks. Therefore, there is a large and urgent need for the development of new, 
smart antibacterial agents able to efficiently kill or inhibit bacterial growth. In this study, we investigated the 
antibacterial activity of S, N-doped Graphene Quantum Dots (GQDs) as a light-triggered antibacterial agent. 
Gamma irradiation was employed as a tool to achieve one-step modification of GQDs in the presence of L cysteine amino acid as a source of heteroatoms. X-ray Photoelectron Spectroscopy (XPS), nuclear magnetic 
resonance (NMR), and zeta potential measurements provided the necessary data to clarify the structure of 
modified dots and verify the introduction of both S- and N-atoms in GQDs structure, but also severe changes in 
the aromatic, sp2 domains. Namely, γ-irradiation caused a bonding of S atoms in 1.14 at.% mainly as thiol 
groups, and N in 1.81 at.% as amino groups, but sp2 contribution in GQD structure was lowered from 63.00 to 
4.86 at.%, as measured in dots irradiated at a dose of 200 kGy. Fluorescence quenching measurements showed 
that L-cysteine-modified dots are able to bind to human serum albumin. The antibacterial activity of GQDs 
combined with 1 and 6 h of blue light (470 nm) irradiation was tested against 8 bacterial strains. GQD-cys-25 
sample provided the best results, with minimum inhibitory concentration (MIC) as low as 125 μg/mL against 
S. aureus, E. faecalis, and E. coli after only 1 h of blue light exposure.",
publisher = "Elsevier",
journal = "Journal of Photochemistry & Photobiology, B: Biology",
title = "Blue-light-driven photoactivity of L-cysteine-modified graphene quantum  dots and their antibacterial effects",
volume = "250",
pages = "112818",
doi = "10.1016/j.jphotobiol.2023.112818"
}

Milenković, M., Ciasca, G., Bonasera, A., Scopelliti, M., Marković, O., Verbić, T., Todorović Marković, B.,& Jovanović, S.. (2024). Blue-light-driven photoactivity of L-cysteine-modified graphene quantum  dots and their antibacterial effects. in Journal of Photochemistry & Photobiology, B: Biology
Elsevier., 250, 112818.
https://doi.org/10.1016/j.jphotobiol.2023.112818

Milenković M, Ciasca G, Bonasera A, Scopelliti M, Marković O, Verbić T, Todorović Marković B, Jovanović S. Blue-light-driven photoactivity of L-cysteine-modified graphene quantum  dots and their antibacterial effects. in Journal of Photochemistry & Photobiology, B: Biology. 2024;250:112818.
doi:10.1016/j.jphotobiol.2023.112818 .

Milenković, Mila, Ciasca, Gabriele, Bonasera, Aurelio, Scopelliti, Michelangelo, Marković, Olivera, Verbić, Tatjana, Todorović Marković, Biljana, Jovanović, Svetlana, "Blue-light-driven photoactivity of L-cysteine-modified graphene quantum  dots and their antibacterial effects" in Journal of Photochemistry & Photobiology, B: Biology, 250 (2024):112818,
https://doi.org/10.1016/j.jphotobiol.2023.112818 . .

TY  - CONF
AU  - Veljković, Dušan Ž.
PY  - 2023-11-04
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6294
AB  - Acetylsalicylic acid is a pharmaceutical drug well-known for its anti-inflammatory and
antipyretic effects, and it is commonly used for the treatment of pain and fever caused
by different diseases.[1] However, it is well known that pharmaceutical properties highly
depend on the geometry of chemical compounds. [2] Herein, we present a theoretical
study of the relationship between molecular geometry and chemical properties for
various acetylsalicylic acid structures obtained from the Cambridge Structural Database
(CSD). It is significant to emphasize that studied structures were synthesized and studied
under different experimental conditions, and some of them were classified as different
polymorphic structures.
In this work, we used quantum chemical calculations to study the influence of
differences in geometries on values of calculated electrostatic potentials in critical points
of selected acetylsalicylic acid molecules. The results showed that different crystal
structures have significant deviations in electrostatic potential values in critical points
above the ortho-Ar hydrogen atom. In addition, we studied the influence of geometry
differences on the strength of C-H/O interaction between acetylsalicylic acid and water
molecules. The results suggest that minor differences in the molecular geometry of
acetylsalicylic acid could significantly influence the strength of C-H/O interaction. In
conclusion, the geometry differences could have a crucial effect on the strength of non-
covalent interactions and pharmaceutical properties of acetylsalicylic acid.
PB  - Serbian Chemical Society
T1  - Theoretical study of the relationship between molecular geometry and strength of hydrogen bonds in acetylsalicylic acid
SP  - 110
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6294
ER  - 

@conference{
author = "Veljković, Dušan Ž.",
year = "2023-11-04",
abstract = "Acetylsalicylic acid is a pharmaceutical drug well-known for its anti-inflammatory and
antipyretic effects, and it is commonly used for the treatment of pain and fever caused
by different diseases.[1] However, it is well known that pharmaceutical properties highly
depend on the geometry of chemical compounds. [2] Herein, we present a theoretical
study of the relationship between molecular geometry and chemical properties for
various acetylsalicylic acid structures obtained from the Cambridge Structural Database
(CSD). It is significant to emphasize that studied structures were synthesized and studied
under different experimental conditions, and some of them were classified as different
polymorphic structures.
In this work, we used quantum chemical calculations to study the influence of
differences in geometries on values of calculated electrostatic potentials in critical points
of selected acetylsalicylic acid molecules. The results showed that different crystal
structures have significant deviations in electrostatic potential values in critical points
above the ortho-Ar hydrogen atom. In addition, we studied the influence of geometry
differences on the strength of C-H/O interaction between acetylsalicylic acid and water
molecules. The results suggest that minor differences in the molecular geometry of
acetylsalicylic acid could significantly influence the strength of C-H/O interaction. In
conclusion, the geometry differences could have a crucial effect on the strength of non-
covalent interactions and pharmaceutical properties of acetylsalicylic acid.",
publisher = "Serbian Chemical Society",
title = "Theoretical study of the relationship between molecular geometry and strength of hydrogen bonds in acetylsalicylic acid",
pages = "110",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6294"
}

Veljković, D. Ž.. (2023-11-04). Theoretical study of the relationship between molecular geometry and strength of hydrogen bonds in acetylsalicylic acid. 
Serbian Chemical Society., 110.
https://hdl.handle.net/21.15107/rcub_cherry_6294

Veljković DŽ. Theoretical study of the relationship between molecular geometry and strength of hydrogen bonds in acetylsalicylic acid. 2023;:110.
https://hdl.handle.net/21.15107/rcub_cherry_6294 .

Veljković, Dušan Ž., "Theoretical study of the relationship between molecular geometry and strength of hydrogen bonds in acetylsalicylic acid" (2023-11-04):110,
https://hdl.handle.net/21.15107/rcub_cherry_6294 .

TY  - CONF
AU  - Veljković, Dušan Ž.
AU  - Đunović, Aleksandra
PY  - 2023-11-04
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6295
AB  - It is known that positive potentials above the central regions of molecular surfaces are
indicators of the sensitivity towards detonation of molecules.[1] The higher the value is,
the more sensitive the molecule is considered to be. The presence of halogens in the
molecule significantly affects the charge distribution, and thus the sensitivity. However,
the exact influence depends on the type of halogen due to their different strength of
electron-withdrawing effect.[2]
In this work, electrostatic potential maps were calculated for the optimized geometries
of 1-halo-2,4,6-trinitrobenzene, 1,3-dihalo-2,4,6-trinitrobenzene and 1,3,5-trihalo-2,4,6
-trinitrobenzene. The geometry optimizations were obtained using the PBEPBE/6-
311G** level of theory in the Gaussian program. Calculations were made with and
without the inclusion of GD3BJ dispersion. The wfn files used in the WFA-SAS program
to obtain electrostatic potential maps for the mentioned molecules were obtained using
the same combination of method and basis set.
The results showed that within groups of molecules containing the same number of
halogen substituents, the value of the positive potential above the central region of the
molecule is the highest in cases where the substituent is fluorine. There is a decrease in
value as the substituents change in the direction from fluorine to iodine, with the largest
decrease being recorded in the case of 1,3,5-trihalo-2,4,6-trinitrobenzene. The obtained
results are in accordance with the strength of electron-withdrawing effect of the halogen
elements. There is also a noticeable trend of the increase in positive electrostatic
potential values with the increase in the number of halogen substituents (with the
exception of the sequence in which chlorine is the substituent).
PB  - Serbian Chemical Society
T1  - Influence of the number of halogen substituents and their type on the electrostatic potential of TNB molecules
SP  - 104
EP  - 104
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6295
ER  - 

@conference{
author = "Veljković, Dušan Ž. and Đunović, Aleksandra",
year = "2023-11-04",
abstract = "It is known that positive potentials above the central regions of molecular surfaces are
indicators of the sensitivity towards detonation of molecules.[1] The higher the value is,
the more sensitive the molecule is considered to be. The presence of halogens in the
molecule significantly affects the charge distribution, and thus the sensitivity. However,
the exact influence depends on the type of halogen due to their different strength of
electron-withdrawing effect.[2]
In this work, electrostatic potential maps were calculated for the optimized geometries
of 1-halo-2,4,6-trinitrobenzene, 1,3-dihalo-2,4,6-trinitrobenzene and 1,3,5-trihalo-2,4,6
-trinitrobenzene. The geometry optimizations were obtained using the PBEPBE/6-
311G** level of theory in the Gaussian program. Calculations were made with and
without the inclusion of GD3BJ dispersion. The wfn files used in the WFA-SAS program
to obtain electrostatic potential maps for the mentioned molecules were obtained using
the same combination of method and basis set.
The results showed that within groups of molecules containing the same number of
halogen substituents, the value of the positive potential above the central region of the
molecule is the highest in cases where the substituent is fluorine. There is a decrease in
value as the substituents change in the direction from fluorine to iodine, with the largest
decrease being recorded in the case of 1,3,5-trihalo-2,4,6-trinitrobenzene. The obtained
results are in accordance with the strength of electron-withdrawing effect of the halogen
elements. There is also a noticeable trend of the increase in positive electrostatic
potential values with the increase in the number of halogen substituents (with the
exception of the sequence in which chlorine is the substituent).",
publisher = "Serbian Chemical Society",
title = "Influence of the number of halogen substituents and their type on the electrostatic potential of TNB molecules",
pages = "104-104",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6295"
}

Veljković, D. Ž.,& Đunović, A.. (2023-11-04). Influence of the number of halogen substituents and their type on the electrostatic potential of TNB molecules. 
Serbian Chemical Society., 104-104.
https://hdl.handle.net/21.15107/rcub_cherry_6295

Veljković DŽ, Đunović A. Influence of the number of halogen substituents and their type on the electrostatic potential of TNB molecules. 2023;:104-104.
https://hdl.handle.net/21.15107/rcub_cherry_6295 .

Veljković, Dušan Ž., Đunović, Aleksandra, "Influence of the number of halogen substituents and their type on the electrostatic potential of TNB molecules" (2023-11-04):104-104,
https://hdl.handle.net/21.15107/rcub_cherry_6295 .

TY  - JOUR
AU  - Veljković, Dušan
AU  - Kretić, Danijela
AU  - Veljković, Ivana
PY  - 2023-08-18
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6290
AB  - Decreasing the sensitivity towards detonation of high-energy materials (HEMs) is the
ultimate goal of numerous theoretical and experimental studies. It is known that positive electrostatic
potential above the central areas of the molecular surface is related to high sensitivity towards the
detonation of high-energy molecules. Coordination compounds offer additional structural features
that can be used for the adjustment of the electrostatic potential values and sensitivity towards
detonation of this class of HEM compounds. By a careful combination of the transition metal atoms
and ligands, it is possible to achieve a fine-tuning of the values of the electrostatic potential on
the surface of the chelate complexes. Here we combined Density Functional Theory calculations
with experimental data to evaluate the high-energy properties of tris(3-nitropentane-2,4-dionato-κ2
O,O′) (nitro-tris(acetylacetonato)) complexes of Cr(III), Mn(III), Fe(III), and Co(III). Analysis of the
Bond Dissociation Energies (BDE) of the C-NO2 bonds and Molecular Electrostatic Potentials (MEP)
showed that these compounds may act as HEM molecules. Analysis of IR spectra and initiation of
the Co(AcAc-NO2)3 complex in the open flame confirmed that these compounds act as high-energy
molecules. The measured heat of combustion for the Co(AcAc-NO2)3 complex was 14,133 J/g, which
confirms the high-energy properties of this compound. The results also indicated that the addition
of chelate rings may be used as a new tool for controlling the sensitivity towards the detonation of
high-energy coordination compounds.
T2  - https://www.mdpi.com/2624-8549/5/3/126
T1  - Tris(3-nitropentane-2,4-dionato-κ2 O,O′) Complexes as a New Type of Highly Energetic Materials: Theoretical and Experimental Considerations
VL  - 5
DO  - https://doi.org/10.3390/chemistry5030126
ER  - 

@article{
author = "Veljković, Dušan and Kretić, Danijela and Veljković, Ivana",
year = "2023-08-18",
abstract = "Decreasing the sensitivity towards detonation of high-energy materials (HEMs) is the
ultimate goal of numerous theoretical and experimental studies. It is known that positive electrostatic
potential above the central areas of the molecular surface is related to high sensitivity towards the
detonation of high-energy molecules. Coordination compounds offer additional structural features
that can be used for the adjustment of the electrostatic potential values and sensitivity towards
detonation of this class of HEM compounds. By a careful combination of the transition metal atoms
and ligands, it is possible to achieve a fine-tuning of the values of the electrostatic potential on
the surface of the chelate complexes. Here we combined Density Functional Theory calculations
with experimental data to evaluate the high-energy properties of tris(3-nitropentane-2,4-dionato-κ2
O,O′) (nitro-tris(acetylacetonato)) complexes of Cr(III), Mn(III), Fe(III), and Co(III). Analysis of the
Bond Dissociation Energies (BDE) of the C-NO2 bonds and Molecular Electrostatic Potentials (MEP)
showed that these compounds may act as HEM molecules. Analysis of IR spectra and initiation of
the Co(AcAc-NO2)3 complex in the open flame confirmed that these compounds act as high-energy
molecules. The measured heat of combustion for the Co(AcAc-NO2)3 complex was 14,133 J/g, which
confirms the high-energy properties of this compound. The results also indicated that the addition
of chelate rings may be used as a new tool for controlling the sensitivity towards the detonation of
high-energy coordination compounds.",
journal = "https://www.mdpi.com/2624-8549/5/3/126",
title = "Tris(3-nitropentane-2,4-dionato-κ2 O,O′) Complexes as a New Type of Highly Energetic Materials: Theoretical and Experimental Considerations",
volume = "5",
doi = "https://doi.org/10.3390/chemistry5030126"
}

Veljković, D., Kretić, D.,& Veljković, I.. (2023-08-18). Tris(3-nitropentane-2,4-dionato-κ2 O,O′) Complexes as a New Type of Highly Energetic Materials: Theoretical and Experimental Considerations. in https://www.mdpi.com/2624-8549/5/3/126, 5.
https://doi.org/https://doi.org/10.3390/chemistry5030126

Veljković D, Kretić D, Veljković I. Tris(3-nitropentane-2,4-dionato-κ2 O,O′) Complexes as a New Type of Highly Energetic Materials: Theoretical and Experimental Considerations. in https://www.mdpi.com/2624-8549/5/3/126. 2023;5.
doi:https://doi.org/10.3390/chemistry5030126 .

Veljković, Dušan, Kretić, Danijela, Veljković, Ivana, "Tris(3-nitropentane-2,4-dionato-κ2 O,O′) Complexes as a New Type of Highly Energetic Materials: Theoretical and Experimental Considerations" in https://www.mdpi.com/2624-8549/5/3/126, 5 (2023-08-18),
https://doi.org/https://doi.org/10.3390/chemistry5030126 . .

TY  - CONF
AU  - Veljković, Dušan Ž.
PY  - 2023-06-14
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6291
AB  - Pyramidane (tetracyclo[2.1.0.01,3.02,5]pentane, C5H4) and its derivates fall into the class of high-energy molecules with nonclasicall cage geometries [1]. Althoug pyrmidane itself has not been synthetized yet, cage molecules with strained triangular rings and an apex carbon atom were synthetized and their structures were determined. This provides an opportunity for the assessment of noncovalent bonding of the apex carbon atom in highly strained systems. Here, we analysed crystal stractures and performed interaction energies calculations to evaluate possibility of the apex carbon atom from pyramidane and pyramidane-like molecules to act as hydrogen atom acceptors in hydrogen bonds. 
Analysis of crystal structures from Cambridge Structural Database (CSD) showed that there are short hydrogen-carbon contacts between apex carbon atom from pyramidane-like structures and hydrogen atoms from X-H fragments. Results of quantum chemical calculations performed on MP2/DEF2-TZVP level showed that pyramidane molecules and its derivatives can form strong hydrogen bonds involving apex carbon atom as hydrogen atom acceptor. Calculated energy of O-H•••C hydrogen bond between  apex carbon atom of tetramethyl derivate of pyramidine and water was ΔE = -6.86 kcal/mol. This is significantly stronger than hydrogen bond between two water molecules (ΔE = 5.02 kcal/mol). Results of this study can by of greate importance for the recognition of nonclasical hydrogen bonds involving highly strained molecules. In addition, results presented here may help in the assessment of high-energy properties of strained cage molecules.
PB  - Serbian Crystallographic Society
C3  - https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf
T1  - STRONG HYDROGEN BONDS INVOLVING CARBON ATOM AS HYDROGEN ATOM ACCEPTOR
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6291
ER  - 

@conference{
author = "Veljković, Dušan Ž.",
year = "2023-06-14",
abstract = "Pyramidane (tetracyclo[2.1.0.01,3.02,5]pentane, C5H4) and its derivates fall into the class of high-energy molecules with nonclasicall cage geometries [1]. Althoug pyrmidane itself has not been synthetized yet, cage molecules with strained triangular rings and an apex carbon atom were synthetized and their structures were determined. This provides an opportunity for the assessment of noncovalent bonding of the apex carbon atom in highly strained systems. Here, we analysed crystal stractures and performed interaction energies calculations to evaluate possibility of the apex carbon atom from pyramidane and pyramidane-like molecules to act as hydrogen atom acceptors in hydrogen bonds. 
Analysis of crystal structures from Cambridge Structural Database (CSD) showed that there are short hydrogen-carbon contacts between apex carbon atom from pyramidane-like structures and hydrogen atoms from X-H fragments. Results of quantum chemical calculations performed on MP2/DEF2-TZVP level showed that pyramidane molecules and its derivatives can form strong hydrogen bonds involving apex carbon atom as hydrogen atom acceptor. Calculated energy of O-H•••C hydrogen bond between  apex carbon atom of tetramethyl derivate of pyramidine and water was ΔE = -6.86 kcal/mol. This is significantly stronger than hydrogen bond between two water molecules (ΔE = 5.02 kcal/mol). Results of this study can by of greate importance for the recognition of nonclasical hydrogen bonds involving highly strained molecules. In addition, results presented here may help in the assessment of high-energy properties of strained cage molecules.",
publisher = "Serbian Crystallographic Society",
journal = "https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf",
title = "STRONG HYDROGEN BONDS INVOLVING CARBON ATOM AS HYDROGEN ATOM ACCEPTOR",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6291"
}

Veljković, D. Ž.. (2023-06-14). STRONG HYDROGEN BONDS INVOLVING CARBON ATOM AS HYDROGEN ATOM ACCEPTOR. in https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf
Serbian Crystallographic Society..
https://hdl.handle.net/21.15107/rcub_cherry_6291

Veljković DŽ. STRONG HYDROGEN BONDS INVOLVING CARBON ATOM AS HYDROGEN ATOM ACCEPTOR. in https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6291 .

Veljković, Dušan Ž., "STRONG HYDROGEN BONDS INVOLVING CARBON ATOM AS HYDROGEN ATOM ACCEPTOR" in https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf (2023-06-14),
https://hdl.handle.net/21.15107/rcub_cherry_6291 .

TY  - CONF
AU  - Veljković, Dušan Ž.
PY  - 2023-06-14
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6292
PB  - Serbian Crystallographic Society
C3  - https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf
T1  - THEORETICAL STUDIES OF Se...Se INTERACTION IN CRYSTAL STRUCTURES
SP  - 55
EP  - 55
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6292
ER  - 

@conference{
author = "Veljković, Dušan Ž.",
year = "2023-06-14",
publisher = "Serbian Crystallographic Society",
journal = "https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf",
title = "THEORETICAL STUDIES OF Se...Se INTERACTION IN CRYSTAL STRUCTURES",
pages = "55-55",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6292"
}

Veljković, D. Ž.. (2023-06-14). THEORETICAL STUDIES OF Se...Se INTERACTION IN CRYSTAL STRUCTURES. in https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf
Serbian Crystallographic Society., 55-55.
https://hdl.handle.net/21.15107/rcub_cherry_6292

Veljković DŽ. THEORETICAL STUDIES OF Se...Se INTERACTION IN CRYSTAL STRUCTURES. in https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf. 2023;:55-55.
https://hdl.handle.net/21.15107/rcub_cherry_6292 .

Veljković, Dušan Ž., "THEORETICAL STUDIES OF Se...Se INTERACTION IN CRYSTAL STRUCTURES" in https://skd.org.rs/wp-content/uploads/2023/06/2023-Izvodi-radova-XXVIII-Konferencija-SKD-Cacak.pdf (2023-06-14):55-55,
https://hdl.handle.net/21.15107/rcub_cherry_6292 .

TY  - JOUR
AU  - Stojsavljević, Aleksandar
AU  - Lakićević, Novak
AU  - Pavlović, Slađan
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6365
AB  - Environmental pollutants, particularly toxic trace metals with neurotoxic potential, have been related to the genesis of autism. One of these metals that stands out, in particular, is lead (Pb). We conducted an in-depth systematic review and meta-analysis of peer-reviewed studies on Pb levels in biological materials retrieved from autistic children (cases) and neurotypical children (controls) in this work. A systematic review was conducted after the careful selection of published studies according to established criteria to gain a broad insight into the higher or lower levels of Pb in the biological materials of cases and controls, and the findings were then strengthened by a meta-analysis. The meta-analysis included 17 studies (hair), 13 studies (whole blood), and 8 studies (urine). The overall number of controls/cases was 869/915 (hair), 670/755 (whole blood), and 344/373 (urine). This meta-analysis showed significantly higher Pb levels in all three types of biological material in cases than in controls, suggesting a higher body Pb burden in autistic children. Thus, environmental Pb exposure could be related to the genesis of autism. Since no level of Pb can be considered safe, the data from this study undoubtedly point to the importance of regularly monitoring Pb levels in autistic children.
PB  - MDPI
T2  - Toxics
T1  - Does Lead Have a Connection to Autism? A Systematic Review and Meta-Analysis
VL  - 11
IS  - 9
SP  - 753
DO  - 10.3390/toxics11090753
ER  - 

@article{
author = "Stojsavljević, Aleksandar and Lakićević, Novak and Pavlović, Slađan",
year = "2023",
abstract = "Environmental pollutants, particularly toxic trace metals with neurotoxic potential, have been related to the genesis of autism. One of these metals that stands out, in particular, is lead (Pb). We conducted an in-depth systematic review and meta-analysis of peer-reviewed studies on Pb levels in biological materials retrieved from autistic children (cases) and neurotypical children (controls) in this work. A systematic review was conducted after the careful selection of published studies according to established criteria to gain a broad insight into the higher or lower levels of Pb in the biological materials of cases and controls, and the findings were then strengthened by a meta-analysis. The meta-analysis included 17 studies (hair), 13 studies (whole blood), and 8 studies (urine). The overall number of controls/cases was 869/915 (hair), 670/755 (whole blood), and 344/373 (urine). This meta-analysis showed significantly higher Pb levels in all three types of biological material in cases than in controls, suggesting a higher body Pb burden in autistic children. Thus, environmental Pb exposure could be related to the genesis of autism. Since no level of Pb can be considered safe, the data from this study undoubtedly point to the importance of regularly monitoring Pb levels in autistic children.",
publisher = "MDPI",
journal = "Toxics",
title = "Does Lead Have a Connection to Autism? A Systematic Review and Meta-Analysis",
volume = "11",
number = "9",
pages = "753",
doi = "10.3390/toxics11090753"
}

Stojsavljević, A., Lakićević, N.,& Pavlović, S.. (2023). Does Lead Have a Connection to Autism? A Systematic Review and Meta-Analysis. in Toxics
MDPI., 11(9), 753.
https://doi.org/10.3390/toxics11090753

Stojsavljević A, Lakićević N, Pavlović S. Does Lead Have a Connection to Autism? A Systematic Review and Meta-Analysis. in Toxics. 2023;11(9):753.
doi:10.3390/toxics11090753 .

Stojsavljević, Aleksandar, Lakićević, Novak, Pavlović, Slađan, "Does Lead Have a Connection to Autism? A Systematic Review and Meta-Analysis" in Toxics, 11, no. 9 (2023):753,
https://doi.org/10.3390/toxics11090753 . .

TY  - JOUR
AU  - Krstić, Đurđa D.
AU  - Ristivojević, Petar
AU  - Gašić, Uroš M.
AU  - Lazović, Mila
AU  - Fotirić-Akšić, Milica M.
AU  - Milivojević, Jasminka
AU  - Morlock, Gertrud E.
AU  - Milojković-Opsenica, Dušanka
AU  - Trifković, Jelena
PY  - 2023
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/5633
AB  - Considering the health-benefits of berry fruits consumption and increased market demands for food authenticity
as one of the most important quality assurances, phenolic profiling by high-performance thin layer chroma-
tography and ultra-high-performance liquid chromatography hyphenated with mass spectrometry was combined
with multivariate analysis for phytochemical characterization and intercultivar discrimination of cultivated
berry seeds. The phenolic profiles of 45 berry seeds from nine genuine Serbian cultivated fruit species (straw-
berry, raspberry, blackberry, black currant, blueberry, gooseberry, cape gooseberry, chokeberry, and goji berry)
revealed a good differentiation according to botanical origin. In order to determine biomarkers responsible for
the classification, a total of 103 phenolic compounds were identified, including 53 phenolic acids and their
derivatives, 26 flavonoids and 24 glycosides. Biomarkers derived from the phenolic profile of berry seeds proved
to be a powerful tool in the authentication of botanical origin, and may be useful in detection of frauds in berry-
based seed-containing product.
PB  - Elsevier
T2  - Food Chemistry
T1  - Authenticity assessment of cultivated berries via phenolic profiles of seeds
VL  - 402
SP  - 134184
DO  - 10.1016/j.foodchem.2022.134184
ER  - 

@article{
author = "Krstić, Đurđa D. and Ristivojević, Petar and Gašić, Uroš M. and Lazović, Mila and Fotirić-Akšić, Milica M. and Milivojević, Jasminka and Morlock, Gertrud E. and Milojković-Opsenica, Dušanka and Trifković, Jelena",
year = "2023",
abstract = "Considering the health-benefits of berry fruits consumption and increased market demands for food authenticity
as one of the most important quality assurances, phenolic profiling by high-performance thin layer chroma-
tography and ultra-high-performance liquid chromatography hyphenated with mass spectrometry was combined
with multivariate analysis for phytochemical characterization and intercultivar discrimination of cultivated
berry seeds. The phenolic profiles of 45 berry seeds from nine genuine Serbian cultivated fruit species (straw-
berry, raspberry, blackberry, black currant, blueberry, gooseberry, cape gooseberry, chokeberry, and goji berry)
revealed a good differentiation according to botanical origin. In order to determine biomarkers responsible for
the classification, a total of 103 phenolic compounds were identified, including 53 phenolic acids and their
derivatives, 26 flavonoids and 24 glycosides. Biomarkers derived from the phenolic profile of berry seeds proved
to be a powerful tool in the authentication of botanical origin, and may be useful in detection of frauds in berry-
based seed-containing product.",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Authenticity assessment of cultivated berries via phenolic profiles of seeds",
volume = "402",
pages = "134184",
doi = "10.1016/j.foodchem.2022.134184"
}

Krstić, Đ. D., Ristivojević, P., Gašić, U. M., Lazović, M., Fotirić-Akšić, M. M., Milivojević, J., Morlock, G. E., Milojković-Opsenica, D.,& Trifković, J.. (2023). Authenticity assessment of cultivated berries via phenolic profiles of seeds. in Food Chemistry
Elsevier., 402, 134184.
https://doi.org/10.1016/j.foodchem.2022.134184

Krstić ĐD, Ristivojević P, Gašić UM, Lazović M, Fotirić-Akšić MM, Milivojević J, Morlock GE, Milojković-Opsenica D, Trifković J. Authenticity assessment of cultivated berries via phenolic profiles of seeds. in Food Chemistry. 2023;402:134184.
doi:10.1016/j.foodchem.2022.134184 .

Krstić, Đurđa D., Ristivojević, Petar, Gašić, Uroš M., Lazović, Mila, Fotirić-Akšić, Milica M., Milivojević, Jasminka, Morlock, Gertrud E., Milojković-Opsenica, Dušanka, Trifković, Jelena, "Authenticity assessment of cultivated berries via phenolic profiles of seeds" in Food Chemistry, 402 (2023):134184,
https://doi.org/10.1016/j.foodchem.2022.134184 . .

TY  - DATA
AU  - Krstić, Đurđa D.
AU  - Ristivojević, Petar
AU  - Gašić, Uroš M.
AU  - Lazović, Mila
AU  - Fotirić-Akšić, Milica M.
AU  - Milivojević, Jasminka
AU  - Morlock, Gertrud E.
AU  - Milojković-Opsenica, Dušanka
AU  - Trifković, Jelena
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5633
AB  - Considering the health-benefits of berry fruits consumption and increased market demands for food authenticityas one of the most important quality assurances, phenolic profiling by high-performance thin layer chroma-tography and ultra-high-performance liquid chromatography hyphenated with mass spectrometry was combinedwith multivariate analysis for phytochemical characterization and intercultivar discrimination of cultivatedberry seeds. The phenolic profiles of 45 berry seeds from nine genuine Serbian cultivated fruit species (straw-berry, raspberry, blackberry, black currant, blueberry, gooseberry, cape gooseberry, chokeberry, and goji berry)revealed a good differentiation according to botanical origin. In order to determine biomarkers responsible forthe classification, a total of 103 phenolic compounds were identified, including 53 phenolic acids and theirderivatives, 26 flavonoids and 24 glycosides. Biomarkers derived from the phenolic profile of berry seeds provedto be a powerful tool in the authentication of botanical origin, and may be useful in detection of frauds in berry-based seed-containing product.
PB  - Elsevier
T2  - Food Chemistry
T1  - Supplementary material for: Krstić, Đ. D., Ristivojević, P. M., Gašić, U. M., Lazović, M., Fotirić Akšić, M. M., Milivojević, J., Morlock, G. E., Milojković-Opsenica, D. M.,& Trifković, J. Đ.. (2023). Authenticity assessment of cultivated berries via phenolic profiles of seeds. in Food Chemistry Elsevier., 402, 134184. https://doi.org/10.1016/j.foodchem.2022.134184
VL  - 402
SP  - 134184
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5633
ER  - 

@misc{
author = "Krstić, Đurđa D. and Ristivojević, Petar and Gašić, Uroš M. and Lazović, Mila and Fotirić-Akšić, Milica M. and Milivojević, Jasminka and Morlock, Gertrud E. and Milojković-Opsenica, Dušanka and Trifković, Jelena",
year = "2023",
abstract = "Considering the health-benefits of berry fruits consumption and increased market demands for food authenticityas one of the most important quality assurances, phenolic profiling by high-performance thin layer chroma-tography and ultra-high-performance liquid chromatography hyphenated with mass spectrometry was combinedwith multivariate analysis for phytochemical characterization and intercultivar discrimination of cultivatedberry seeds. The phenolic profiles of 45 berry seeds from nine genuine Serbian cultivated fruit species (straw-berry, raspberry, blackberry, black currant, blueberry, gooseberry, cape gooseberry, chokeberry, and goji berry)revealed a good differentiation according to botanical origin. In order to determine biomarkers responsible forthe classification, a total of 103 phenolic compounds were identified, including 53 phenolic acids and theirderivatives, 26 flavonoids and 24 glycosides. Biomarkers derived from the phenolic profile of berry seeds provedto be a powerful tool in the authentication of botanical origin, and may be useful in detection of frauds in berry-based seed-containing product.",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Supplementary material for: Krstić, Đ. D., Ristivojević, P. M., Gašić, U. M., Lazović, M., Fotirić Akšić, M. M., Milivojević, J., Morlock, G. E., Milojković-Opsenica, D. M.,& Trifković, J. Đ.. (2023). Authenticity assessment of cultivated berries via phenolic profiles of seeds. in Food Chemistry Elsevier., 402, 134184. https://doi.org/10.1016/j.foodchem.2022.134184",
volume = "402",
pages = "134184",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5633"
}

Krstić, Đ. D., Ristivojević, P., Gašić, U. M., Lazović, M., Fotirić-Akšić, M. M., Milivojević, J., Morlock, G. E., Milojković-Opsenica, D.,& Trifković, J.. (2023). Supplementary material for: Krstić, Đ. D., Ristivojević, P. M., Gašić, U. M., Lazović, M., Fotirić Akšić, M. M., Milivojević, J., Morlock, G. E., Milojković-Opsenica, D. M.,& Trifković, J. Đ.. (2023). Authenticity assessment of cultivated berries via phenolic profiles of seeds. in Food Chemistry Elsevier., 402, 134184. https://doi.org/10.1016/j.foodchem.2022.134184. in Food Chemistry
Elsevier., 402, 134184.
https://hdl.handle.net/21.15107/rcub_cherry_5633

Krstić ĐD, Ristivojević P, Gašić UM, Lazović M, Fotirić-Akšić MM, Milivojević J, Morlock GE, Milojković-Opsenica D, Trifković J. Supplementary material for: Krstić, Đ. D., Ristivojević, P. M., Gašić, U. M., Lazović, M., Fotirić Akšić, M. M., Milivojević, J., Morlock, G. E., Milojković-Opsenica, D. M.,& Trifković, J. Đ.. (2023). Authenticity assessment of cultivated berries via phenolic profiles of seeds. in Food Chemistry Elsevier., 402, 134184. https://doi.org/10.1016/j.foodchem.2022.134184. in Food Chemistry. 2023;402:134184.
https://hdl.handle.net/21.15107/rcub_cherry_5633 .

Krstić, Đurđa D., Ristivojević, Petar, Gašić, Uroš M., Lazović, Mila, Fotirić-Akšić, Milica M., Milivojević, Jasminka, Morlock, Gertrud E., Milojković-Opsenica, Dušanka, Trifković, Jelena, "Supplementary material for: Krstić, Đ. D., Ristivojević, P. M., Gašić, U. M., Lazović, M., Fotirić Akšić, M. M., Milivojević, J., Morlock, G. E., Milojković-Opsenica, D. M.,& Trifković, J. Đ.. (2023). Authenticity assessment of cultivated berries via phenolic profiles of seeds. in Food Chemistry Elsevier., 402, 134184. https://doi.org/10.1016/j.foodchem.2022.134184" in Food Chemistry, 402 (2023):134184,
https://hdl.handle.net/21.15107/rcub_cherry_5633 .

TY  - JOUR
AU  - Ivanović, Stefan
AU  - Gođevac, Dejan
AU  - Ristivojević, Petar
AU  - Zdunić, Gordana
AU  - Stojanović, Danilo
AU  - Šavikin, Katarina
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5794
AB  - IntroductionChokeberry is a plant belonging to the family Rosaceae which has a long history of edible and medicinal use. The aims of this study are: i) to investigate of HPTLC profile of the berry samples using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of investigated chokeberry adulterations iii) to identify the most important botanical markers responsible for classification.MethodsA simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in combination with multivariate techniques for differentiating chokeberry samples and identification of the main metabolites of chokeberry and four common adulterants. Images of HPTLC chromatograms obtained using two different detections i.e. visible light and derivatization with natural products reagent were used as a dataset for multivariate analysis.ResultsPrincipal component analysis and Orthogonal Partial Least Squares Discriminant Analysis confirmed the discrimination of five botanically different samples and recognized their main markers such as responsible for differences between chokeberry and four common adulterants.ConclusionThe obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration.
T2  - Journal of Herbal Medicine
T1  - HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration
VL  - 37
SP  - 100618
DO  - 10.1016/j.hermed.2022.100618
ER  - 

@article{
author = "Ivanović, Stefan and Gođevac, Dejan and Ristivojević, Petar and Zdunić, Gordana and Stojanović, Danilo and Šavikin, Katarina",
year = "2023",
abstract = "IntroductionChokeberry is a plant belonging to the family Rosaceae which has a long history of edible and medicinal use. The aims of this study are: i) to investigate of HPTLC profile of the berry samples using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of investigated chokeberry adulterations iii) to identify the most important botanical markers responsible for classification.MethodsA simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in combination with multivariate techniques for differentiating chokeberry samples and identification of the main metabolites of chokeberry and four common adulterants. Images of HPTLC chromatograms obtained using two different detections i.e. visible light and derivatization with natural products reagent were used as a dataset for multivariate analysis.ResultsPrincipal component analysis and Orthogonal Partial Least Squares Discriminant Analysis confirmed the discrimination of five botanically different samples and recognized their main markers such as responsible for differences between chokeberry and four common adulterants.ConclusionThe obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration.",
journal = "Journal of Herbal Medicine",
title = "HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration",
volume = "37",
pages = "100618",
doi = "10.1016/j.hermed.2022.100618"
}

Ivanović, S., Gođevac, D., Ristivojević, P., Zdunić, G., Stojanović, D.,& Šavikin, K.. (2023). HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration. in Journal of Herbal Medicine, 37, 100618.
https://doi.org/10.1016/j.hermed.2022.100618

Ivanović S, Gođevac D, Ristivojević P, Zdunić G, Stojanović D, Šavikin K. HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration. in Journal of Herbal Medicine. 2023;37:100618.
doi:10.1016/j.hermed.2022.100618 .

Ivanović, Stefan, Gođevac, Dejan, Ristivojević, Petar, Zdunić, Gordana, Stojanović, Danilo, Šavikin, Katarina, "HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration" in Journal of Herbal Medicine, 37 (2023):100618,
https://doi.org/10.1016/j.hermed.2022.100618 . .

TY  - JOUR
AU  - Mosić, Mirjana D.
AU  - Trifković, Jelena
AU  - Ristivojević, Petar
AU  - Milojković-Opsenica, Dušanka
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5876
AB  - The aim of this study is to develop a rapid, effect-directed screening method for quality assessment of bee pollen-honey mixtures. The comparative antioxidant potential and phenolic content of honey, bee pollen, and the bee pollen-honey mixtures, was performed using spectrophotometry. The total phenolic content and antioxidative activity of bee pollen-honey mixtures with 20 % bee pollen share were in the range 3.03–3.11 mg GAE/g, and 6.02–6.96 mmol TE/kg, respectively, while mixtures with 30 % bee pollen share contained 3.92–4.18 mg GAE/g, and 9.69–10.11 mmol TE/kg. Chromatographic fingerprint of bee pollen-honey mixtures was performed by high-performance thin-layer chromatography with conditions developed by authors and reported for the first time. Fingerprint analysis hyphenated with chemometrics enabled authenticity assessments of honey in mixtures. Results indicate that bee pollen-honey mixtures represent a food with highly, both, nutritious characteristics and health-promoting effect.
PB  - Wiley
T2  - Chemistry & Biodiversity
T2  - Chemistry & Biodiversity
T1  - Quality Assessment of Bee Pollen-Honey Mixtures Using Thin-Layer Chromatography in Combination with Chemometrics
VL  - 20
IS  - 3
SP  - e202201141
DO  - 10.1002/cbdv.202201141
ER  - 

@article{
author = "Mosić, Mirjana D. and Trifković, Jelena and Ristivojević, Petar and Milojković-Opsenica, Dušanka",
year = "2023",
abstract = "The aim of this study is to develop a rapid, effect-directed screening method for quality assessment of bee pollen-honey mixtures. The comparative antioxidant potential and phenolic content of honey, bee pollen, and the bee pollen-honey mixtures, was performed using spectrophotometry. The total phenolic content and antioxidative activity of bee pollen-honey mixtures with 20 % bee pollen share were in the range 3.03–3.11 mg GAE/g, and 6.02–6.96 mmol TE/kg, respectively, while mixtures with 30 % bee pollen share contained 3.92–4.18 mg GAE/g, and 9.69–10.11 mmol TE/kg. Chromatographic fingerprint of bee pollen-honey mixtures was performed by high-performance thin-layer chromatography with conditions developed by authors and reported for the first time. Fingerprint analysis hyphenated with chemometrics enabled authenticity assessments of honey in mixtures. Results indicate that bee pollen-honey mixtures represent a food with highly, both, nutritious characteristics and health-promoting effect.",
publisher = "Wiley",
journal = "Chemistry & Biodiversity, Chemistry & Biodiversity",
title = "Quality Assessment of Bee Pollen-Honey Mixtures Using Thin-Layer Chromatography in Combination with Chemometrics",
volume = "20",
number = "3",
pages = "e202201141",
doi = "10.1002/cbdv.202201141"
}

Mosić, M. D., Trifković, J., Ristivojević, P.,& Milojković-Opsenica, D.. (2023). Quality Assessment of Bee Pollen-Honey Mixtures Using Thin-Layer Chromatography in Combination with Chemometrics. in Chemistry & Biodiversity
Wiley., 20(3), e202201141.
https://doi.org/10.1002/cbdv.202201141

Mosić MD, Trifković J, Ristivojević P, Milojković-Opsenica D. Quality Assessment of Bee Pollen-Honey Mixtures Using Thin-Layer Chromatography in Combination with Chemometrics. in Chemistry & Biodiversity. 2023;20(3):e202201141.
doi:10.1002/cbdv.202201141 .

Mosić, Mirjana D., Trifković, Jelena, Ristivojević, Petar, Milojković-Opsenica, Dušanka, "Quality Assessment of Bee Pollen-Honey Mixtures Using Thin-Layer Chromatography in Combination with Chemometrics" in Chemistry & Biodiversity, 20, no. 3 (2023):e202201141,
https://doi.org/10.1002/cbdv.202201141 . .

TY  - JOUR
AU  - Ristivojević, Petar
AU  - Nešić, Jelena
AU  - Andrić, Filip
AU  - Nedić, Nebojša
AU  - Stanisavljević, Ljubiša
AU  - Milojković-Opsenica, Dušanka
AU  - Trifković, Jelena
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5895
AB  - Propolis is a resinous natural substance collected by honeybees from different plant sources. The element content of propolis is influenced by the content of elements in the soil, climatic factors, and the degree of pollution. The aim of the study was to characterize element composition and content of toxic elements in 51 propolis collected from different locations in Serbia and to evaluate the differences among them. Determination of the 21 elements were performed using Inductively coupled plasma - optical emission spectrometry. K was the most abundant element, followed by Ca, Mg, Si, Fe, Zn, and Al. The microelements B, Ba, Mn, Na, Pb, and Ti were also present in propolis, while Co, Cr, Cu, Mo, Ni, Sr, and V were found in trace. Toxic elements such as Pb, As, and Cd were found in the trace. Kruskal-Wallis tests differentiate groups of samples by geographical origin. The presence of B, Fe, Sr, Ti, Zn, and As demonstrated statistical significance between six regions of Serbia.
PB  - Wiley
T2  - Chemistry & Biodiversity
T2  - Chemistry & Biodiversity
T1  - Elemental Profile of Propolis from Different Areas of Serbia
VL  - 20
IS  - 3
SP  - e202201140
DO  - 10.1002/cbdv.202201140
ER  - 

@article{
author = "Ristivojević, Petar and Nešić, Jelena and Andrić, Filip and Nedić, Nebojša and Stanisavljević, Ljubiša and Milojković-Opsenica, Dušanka and Trifković, Jelena",
year = "2023",
abstract = "Propolis is a resinous natural substance collected by honeybees from different plant sources. The element content of propolis is influenced by the content of elements in the soil, climatic factors, and the degree of pollution. The aim of the study was to characterize element composition and content of toxic elements in 51 propolis collected from different locations in Serbia and to evaluate the differences among them. Determination of the 21 elements were performed using Inductively coupled plasma - optical emission spectrometry. K was the most abundant element, followed by Ca, Mg, Si, Fe, Zn, and Al. The microelements B, Ba, Mn, Na, Pb, and Ti were also present in propolis, while Co, Cr, Cu, Mo, Ni, Sr, and V were found in trace. Toxic elements such as Pb, As, and Cd were found in the trace. Kruskal-Wallis tests differentiate groups of samples by geographical origin. The presence of B, Fe, Sr, Ti, Zn, and As demonstrated statistical significance between six regions of Serbia.",
publisher = "Wiley",
journal = "Chemistry & Biodiversity, Chemistry & Biodiversity",
title = "Elemental Profile of Propolis from Different Areas of Serbia",
volume = "20",
number = "3",
pages = "e202201140",
doi = "10.1002/cbdv.202201140"
}

Ristivojević, P., Nešić, J., Andrić, F., Nedić, N., Stanisavljević, L., Milojković-Opsenica, D.,& Trifković, J.. (2023). Elemental Profile of Propolis from Different Areas of Serbia. in Chemistry & Biodiversity
Wiley., 20(3), e202201140.
https://doi.org/10.1002/cbdv.202201140

Ristivojević P, Nešić J, Andrić F, Nedić N, Stanisavljević L, Milojković-Opsenica D, Trifković J. Elemental Profile of Propolis from Different Areas of Serbia. in Chemistry & Biodiversity. 2023;20(3):e202201140.
doi:10.1002/cbdv.202201140 .

Ristivojević, Petar, Nešić, Jelena, Andrić, Filip, Nedić, Nebojša, Stanisavljević, Ljubiša, Milojković-Opsenica, Dušanka, Trifković, Jelena, "Elemental Profile of Propolis from Different Areas of Serbia" in Chemistry & Biodiversity, 20, no. 3 (2023):e202201140,
https://doi.org/10.1002/cbdv.202201140 . .

TY  - THES
AU  - Sekulić, Tijana
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5906
AB  - Starenje je prirodan biološki proces u živom svetu i nije ga moguće zaustaviti. Starenje čoveka 
je praćeno promenama na koži u vidu nastajanja bora, staračkih pega i gubitka elastičnosti i volumena. 
Koža stari usled kombinacije različitih fakora, kako unutrašnjih tako i spoljašnjih. Razumevanje ovih 
uzroka pomaže nam da pokušamo da ublažimo znake, usporimo ili sprečimo prevremeno starenje. 
Na molekulskom nivou, starenje je kombinacija dva faktora: prekomerna aktivnost odredjenih enzima 
u koži, kao što je tirozinaza, kolagenaza i elastaza i uticaj slobodnih radikala. Prethodno navedeno 
nam ukazuje da je neophodno identifikovati visoko potentne inhibitore enzima relevantnih za proces 
starenja i pronaći moćne antioksidante koji bi redukovali slobodne radikale. Ova saznanja su od 
posebnog značaja za kozmetičku industriju gde se inhibitori enzima mogu koristiti kao sirovine za 
proizvodnju krema za lice. Poznato je da su biljke odličan prirodni izvor biološki aktivnih supstanci 
koje ispoljavaju širok spektar bioloških svojstava. U literaturi nema dostupnih podataka o potencijalu 
srpskih biljka u usporavanju procesa starenja kože.
T1  - Ispitivanje potencijala srpskih biljaka u usporavanju procesa  starenja kože
SP  - 1
EP  - 19
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5906
ER  - 

@mastersthesis{
author = "Sekulić, Tijana",
year = "2023",
abstract = "Starenje je prirodan biološki proces u živom svetu i nije ga moguće zaustaviti. Starenje čoveka 
je praćeno promenama na koži u vidu nastajanja bora, staračkih pega i gubitka elastičnosti i volumena. 
Koža stari usled kombinacije različitih fakora, kako unutrašnjih tako i spoljašnjih. Razumevanje ovih 
uzroka pomaže nam da pokušamo da ublažimo znake, usporimo ili sprečimo prevremeno starenje. 
Na molekulskom nivou, starenje je kombinacija dva faktora: prekomerna aktivnost odredjenih enzima 
u koži, kao što je tirozinaza, kolagenaza i elastaza i uticaj slobodnih radikala. Prethodno navedeno 
nam ukazuje da je neophodno identifikovati visoko potentne inhibitore enzima relevantnih za proces 
starenja i pronaći moćne antioksidante koji bi redukovali slobodne radikale. Ova saznanja su od 
posebnog značaja za kozmetičku industriju gde se inhibitori enzima mogu koristiti kao sirovine za 
proizvodnju krema za lice. Poznato je da su biljke odličan prirodni izvor biološki aktivnih supstanci 
koje ispoljavaju širok spektar bioloških svojstava. U literaturi nema dostupnih podataka o potencijalu 
srpskih biljka u usporavanju procesa starenja kože.",
title = "Ispitivanje potencijala srpskih biljaka u usporavanju procesa  starenja kože",
pages = "1-19",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5906"
}

Sekulić, T.. (2023). Ispitivanje potencijala srpskih biljaka u usporavanju procesa  starenja kože. , 1-19.
https://hdl.handle.net/21.15107/rcub_cherry_5906

Sekulić T. Ispitivanje potencijala srpskih biljaka u usporavanju procesa  starenja kože. 2023;:1-19.
https://hdl.handle.net/21.15107/rcub_cherry_5906 .

Sekulić, Tijana, "Ispitivanje potencijala srpskih biljaka u usporavanju procesa  starenja kože" (2023):1-19,
https://hdl.handle.net/21.15107/rcub_cherry_5906 .

TY  - THES
AU  - Milanović, Mateja
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6086
AB  - Morski sunđeri zbog uslova u kojima žive i izloženosti opasnosti od drugih morskih organizama i mikroorganizama, razvili su širok spektar sekundarnih metabolita predstavljaju mehanizam zaštite. Istraživanjem sekundarnih metabolita morskih sunđera, pronađena su mnoga jedinjenja koja su našla primenu u farmaceutskoj industriji. Zbog niza prednosti konvencionalnih kolonskih tehnika, tankoslojna hromatografija (Thin-Layer chromatography, TLC) za razdvajanje i sekundarnih metabolita. TLC je brža, jeftinija, lakša za rukovanje i ekološki prihvatljivija metoda. Ukoliko se za derivatizaciju TLC hromatograma koriste biološki eseji, kao što su antimikrobni i antioksidativni, moguća je provera biološke aktivnosti jedinjenja od značaja. Cilj ovog rada je utvrđivanje postojanja biološki aktivnih jedinjenja u ekstraktima morskih sunđera primenom HPTLC-a, bioautografije i enzimskog eseja inhibicije tirozinazom.
T1  - Ispitivanje hemijskog profila i biološke aktivnosti jedinjenja iz morskih sunđera
SP  - 1
EP  - 25
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6086
ER  - 

@misc{
author = "Milanović, Mateja",
year = "2023",
abstract = "Morski sunđeri zbog uslova u kojima žive i izloženosti opasnosti od drugih morskih organizama i mikroorganizama, razvili su širok spektar sekundarnih metabolita predstavljaju mehanizam zaštite. Istraživanjem sekundarnih metabolita morskih sunđera, pronađena su mnoga jedinjenja koja su našla primenu u farmaceutskoj industriji. Zbog niza prednosti konvencionalnih kolonskih tehnika, tankoslojna hromatografija (Thin-Layer chromatography, TLC) za razdvajanje i sekundarnih metabolita. TLC je brža, jeftinija, lakša za rukovanje i ekološki prihvatljivija metoda. Ukoliko se za derivatizaciju TLC hromatograma koriste biološki eseji, kao što su antimikrobni i antioksidativni, moguća je provera biološke aktivnosti jedinjenja od značaja. Cilj ovog rada je utvrđivanje postojanja biološki aktivnih jedinjenja u ekstraktima morskih sunđera primenom HPTLC-a, bioautografije i enzimskog eseja inhibicije tirozinazom.",
title = "Ispitivanje hemijskog profila i biološke aktivnosti jedinjenja iz morskih sunđera",
pages = "1-25",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6086"
}

Milanović, M.. (2023). Ispitivanje hemijskog profila i biološke aktivnosti jedinjenja iz morskih sunđera. , 1-25.
https://hdl.handle.net/21.15107/rcub_cherry_6086

Milanović M. Ispitivanje hemijskog profila i biološke aktivnosti jedinjenja iz morskih sunđera. 2023;:1-25.
https://hdl.handle.net/21.15107/rcub_cherry_6086 .

Milanović, Mateja, "Ispitivanje hemijskog profila i biološke aktivnosti jedinjenja iz morskih sunđera" (2023):1-25,
https://hdl.handle.net/21.15107/rcub_cherry_6086 .

TY  - THES
AU  - Todorović, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6101
AB  - Poslednjih godina, kozmetička industrija doživljava značajan rast i bilježi sve veći broj potrošača. Zbog prirodnih sastojaka, bezbjednosti i efikasnosti, sve istaknutiji trend je dizajn prirodnih funkcionalnih sastojaka kozmetičkih proizvoda koji ispoljavaju efekat usporavanja starenja kože. U posljednje vrijeme, nova generacija rastvarača kao što su prirodne eutektičke smješe (Natural Deep Eutectic Sovelnts, NADES) se pojavila kao obećavajuća, ekološki prihvatljiva alternativa konvecionalnim rastvaračima koji se koriste za ekstrakciju sekundarnih metabolita iz biljnog materijala. Kako potražnja za održivom i zelenom kozmetikom raste, NADES rastvarači su obećavajući sastojak inovativnih formulacija sa jedinstvenim fitohemijskim sastavom i biološkim aktivnostima. Međutim, iako je značajan broj NADES-a opisan u literaturi, samo mali broj je našao primjenu u kozmetičkoj industriji zbog sigurnosnih ili regulatornih normi. U okviru ovog rada, korištena je smješa biljaka: ((petrovac, glog, bijeli dud, bokvica i rtanjski čaj) koje su se pokazale kao najaktivniji inhibitori enzima tirozinaze i elastaze, i ekstrakti sa najsnažnijim antioksidativnim potencijalom, na osnovu studije izvedene u našoj laboratoriji. Cilj ovog rada je optimizacija ekstrakcije biološki aktivnih jedinjenja primjenom NADES rastvarača koji pokazuju dobra esktrakciona svojstva u odnosu na MeOH kao najčešće korišteno ekstrakciono sredstvo. Optimizovani postupak zelene ekstrakcije bi značajno smanjio primjenu organskih rastvarača u kozmetičkoj industriji, a istovremeno time doveo do razvoja zelene organske kozmetike.
T1  - Ekstrakcija biološki aktivnih jedinjenja iz medicinskog bilja prirodnim eutektičkim smješama primjenljivim u kozmetičkoj industriji
SP  - 2
EP  - 36
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6101
ER  - 

@misc{
author = "Todorović, Petar",
year = "2023",
abstract = "Poslednjih godina, kozmetička industrija doživljava značajan rast i bilježi sve veći broj potrošača. Zbog prirodnih sastojaka, bezbjednosti i efikasnosti, sve istaknutiji trend je dizajn prirodnih funkcionalnih sastojaka kozmetičkih proizvoda koji ispoljavaju efekat usporavanja starenja kože. U posljednje vrijeme, nova generacija rastvarača kao što su prirodne eutektičke smješe (Natural Deep Eutectic Sovelnts, NADES) se pojavila kao obećavajuća, ekološki prihvatljiva alternativa konvecionalnim rastvaračima koji se koriste za ekstrakciju sekundarnih metabolita iz biljnog materijala. Kako potražnja za održivom i zelenom kozmetikom raste, NADES rastvarači su obećavajući sastojak inovativnih formulacija sa jedinstvenim fitohemijskim sastavom i biološkim aktivnostima. Međutim, iako je značajan broj NADES-a opisan u literaturi, samo mali broj je našao primjenu u kozmetičkoj industriji zbog sigurnosnih ili regulatornih normi. U okviru ovog rada, korištena je smješa biljaka: ((petrovac, glog, bijeli dud, bokvica i rtanjski čaj) koje su se pokazale kao najaktivniji inhibitori enzima tirozinaze i elastaze, i ekstrakti sa najsnažnijim antioksidativnim potencijalom, na osnovu studije izvedene u našoj laboratoriji. Cilj ovog rada je optimizacija ekstrakcije biološki aktivnih jedinjenja primjenom NADES rastvarača koji pokazuju dobra esktrakciona svojstva u odnosu na MeOH kao najčešće korišteno ekstrakciono sredstvo. Optimizovani postupak zelene ekstrakcije bi značajno smanjio primjenu organskih rastvarača u kozmetičkoj industriji, a istovremeno time doveo do razvoja zelene organske kozmetike.",
title = "Ekstrakcija biološki aktivnih jedinjenja iz medicinskog bilja prirodnim eutektičkim smješama primjenljivim u kozmetičkoj industriji",
pages = "2-36",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6101"
}

Todorović, P.. (2023). Ekstrakcija biološki aktivnih jedinjenja iz medicinskog bilja prirodnim eutektičkim smješama primjenljivim u kozmetičkoj industriji. , 2-36.
https://hdl.handle.net/21.15107/rcub_cherry_6101

Todorović P. Ekstrakcija biološki aktivnih jedinjenja iz medicinskog bilja prirodnim eutektičkim smješama primjenljivim u kozmetičkoj industriji. 2023;:2-36.
https://hdl.handle.net/21.15107/rcub_cherry_6101 .

Todorović, Petar, "Ekstrakcija biološki aktivnih jedinjenja iz medicinskog bilja prirodnim eutektičkim smješama primjenljivim u kozmetičkoj industriji" (2023):2-36,
https://hdl.handle.net/21.15107/rcub_cherry_6101 .

TY  - THES
AU  - Večerina, Suzana
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6103
AB  - Biljni svet, posebno voće i povrće, predstavlja neiscrpan izvor biološki aktivnih jedinjenja koja ispoljavaju različita biološka svojstva kao što su antioksidativno i antimikrobno. U okviru ovog rada ispitana je antioksidativna i antibakterijska aktivnost 22 zelena ekstrakta kore cvekle primenom prirodnih eutektičkih smeša (Natural Deep Eutectic Solvents). Efikasnost ekstrakcije biljnih metabolita iz osušenog biljnog materijala primenom NADES rastvarača je poreĎena sa ekstrakcijom etanolom i 1 % limunskom kiselinom korišćenjem DPPH testa, kao i testova za odreĎivanje ukupnog sadržaja flavonoida i fenolnih jedinjenja. Na osnovu dobijenih rezultata zaključeno je da ekstrakt dobijen upotrebom NADES rastvarača izgraĎen od askorbinske kiseline : uree : glicerola : vode 1 : 1 : 1 : 5 predstavlja bogat izvor biološki aktivnih jedinjenja i poseduje izražen antioksidativni potencijal. Antibakterijska aktivnost je praćena na sojevima bakterija Salmonella typhimurium i Lysteria monocytogenes, pomoću agar difuzione metode. Kao najaktivniji pokazao se ekstrakt cvekle i NADES-a izgraĎenog od betaina : limunske kiseline : vode 1: 1: 5, a sveobuhvatni rezultati antibakterijskog testa pokazuju da su NADES smeše pogodnija ekstrakciona sredstva od etanola i 1% limunske kiseline.
T1  - Optimizacija ekstrakcije sekundarnih metabolita iz biomase kore cvekle pomoću različitih NADES rastvarača
SP  - 1
EP  - 29
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6103
ER  - 

@misc{
author = "Večerina, Suzana",
year = "2023",
abstract = "Biljni svet, posebno voće i povrće, predstavlja neiscrpan izvor biološki aktivnih jedinjenja koja ispoljavaju različita biološka svojstva kao što su antioksidativno i antimikrobno. U okviru ovog rada ispitana je antioksidativna i antibakterijska aktivnost 22 zelena ekstrakta kore cvekle primenom prirodnih eutektičkih smeša (Natural Deep Eutectic Solvents). Efikasnost ekstrakcije biljnih metabolita iz osušenog biljnog materijala primenom NADES rastvarača je poreĎena sa ekstrakcijom etanolom i 1 % limunskom kiselinom korišćenjem DPPH testa, kao i testova za odreĎivanje ukupnog sadržaja flavonoida i fenolnih jedinjenja. Na osnovu dobijenih rezultata zaključeno je da ekstrakt dobijen upotrebom NADES rastvarača izgraĎen od askorbinske kiseline : uree : glicerola : vode 1 : 1 : 1 : 5 predstavlja bogat izvor biološki aktivnih jedinjenja i poseduje izražen antioksidativni potencijal. Antibakterijska aktivnost je praćena na sojevima bakterija Salmonella typhimurium i Lysteria monocytogenes, pomoću agar difuzione metode. Kao najaktivniji pokazao se ekstrakt cvekle i NADES-a izgraĎenog od betaina : limunske kiseline : vode 1: 1: 5, a sveobuhvatni rezultati antibakterijskog testa pokazuju da su NADES smeše pogodnija ekstrakciona sredstva od etanola i 1% limunske kiseline.",
title = "Optimizacija ekstrakcije sekundarnih metabolita iz biomase kore cvekle pomoću različitih NADES rastvarača",
pages = "1-29",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6103"
}

Večerina, S.. (2023). Optimizacija ekstrakcije sekundarnih metabolita iz biomase kore cvekle pomoću različitih NADES rastvarača. , 1-29.
https://hdl.handle.net/21.15107/rcub_cherry_6103

Večerina S. Optimizacija ekstrakcije sekundarnih metabolita iz biomase kore cvekle pomoću različitih NADES rastvarača. 2023;:1-29.
https://hdl.handle.net/21.15107/rcub_cherry_6103 .

Večerina, Suzana, "Optimizacija ekstrakcije sekundarnih metabolita iz biomase kore cvekle pomoću različitih NADES rastvarača" (2023):1-29,
https://hdl.handle.net/21.15107/rcub_cherry_6103 .

TY  - JOUR
AU  - Jankov, Milica
AU  - Ristivojević, Petar
AU  - Cvijetić, Ilija
AU  - Milojković-Opsenica, Dušanka
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6232
AB  - High-Performance Thin-Layer Chromatography (HPTLC)-radical scavenging capacity (RSC) assays are stan- dard techniques for the separation and identification of antioxidants from complex mixtures. HPTLC coupled with DPPH · visualization of chromatograms allows for the detection of individual antioxidants. However, other HPTLC-RSC assays that recognize compounds exhibiting different mechanisms of radical- scavenging activity are rarely reported. In this study, we developed an integrated approach that combines five HPTLC-RSC assays, principal component analysis (PCA) and quantum chemical calculations to assess the antioxidant capacity of Sempervivum tectorum L. leaf extracts. Two HPTLC assays - potassium hexa- cyanoferrate(III) total reducing power assay (TRP) and total antioxidant capacity by phosphomolybdenum method (TAC) - were developed for the first time. The method supports a more in-depth study of the RSC of natural products, as it compares the radical scavenging fingerprints of S. tectorum leaf extracts and recognizes differences in their individual bioactive constituents. Kaempferol, kaempferol 3- O -glucoside, quercetin 3- O -glucoside, caffeic acid, and gallic acid were identified as the compounds that discriminate HPTLC-RSC assays according to their mechanism of action and capture the similarities between 20 S. tec- torum samples. Additionally, DFT calculations on M06–2X/6–31 + G (d,p) level were applied to map ther- modynamic feasibility of hydrogen atom transfer (HAT) and single electron transfer (SET) mechanisms of the identified compounds. Based on experimental and theoretical results, a combination of HPTLC-ABTS and HPTLC-TAC assays were proposed as the optimal method for mapping the antioxidants from S. tec- torum . This study represents a step forward in identifying and quantifying individual antioxidants from complex food and natural product matrices in a more rational manner.
PB  - Elsevier
T2  - Journal of Chromatography A
T1  - Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach
VL  - 1703
SP  - 464082
DO  - 10.1016/j.chroma.2023.464082
ER  - 

@article{
author = "Jankov, Milica and Ristivojević, Petar and Cvijetić, Ilija and Milojković-Opsenica, Dušanka",
year = "2023",
abstract = "High-Performance Thin-Layer Chromatography (HPTLC)-radical scavenging capacity (RSC) assays are stan- dard techniques for the separation and identification of antioxidants from complex mixtures. HPTLC coupled with DPPH · visualization of chromatograms allows for the detection of individual antioxidants. However, other HPTLC-RSC assays that recognize compounds exhibiting different mechanisms of radical- scavenging activity are rarely reported. In this study, we developed an integrated approach that combines five HPTLC-RSC assays, principal component analysis (PCA) and quantum chemical calculations to assess the antioxidant capacity of Sempervivum tectorum L. leaf extracts. Two HPTLC assays - potassium hexa- cyanoferrate(III) total reducing power assay (TRP) and total antioxidant capacity by phosphomolybdenum method (TAC) - were developed for the first time. The method supports a more in-depth study of the RSC of natural products, as it compares the radical scavenging fingerprints of S. tectorum leaf extracts and recognizes differences in their individual bioactive constituents. Kaempferol, kaempferol 3- O -glucoside, quercetin 3- O -glucoside, caffeic acid, and gallic acid were identified as the compounds that discriminate HPTLC-RSC assays according to their mechanism of action and capture the similarities between 20 S. tec- torum samples. Additionally, DFT calculations on M06–2X/6–31 + G (d,p) level were applied to map ther- modynamic feasibility of hydrogen atom transfer (HAT) and single electron transfer (SET) mechanisms of the identified compounds. Based on experimental and theoretical results, a combination of HPTLC-ABTS and HPTLC-TAC assays were proposed as the optimal method for mapping the antioxidants from S. tec- torum . This study represents a step forward in identifying and quantifying individual antioxidants from complex food and natural product matrices in a more rational manner.",
publisher = "Elsevier",
journal = "Journal of Chromatography A",
title = "Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach",
volume = "1703",
pages = "464082",
doi = "10.1016/j.chroma.2023.464082"
}

Jankov, M., Ristivojević, P., Cvijetić, I.,& Milojković-Opsenica, D.. (2023). Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach. in Journal of Chromatography A
Elsevier., 1703, 464082.
https://doi.org/10.1016/j.chroma.2023.464082

Jankov M, Ristivojević P, Cvijetić I, Milojković-Opsenica D. Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach. in Journal of Chromatography A. 2023;1703:464082.
doi:10.1016/j.chroma.2023.464082 .

Jankov, Milica, Ristivojević, Petar, Cvijetić, Ilija, Milojković-Opsenica, Dušanka, "Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach" in Journal of Chromatography A, 1703 (2023):464082,
https://doi.org/10.1016/j.chroma.2023.464082 . .

TY  - CONF
AU  - Jankov, Milica
AU  - Milojković-Opsenica, Dušanka
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6209
AB  - Sempervivum tectorum L. is a perennial plant with succulent leaves arranged in a rosette. Despite its wide use in traditional medicine for the treatment of various changes on the skin, nervousness, anxiety, menstrual ailments, etc., it still does not have a biography in the European Pharmacopoeia¹. The antibacterial effect of juice squeezed from the leaves and tea made from dried leaves was tested against bacteria that cause inflammation of the ear and bladder². Direct bioautography on HPTLC plates for the investigation of antibacterial activity of the houseleek leaves extracts was done for the first time. Four HPTLC bioassays were developed for gram-positive bacteria (B. subtilis, M. lysodeikticus, MRSA, and S. aureus), and two for gramnegative bacteria (E. coli and K. pneumoniae). Antibacterial activity of grampositive bacteria comes from active compounds at RF 0.57 and 0.92. HPTLC bioassays show higher sensitivity for gram-negative bacteria, as numerous active bands were observed at RF 0.03, 0.38, 0.42, 0.56, 0.57, 0.86 and 0.92. By applying chemometrics and principal components analysis, the HPTLC bioassays of grampositive bacteria were separated into two groups on the scores plot graphic along PC1 axis. The bioassays for B. subtilis and M. lysodeikticus form a less uniform group in the upper left quadrant, while the bioassays for MRSA and S. aureus form a homogeneous group in the lower right quadrant. Presence or absence of the active bands at RF 0.57 and 0.92 affect these separations. The bioassays for the two gramnegative bacteria are separated along both axes on the scores plot graphic from each other but also from the other bioassays for the gram-positive bacteria. This separation is influenced by the presence of numerous active bands. For further investigation it is necessary to identify compounds responsible for the antibacterial activity of the houseleek leaves extracts.
C3  - 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science
T1  - Assessment of antibacterial activity of Sempervivum tectorum L. leaves extracts using HPTLC bioassays and chemometrics
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6209
ER  - 

@conference{
author = "Jankov, Milica and Milojković-Opsenica, Dušanka and Ristivojević, Petar",
year = "2023",
abstract = "Sempervivum tectorum L. is a perennial plant with succulent leaves arranged in a rosette. Despite its wide use in traditional medicine for the treatment of various changes on the skin, nervousness, anxiety, menstrual ailments, etc., it still does not have a biography in the European Pharmacopoeia¹. The antibacterial effect of juice squeezed from the leaves and tea made from dried leaves was tested against bacteria that cause inflammation of the ear and bladder². Direct bioautography on HPTLC plates for the investigation of antibacterial activity of the houseleek leaves extracts was done for the first time. Four HPTLC bioassays were developed for gram-positive bacteria (B. subtilis, M. lysodeikticus, MRSA, and S. aureus), and two for gramnegative bacteria (E. coli and K. pneumoniae). Antibacterial activity of grampositive bacteria comes from active compounds at RF 0.57 and 0.92. HPTLC bioassays show higher sensitivity for gram-negative bacteria, as numerous active bands were observed at RF 0.03, 0.38, 0.42, 0.56, 0.57, 0.86 and 0.92. By applying chemometrics and principal components analysis, the HPTLC bioassays of grampositive bacteria were separated into two groups on the scores plot graphic along PC1 axis. The bioassays for B. subtilis and M. lysodeikticus form a less uniform group in the upper left quadrant, while the bioassays for MRSA and S. aureus form a homogeneous group in the lower right quadrant. Presence or absence of the active bands at RF 0.57 and 0.92 affect these separations. The bioassays for the two gramnegative bacteria are separated along both axes on the scores plot graphic from each other but also from the other bioassays for the gram-positive bacteria. This separation is influenced by the presence of numerous active bands. For further investigation it is necessary to identify compounds responsible for the antibacterial activity of the houseleek leaves extracts.",
journal = "9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science",
title = "Assessment of antibacterial activity of Sempervivum tectorum L. leaves extracts using HPTLC bioassays and chemometrics",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6209"
}

Jankov, M., Milojković-Opsenica, D.,& Ristivojević, P.. (2023). Assessment of antibacterial activity of Sempervivum tectorum L. leaves extracts using HPTLC bioassays and chemometrics. in 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science.
https://hdl.handle.net/21.15107/rcub_cherry_6209

Jankov M, Milojković-Opsenica D, Ristivojević P. Assessment of antibacterial activity of Sempervivum tectorum L. leaves extracts using HPTLC bioassays and chemometrics. in 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6209 .

Jankov, Milica, Milojković-Opsenica, Dušanka, Ristivojević, Petar, "Assessment of antibacterial activity of Sempervivum tectorum L. leaves extracts using HPTLC bioassays and chemometrics" in 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6209 .

TY  - JOUR
AU  - Lazović, Mila
AU  - Cvijetić, Ilija
AU  - Jankov, Milica
AU  - Milojković-Opsenica, Dušanka
AU  - Trifković, Jelena
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6230
AB  - Natural Eutectic Solvents (NES) are a promising class of environmentally friendly liquids that offer an alternative to conventional organic solvents. To investigate their potential for extracting phenolic compounds from plant materials, we employed the COSMO-RS (COnductor like Screening MOdel for Real Solvents) computational method. Nineteen NES solvents were prepared to determine the most selective and effective solvent for extracting phenolic compounds from Teucrium chamaedrys using both theoretical and experimental evaluation. Screening of extraction efficiency was performed by quantification of individual compounds using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer (UHPLC-DAD-MS/MS), as well as spectrophotometric assays (total phenolic content, total flavonoid content, and radical scavenging activity). In this paper, we propose a new approach to model NES properties using COSMO-RS. While the majority of previous studies have modeled these solvents as individual or pseudo-component complexes between hydrogen bond donor (HBD) and hydrogen bond acceptor (HBA), we have developed a ternary HBD:HBA:water supramolecular complex model to represent NES solution structures more accurately. This model provides insights into the intermolecular interactions driving the extraction process and predicts extraction efficiencies that agree with experimental data. Two eutectic mixtures (choline chloride:succinic acid in molar ratio 1:1 and 20% of water (w/w) and choline chloride: glycerol in molar ratio 1:1 and 20% of water (w/w)) showed strong affinity towards phenolic compounds. Overall, our findings suggest that the ternary complex model is a more appropriate approach for modeling NES properties.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys
VL  - 387
SP  - 122649
DO  - 10.1016/j.molliq.2023.122649
ER  - 

@article{
author = "Lazović, Mila and Cvijetić, Ilija and Jankov, Milica and Milojković-Opsenica, Dušanka and Trifković, Jelena and Ristivojević, Petar",
year = "2023",
abstract = "Natural Eutectic Solvents (NES) are a promising class of environmentally friendly liquids that offer an alternative to conventional organic solvents. To investigate their potential for extracting phenolic compounds from plant materials, we employed the COSMO-RS (COnductor like Screening MOdel for Real Solvents) computational method. Nineteen NES solvents were prepared to determine the most selective and effective solvent for extracting phenolic compounds from Teucrium chamaedrys using both theoretical and experimental evaluation. Screening of extraction efficiency was performed by quantification of individual compounds using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer (UHPLC-DAD-MS/MS), as well as spectrophotometric assays (total phenolic content, total flavonoid content, and radical scavenging activity). In this paper, we propose a new approach to model NES properties using COSMO-RS. While the majority of previous studies have modeled these solvents as individual or pseudo-component complexes between hydrogen bond donor (HBD) and hydrogen bond acceptor (HBA), we have developed a ternary HBD:HBA:water supramolecular complex model to represent NES solution structures more accurately. This model provides insights into the intermolecular interactions driving the extraction process and predicts extraction efficiencies that agree with experimental data. Two eutectic mixtures (choline chloride:succinic acid in molar ratio 1:1 and 20% of water (w/w) and choline chloride: glycerol in molar ratio 1:1 and 20% of water (w/w)) showed strong affinity towards phenolic compounds. Overall, our findings suggest that the ternary complex model is a more appropriate approach for modeling NES properties.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys",
volume = "387",
pages = "122649",
doi = "10.1016/j.molliq.2023.122649"
}

Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2023). COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys. in Journal of Molecular Liquids
Elsevier., 387, 122649.
https://doi.org/10.1016/j.molliq.2023.122649

Lazović M, Cvijetić I, Jankov M, Milojković-Opsenica D, Trifković J, Ristivojević P. COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys. in Journal of Molecular Liquids. 2023;387:122649.
doi:10.1016/j.molliq.2023.122649 .

Lazović, Mila, Cvijetić, Ilija, Jankov, Milica, Milojković-Opsenica, Dušanka, Trifković, Jelena, Ristivojević, Petar, "COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys" in Journal of Molecular Liquids, 387 (2023):122649,
https://doi.org/10.1016/j.molliq.2023.122649 . .

TY  - JOUR
AU  - Lazović, Mila
AU  - Cvijetić, Ilija
AU  - Trifković, Jelena
AU  - Agatonović‑Kuštrin, Snežana
AU  - Morton, David
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6231
AB  - Owing to the use of large volumes of toxic solvents and reagents, green analytical methods have gained increasing importance in natural product research. Herein, a green approach is proposed using the natural deep eutectic solvents (NADES) for the extraction and separation of phenols from Teucrium chamaedrys by use of an ecofriendly high-performance thin-layer chromatography (HPTLC) method. Principal component analysis was used to classify NADES extracts based on HPTLC data. The method’s greenness was assessed using two different tools: the National Environmental Methods Index (NEMI) and the analytical eco-scale. This method can also find application in routine quality control analysis of the investigated medicinal herb with minimal harm to the environment or human health.
PB  - Springer
T2  - JPC – Journal of Planar Chromatography – Modern TLC
T1  - Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale
VL  - n/a
DO  - 10.1007/s00764-023-00250-3
ER  - 

@article{
author = "Lazović, Mila and Cvijetić, Ilija and Trifković, Jelena and Agatonović‑Kuštrin, Snežana and Morton, David and Ristivojević, Petar",
year = "2023",
abstract = "Owing to the use of large volumes of toxic solvents and reagents, green analytical methods have gained increasing importance in natural product research. Herein, a green approach is proposed using the natural deep eutectic solvents (NADES) for the extraction and separation of phenols from Teucrium chamaedrys by use of an ecofriendly high-performance thin-layer chromatography (HPTLC) method. Principal component analysis was used to classify NADES extracts based on HPTLC data. The method’s greenness was assessed using two different tools: the National Environmental Methods Index (NEMI) and the analytical eco-scale. This method can also find application in routine quality control analysis of the investigated medicinal herb with minimal harm to the environment or human health.",
publisher = "Springer",
journal = "JPC – Journal of Planar Chromatography – Modern TLC",
title = "Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale",
volume = "n/a",
doi = "10.1007/s00764-023-00250-3"
}

Lazović, M., Cvijetić, I., Trifković, J., Agatonović‑Kuštrin, S., Morton, D.,& Ristivojević, P.. (2023). Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale. in JPC – Journal of Planar Chromatography – Modern TLC
Springer., n/a.
https://doi.org/10.1007/s00764-023-00250-3

Lazović M, Cvijetić I, Trifković J, Agatonović‑Kuštrin S, Morton D, Ristivojević P. Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale. in JPC – Journal of Planar Chromatography – Modern TLC. 2023;n/a.
doi:10.1007/s00764-023-00250-3 .

Lazović, Mila, Cvijetić, Ilija, Trifković, Jelena, Agatonović‑Kuštrin, Snežana, Morton, David, Ristivojević, Petar, "Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale" in JPC – Journal of Planar Chromatography – Modern TLC, n/a (2023),
https://doi.org/10.1007/s00764-023-00250-3 . .

TY  - CONF
AU  - Ivković, Đurđa
AU  - Topić, Milica
AU  - Trifković, Jelena
AU  - Krstić-Ristivojević, Maja
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6219
AB  - Due to their strong antioxidative potential, flower petals are considered important starting materials for the development of cosmetic products1. Present study explored phenolic profile and antioxidative potential of 17 flower petals and their potential application in the cosmetics industry. The phenolic profile of investigated extracts was determined using High-Performance Thin Layer Chromatography (HPTLC). The antioxidative potential was assessed using both ABTS and DPPH spectrophotometric tests, and total phenol content. DPPH-HPTLC assay was applied to identify compounds with the highest antioxidative activity. Five phenols were identified in the investigated extracts. Based on radical antioxidative tests, Paeonia lactifora, Paeonia decora, Rosa istriaca and Pelargonium peltatum were identified as species with the highest antioxidative potential, while gallic acid was recognized as the strongest antioxidants.

1. D. F. Hernandez et all, Crit. Rev. Food. Sci. Nutr, 2021, 61, 3740-3755.

Acknowledgement: This work was supported by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No.6389927.
C3  - 59th Meeting of the Serbian Chemical Society
T1  - The phenolic profile and antioxidative activity of seventeen flower petals extracts
IS  - 44
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6219
ER  - 

@conference{
author = "Ivković, Đurđa and Topić, Milica and Trifković, Jelena and Krstić-Ristivojević, Maja and Ristivojević, Petar",
year = "2023",
abstract = "Due to their strong antioxidative potential, flower petals are considered important starting materials for the development of cosmetic products1. Present study explored phenolic profile and antioxidative potential of 17 flower petals and their potential application in the cosmetics industry. The phenolic profile of investigated extracts was determined using High-Performance Thin Layer Chromatography (HPTLC). The antioxidative potential was assessed using both ABTS and DPPH spectrophotometric tests, and total phenol content. DPPH-HPTLC assay was applied to identify compounds with the highest antioxidative activity. Five phenols were identified in the investigated extracts. Based on radical antioxidative tests, Paeonia lactifora, Paeonia decora, Rosa istriaca and Pelargonium peltatum were identified as species with the highest antioxidative potential, while gallic acid was recognized as the strongest antioxidants.

1. D. F. Hernandez et all, Crit. Rev. Food. Sci. Nutr, 2021, 61, 3740-3755.

Acknowledgement: This work was supported by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No.6389927.",
journal = "59th Meeting of the Serbian Chemical Society",
title = "The phenolic profile and antioxidative activity of seventeen flower petals extracts",
number = "44",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6219"
}

Ivković, Đ., Topić, M., Trifković, J., Krstić-Ristivojević, M.,& Ristivojević, P.. (2023). The phenolic profile and antioxidative activity of seventeen flower petals extracts. in 59th Meeting of the Serbian Chemical Society(44).
https://hdl.handle.net/21.15107/rcub_cherry_6219

Ivković Đ, Topić M, Trifković J, Krstić-Ristivojević M, Ristivojević P. The phenolic profile and antioxidative activity of seventeen flower petals extracts. in 59th Meeting of the Serbian Chemical Society. 2023;(44).
https://hdl.handle.net/21.15107/rcub_cherry_6219 .

Ivković, Đurđa, Topić, Milica, Trifković, Jelena, Krstić-Ristivojević, Maja, Ristivojević, Petar, "The phenolic profile and antioxidative activity of seventeen flower petals extracts" in 59th Meeting of the Serbian Chemical Society, no. 44 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6219 .

TY  - CONF
AU  - Lazović, Mila Č.
AU  - Jović, Marko D.
AU  - Dimkić, Ivica Z.
AU  - Milojković-Opsenica, Dušanka
AU  - Ristivojević, Petar
AU  - Trifković, Jelena 
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6220
AB  - Natural Deep Eutectic Solvents (NADES) are novel and promising solvents for green extraction of phytochemicals from food and agricultural products. NADES are made of natural origin compounds that are connected via hydrogen bond and have unique tuneable properties1. Numerous studies investigated the extraction of bioactive compounds using NADES resulted in better extraction efficiency compared to conventional solvents, suggesting large potential of these solvents2,3. Low-toxicity, natural origin and affordability of NADES-based extracts enables their application as a preservative in the food industry or functional ingredient of food supplements. The aim of this study was to develop an efficient eco-friendly method for the extraction of phenolic compounds from berries, blueberry, chokeberry and black goji berry, using NADES. This goal will be achieved through investigation of extraction efficiency of applied NADES based on three different approaches, a) chromatographic, through high-performance thin layer chromatography (HPTLC) fingerprint analysis, ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer (UHPLC-DAD-MS/MS) target analysis and bioautography, b) spectroscopic, through quality control parameters, total phenolic content (TPC), total flavonoid content (TFC) and radical scavenging activity (RSA), and c) microbiological, through well diffusion method and minimum inhibitory concentration (MIC).
In this study, 36 NADES mixtures, prepared from primary plant metabolites, were tested as green alternatives for extraction of phenolics from three berries. Different hydrogen-bond acceptors (HBA), such as choline chloride, L-proline, L-glycine, and L-lysine were mixed with various hydrogen-bond donors (HBD), four organic acids, two sugars, glycerol and urea, at various molar ratios for NADES preparation. Guided by the fact that extraction efficiency depends on polarity, viscosity and dissolving ability of solvents4, the influence of HBA, HBD and water content were investigated. Methanol, as conventional solvent, was used as contrastive solvent.
Choline chloride-based NADES in combination with malic acid, glycerol or urea showed as most efficient. All groups of studied NADES showed various extraction capabilities for phenolic compounds based on chromatographic evaluation and spectrophotometric tests. These results indicate great power of NADES solvents towards selective extraction of phenolics and shows that NADES are designer solvents. Appropriate selection of components for NADES preparation can result in selective extraction of specific phenolic compounds, regardless of how similar structures of targeted compounds are or how complex the matrix is, which gives a significant advantage for application of NADES.
C3  - XXII Congress EuroFoodChem, Book of abstracts
T1  - Potential application of green extracts rich in phenolics for innovative functional foods: Natural deep eutectic solvents as medium for isolation of biocompounds from berries
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6220
ER  - 

@conference{
author = "Lazović, Mila Č. and Jović, Marko D. and Dimkić, Ivica Z. and Milojković-Opsenica, Dušanka and Ristivojević, Petar and Trifković, Jelena ",
year = "2023",
abstract = "Natural Deep Eutectic Solvents (NADES) are novel and promising solvents for green extraction of phytochemicals from food and agricultural products. NADES are made of natural origin compounds that are connected via hydrogen bond and have unique tuneable properties1. Numerous studies investigated the extraction of bioactive compounds using NADES resulted in better extraction efficiency compared to conventional solvents, suggesting large potential of these solvents2,3. Low-toxicity, natural origin and affordability of NADES-based extracts enables their application as a preservative in the food industry or functional ingredient of food supplements. The aim of this study was to develop an efficient eco-friendly method for the extraction of phenolic compounds from berries, blueberry, chokeberry and black goji berry, using NADES. This goal will be achieved through investigation of extraction efficiency of applied NADES based on three different approaches, a) chromatographic, through high-performance thin layer chromatography (HPTLC) fingerprint analysis, ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer (UHPLC-DAD-MS/MS) target analysis and bioautography, b) spectroscopic, through quality control parameters, total phenolic content (TPC), total flavonoid content (TFC) and radical scavenging activity (RSA), and c) microbiological, through well diffusion method and minimum inhibitory concentration (MIC).
In this study, 36 NADES mixtures, prepared from primary plant metabolites, were tested as green alternatives for extraction of phenolics from three berries. Different hydrogen-bond acceptors (HBA), such as choline chloride, L-proline, L-glycine, and L-lysine were mixed with various hydrogen-bond donors (HBD), four organic acids, two sugars, glycerol and urea, at various molar ratios for NADES preparation. Guided by the fact that extraction efficiency depends on polarity, viscosity and dissolving ability of solvents4, the influence of HBA, HBD and water content were investigated. Methanol, as conventional solvent, was used as contrastive solvent.
Choline chloride-based NADES in combination with malic acid, glycerol or urea showed as most efficient. All groups of studied NADES showed various extraction capabilities for phenolic compounds based on chromatographic evaluation and spectrophotometric tests. These results indicate great power of NADES solvents towards selective extraction of phenolics and shows that NADES are designer solvents. Appropriate selection of components for NADES preparation can result in selective extraction of specific phenolic compounds, regardless of how similar structures of targeted compounds are or how complex the matrix is, which gives a significant advantage for application of NADES.",
journal = "XXII Congress EuroFoodChem, Book of abstracts",
title = "Potential application of green extracts rich in phenolics for innovative functional foods: Natural deep eutectic solvents as medium for isolation of biocompounds from berries",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6220"
}

Lazović, M. Č., Jović, M. D., Dimkić, I. Z., Milojković-Opsenica, D., Ristivojević, P.,& Trifković, J.. (2023). Potential application of green extracts rich in phenolics for innovative functional foods: Natural deep eutectic solvents as medium for isolation of biocompounds from berries. in XXII Congress EuroFoodChem, Book of abstracts.
https://hdl.handle.net/21.15107/rcub_cherry_6220

Lazović MČ, Jović MD, Dimkić IZ, Milojković-Opsenica D, Ristivojević P, Trifković J. Potential application of green extracts rich in phenolics for innovative functional foods: Natural deep eutectic solvents as medium for isolation of biocompounds from berries. in XXII Congress EuroFoodChem, Book of abstracts. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6220 .

Lazović, Mila Č., Jović, Marko D., Dimkić, Ivica Z., Milojković-Opsenica, Dušanka, Ristivojević, Petar, Trifković, Jelena , "Potential application of green extracts rich in phenolics for innovative functional foods: Natural deep eutectic solvents as medium for isolation of biocompounds from berries" in XXII Congress EuroFoodChem, Book of abstracts (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6220 .