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  - 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
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 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.,& 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 D, 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, 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  - CONF
AU  - Veljković, Dušan
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",
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.. (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 D. 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, "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  - 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
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",
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.. (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 D. 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, "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  - Krishna de Guzman, Maria
AU  - Stanic-Vucinic, Dragana
AU  - Gligorijevic, Nikola
AU  - Wimmer, Lukas
AU  - Gasparyan, Manvel
AU  - Lujic, Tamara
AU  - Vasovic, Tamara
AU  - Dailey, Lea Ann
AU  - Van Haute, Sam
AU  - Cirkovic Velickovic, Tanja
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6320
AB  - Human ingestion of microplastics (MPs) is common and inevitable due to the widespread contamination of food items, but implications on the gastric digestion of food proteins are still unknown. In this study, the interactions between pepsin and polystyrene (PS) MPs were evaluated by investigating enzyme activity and conformation in a simulated human gastric environment in the presence or absence of PS MPs. The impact on food digestion was also assessed by monitoring the kinetics of protein hydrolysis through static in vitro gastric digestion of cow's milk contaminated with PS. The binding of pepsin to PS showed that the surface chemistry of MPs dictates binding affinity. The key contributor to pepsin adsorption seems to be π−π interactions between the aromatic residues and the PS phenyl rings. During quick exposure (10 min) of pepsin to increasing concentrations (222, 2219, 22188 particles/mL) of 10 μm PS (PS10) and 100 μm PS (PS100), total enzymatic activities were not affected remarkably. However, upon prolonged exposure at 1 and 2 h, preferential binding of pepsin to the small, low zeta-potential PS caused structural changes in the protein which led to a significant reduction of its activity. Digestion of cow's milk mixed with PS10 resulted in transient accumulation of larger peptides (10–35 kDa) and reduced bioavailability of short peptides (2–9 kDa) in the gastric phase. This, however, was only observed at extremely high PS10 concentration (0.3 mg/mL or 5.46E+05 particles/mL). The digestion of milk peptides, bound preferentially over pepsin within the hard corona on the PS10 surface, was delayed up to 15 min in comparison to bulk protein digestion. Intact caseins, otherwise rapidly digested, remained bound to PS10 in the hard corona for up to 15 min. This work presents valuable insights regarding the interaction of MPs, food proteins, and pepsin, and their dynamics during gastric digestion.
PB  - Elsevier
T2  - Environmental Pollution
T1  - Small polystyrene microplastics interfere with the breakdown of milk proteins during static in vitro simulated human gastric digestion
VL  - 335
SP  - 122282
DO  - 10.1016/j.envpol.2023.122282
ER  - 

@article{
author = "Krishna de Guzman, Maria and Stanic-Vucinic, Dragana and Gligorijevic, Nikola and Wimmer, Lukas and Gasparyan, Manvel and Lujic, Tamara and Vasovic, Tamara and Dailey, Lea Ann and Van Haute, Sam and Cirkovic Velickovic, Tanja",
year = "2023",
abstract = "Human ingestion of microplastics (MPs) is common and inevitable due to the widespread contamination of food items, but implications on the gastric digestion of food proteins are still unknown. In this study, the interactions between pepsin and polystyrene (PS) MPs were evaluated by investigating enzyme activity and conformation in a simulated human gastric environment in the presence or absence of PS MPs. The impact on food digestion was also assessed by monitoring the kinetics of protein hydrolysis through static in vitro gastric digestion of cow's milk contaminated with PS. The binding of pepsin to PS showed that the surface chemistry of MPs dictates binding affinity. The key contributor to pepsin adsorption seems to be π−π interactions between the aromatic residues and the PS phenyl rings. During quick exposure (10 min) of pepsin to increasing concentrations (222, 2219, 22188 particles/mL) of 10 μm PS (PS10) and 100 μm PS (PS100), total enzymatic activities were not affected remarkably. However, upon prolonged exposure at 1 and 2 h, preferential binding of pepsin to the small, low zeta-potential PS caused structural changes in the protein which led to a significant reduction of its activity. Digestion of cow's milk mixed with PS10 resulted in transient accumulation of larger peptides (10–35 kDa) and reduced bioavailability of short peptides (2–9 kDa) in the gastric phase. This, however, was only observed at extremely high PS10 concentration (0.3 mg/mL or 5.46E+05 particles/mL). The digestion of milk peptides, bound preferentially over pepsin within the hard corona on the PS10 surface, was delayed up to 15 min in comparison to bulk protein digestion. Intact caseins, otherwise rapidly digested, remained bound to PS10 in the hard corona for up to 15 min. This work presents valuable insights regarding the interaction of MPs, food proteins, and pepsin, and their dynamics during gastric digestion.",
publisher = "Elsevier",
journal = "Environmental Pollution",
title = "Small polystyrene microplastics interfere with the breakdown of milk proteins during static in vitro simulated human gastric digestion",
volume = "335",
pages = "122282",
doi = "10.1016/j.envpol.2023.122282"
}

Krishna de Guzman, M., Stanic-Vucinic, D., Gligorijevic, N., Wimmer, L., Gasparyan, M., Lujic, T., Vasovic, T., Dailey, L. A., Van Haute, S.,& Cirkovic Velickovic, T.. (2023). Small polystyrene microplastics interfere with the breakdown of milk proteins during static in vitro simulated human gastric digestion. in Environmental Pollution
Elsevier., 335, 122282.
https://doi.org/10.1016/j.envpol.2023.122282

Krishna de Guzman M, Stanic-Vucinic D, Gligorijevic N, Wimmer L, Gasparyan M, Lujic T, Vasovic T, Dailey LA, Van Haute S, Cirkovic Velickovic T. Small polystyrene microplastics interfere with the breakdown of milk proteins during static in vitro simulated human gastric digestion. in Environmental Pollution. 2023;335:122282.
doi:10.1016/j.envpol.2023.122282 .

Krishna de Guzman, Maria, Stanic-Vucinic, Dragana, Gligorijevic, Nikola, Wimmer, Lukas, Gasparyan, Manvel, Lujic, Tamara, Vasovic, Tamara, Dailey, Lea Ann, Van Haute, Sam, Cirkovic Velickovic, Tanja, "Small polystyrene microplastics interfere with the breakdown of milk proteins during static in vitro simulated human gastric digestion" in Environmental Pollution, 335 (2023):122282,
https://doi.org/10.1016/j.envpol.2023.122282 . .

TY  - CONF
AU  - Rabrenović, Biljana
AU  - Akšić Fotirić, Milica
AU  - Rašović, Aleksandra
AU  - Dabic Zagorac, Dragana
AU  - Sredojević, Milica
AU  - Ćirić, Ivanka
AU  - Obradović, Nataša
AU  - Volić, Mina
AU  - Natić, Maja
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6319
AB  - U industriji sokova, prilikom proizvodnje soka od maline, seme se uklanja
kao neželjeni sastojak odnosno nusproizvod (biootpad). Inspirisani nelinearnim
pristupom „take-make-dispose-recycle”, pokušali smo da razvijemo strategiju za
valorizaciju semena maline u cilju dobijanja hladno presovanog ulja i bioaktivnih
ekstrakata iz pogače, sa mogućom primenom u prehrambenoj i kozmetičkoj industriji.
S obzirom da seme maline sadrži značajnu količinu ulja (10-23%) upotrebljeno je
za izdvajanje ulja postupkom hladnog presovanja. Ispitan je sastav masnih kiselina
gasnom hromatografijom metilestara kao i oksidativna stabilnost dobijenog ulja,
primenom Oxitest uređaja. Posle izdvajanja ulja, pogača, koja se takođe smatra
nusproizvodom, korišćena je za ekstrakciju bioaktivnih komponenti. Vodeći se
principom „zelene” ekstrakcije, primenjeno je nekoliko kombinacija rastvarača.
Rezultati ukupnog sadržaja polifenola i antioksidativne aktivnosti upotrebljeni su za
odabir najefikasnijeg ekstrakcionog sredstva.
PB  - Novi Sad : Industrijsko bilje
C3  - Production and Processing of Oilseeds, Proceedings of the 64th Oil Industry Conference, Herceg Novi, Crna Gora, 25-30. June 2023
T1  - Valorization of raspberry seeds in order to obtain cold- pressed oil and bioactive extracts from oil cake.
SP  - 129
EP  - 139
ER  - 

@conference{
author = "Rabrenović, Biljana and Akšić Fotirić, Milica and Rašović, Aleksandra and Dabic Zagorac, Dragana and Sredojević, Milica and Ćirić, Ivanka and Obradović, Nataša and Volić, Mina and Natić, Maja",
year = "2023",
abstract = "U industriji sokova, prilikom proizvodnje soka od maline, seme se uklanja
kao neželjeni sastojak odnosno nusproizvod (biootpad). Inspirisani nelinearnim
pristupom „take-make-dispose-recycle”, pokušali smo da razvijemo strategiju za
valorizaciju semena maline u cilju dobijanja hladno presovanog ulja i bioaktivnih
ekstrakata iz pogače, sa mogućom primenom u prehrambenoj i kozmetičkoj industriji.
S obzirom da seme maline sadrži značajnu količinu ulja (10-23%) upotrebljeno je
za izdvajanje ulja postupkom hladnog presovanja. Ispitan je sastav masnih kiselina
gasnom hromatografijom metilestara kao i oksidativna stabilnost dobijenog ulja,
primenom Oxitest uređaja. Posle izdvajanja ulja, pogača, koja se takođe smatra
nusproizvodom, korišćena je za ekstrakciju bioaktivnih komponenti. Vodeći se
principom „zelene” ekstrakcije, primenjeno je nekoliko kombinacija rastvarača.
Rezultati ukupnog sadržaja polifenola i antioksidativne aktivnosti upotrebljeni su za
odabir najefikasnijeg ekstrakcionog sredstva.",
publisher = "Novi Sad : Industrijsko bilje",
journal = "Production and Processing of Oilseeds, Proceedings of the 64th Oil Industry Conference, Herceg Novi, Crna Gora, 25-30. June 2023",
title = "Valorization of raspberry seeds in order to obtain cold- pressed oil and bioactive extracts from oil cake.",
pages = "129-139"
}

Rabrenović, B., Akšić Fotirić, M., Rašović, A., Dabic Zagorac, D., Sredojević, M., Ćirić, I., Obradović, N., Volić, M.,& Natić, M.. (2023). Valorization of raspberry seeds in order to obtain cold- pressed oil and bioactive extracts from oil cake.. in Production and Processing of Oilseeds, Proceedings of the 64th Oil Industry Conference, Herceg Novi, Crna Gora, 25-30. June 2023
Novi Sad : Industrijsko bilje., 129-139.

Rabrenović B, Akšić Fotirić M, Rašović A, Dabic Zagorac D, Sredojević M, Ćirić I, Obradović N, Volić M, Natić M. Valorization of raspberry seeds in order to obtain cold- pressed oil and bioactive extracts from oil cake.. in Production and Processing of Oilseeds, Proceedings of the 64th Oil Industry Conference, Herceg Novi, Crna Gora, 25-30. June 2023. 2023;:129-139..

Rabrenović, Biljana, Akšić Fotirić, Milica, Rašović, Aleksandra, Dabic Zagorac, Dragana, Sredojević, Milica, Ćirić, Ivanka, Obradović, Nataša, Volić, Mina, Natić, Maja, "Valorization of raspberry seeds in order to obtain cold- pressed oil and bioactive extracts from oil cake." in Production and Processing of Oilseeds, Proceedings of the 64th Oil Industry Conference, Herceg Novi, Crna Gora, 25-30. June 2023 (2023):129-139.

TY  - JOUR
AU  - Akšić Fotirić, Milica
AU  - Tešić, Živoslav Lj.
AU  - Kalaba, Milica
AU  - Ćirić, Ivanka
AU  - Pezo, Lato
AU  - Lončar (born Ćurčić), Biljana
AU  - Gašić, Uroš
AU  - Dojčinović, Biljana
AU  - Tosti, Tomislav
AU  - Meland, Mekjell
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6309
AB  - The aim of this study was to find the chemical parameters for the differentiation of plum
cultivars grown along the fjord areas of Western Norway and Eastern Norway, having specific
agroclimatic conditions. Chemical analysis of the fruits confirmed the contents of 13 quantified
elements, 22 sugar compounds, 11 organic acids, 19 phenolic compounds, and antioxidant activity in
68 plum cultivars. Dominated contents were noted for nitrogen (with the maximum mean value of
3.11%), potassium (8055.80 mg/kg), and phosphorous (7878.88 mg/kg). Averagely, the highest level
of sugars was determined for glucose (244.46 g/kg), fructose (197.92 g/kg), sucrose (208.25 g/kg),
and sorbitol (98.02 g/kg), organic acids for malic acid (24.06 g/kg), and for polyphenol compounds
were 5-O-caffeoylquinic acid (66.31 mg/kg), and rutin (58.06 mg/kg). Applied principal component
analysis has been useful for distinguishing the plum cultivars from three areas in Norway where
copper, iron, potassium, magnesium, manganese, and sodium; sucrose, ribose, maltose, and raffinose;
p-hydroxybenzoic acid, rutin, ferulic acid, kaempferol 7-O-glucoside, p-coumaric acid, and 5-Ocaffeoylquinic acid were the most influential. In regard to human health and future breeding work
that will have the aim to produce functional food with high health-related compounds, the plum
cultivar ‘Mallard’ should be underlined due to the high level of elements, ‘Valor’ due to high sugar
content, ‘Helgøyplomme’ due to content of organic acids, and ‘Diamond’ due to the content of
phenolic compounds.
PB  - MDPI
T2  - Horticulturae
T1  - Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway
VL  - 9
SP  - 477
DO  - 10.3390/horticulturae9040477
ER  - 

@article{
author = "Akšić Fotirić, Milica and Tešić, Živoslav Lj. and Kalaba, Milica and Ćirić, Ivanka and Pezo, Lato and Lončar (born Ćurčić), Biljana and Gašić, Uroš and Dojčinović, Biljana and Tosti, Tomislav and Meland, Mekjell",
year = "2023",
abstract = "The aim of this study was to find the chemical parameters for the differentiation of plum
cultivars grown along the fjord areas of Western Norway and Eastern Norway, having specific
agroclimatic conditions. Chemical analysis of the fruits confirmed the contents of 13 quantified
elements, 22 sugar compounds, 11 organic acids, 19 phenolic compounds, and antioxidant activity in
68 plum cultivars. Dominated contents were noted for nitrogen (with the maximum mean value of
3.11%), potassium (8055.80 mg/kg), and phosphorous (7878.88 mg/kg). Averagely, the highest level
of sugars was determined for glucose (244.46 g/kg), fructose (197.92 g/kg), sucrose (208.25 g/kg),
and sorbitol (98.02 g/kg), organic acids for malic acid (24.06 g/kg), and for polyphenol compounds
were 5-O-caffeoylquinic acid (66.31 mg/kg), and rutin (58.06 mg/kg). Applied principal component
analysis has been useful for distinguishing the plum cultivars from three areas in Norway where
copper, iron, potassium, magnesium, manganese, and sodium; sucrose, ribose, maltose, and raffinose;
p-hydroxybenzoic acid, rutin, ferulic acid, kaempferol 7-O-glucoside, p-coumaric acid, and 5-Ocaffeoylquinic acid were the most influential. In regard to human health and future breeding work
that will have the aim to produce functional food with high health-related compounds, the plum
cultivar ‘Mallard’ should be underlined due to the high level of elements, ‘Valor’ due to high sugar
content, ‘Helgøyplomme’ due to content of organic acids, and ‘Diamond’ due to the content of
phenolic compounds.",
publisher = "MDPI",
journal = "Horticulturae",
title = "Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway",
volume = "9",
pages = "477",
doi = "10.3390/horticulturae9040477"
}

Akšić Fotirić, M., Tešić, Ž. Lj., Kalaba, M., Ćirić, I., Pezo, L., Lončar (born Ćurčić), B., Gašić, U., Dojčinović, B., Tosti, T.,& Meland, M.. (2023). Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway. in Horticulturae
MDPI., 9, 477.
https://doi.org/10.3390/horticulturae9040477

Akšić Fotirić M, Tešić ŽL, Kalaba M, Ćirić I, Pezo L, Lončar (born Ćurčić) B, Gašić U, Dojčinović B, Tosti T, Meland M. Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway. in Horticulturae. 2023;9:477.
doi:10.3390/horticulturae9040477 .

Akšić Fotirić, Milica, Tešić, Živoslav Lj., Kalaba, Milica, Ćirić, Ivanka, Pezo, Lato, Lončar (born Ćurčić), Biljana, Gašić, Uroš, Dojčinović, Biljana, Tosti, Tomislav, Meland, Mekjell, "Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway" in Horticulturae, 9 (2023):477,
https://doi.org/10.3390/horticulturae9040477 . .

TY  - CHAP
AU  - Ćirić, Ivanka
AU  - Sredojević, Milica
AU  - Dabić Zagorac, Dragana
AU  - Fotirić-Akšić, Milica
AU  - Meland, Mekjell
AU  - Natić, Maja
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6191
AB  - Berry fruits (such as strawberry – Fragaria × ananassa, raspberry – Rubus idaeus, blackberry – Rubus fruticosus, currants – Ribes sp., blueberry – Vaccinium sp., and many others) are known for their health benefits due to their richness in sugars, acids, vitamins, minerals, phenolics, and other nutrients. However, their contents are influenced by various factors, such as species, berry cultivar, ripeness, geographical origin, and growing conditions, and the type of extraction and processing of raw seed material. Generally, the berry industry for juice and fruit-wine production produces vast amounts of by-products (mostly seeds). Since berry seeds contain lipids, these by-products are very interesting as a raw material for oil production. As berry seed oil production generates certain waste, strategies towards reducing and valorizing need to be developed. Unlike beery fruits and berry seed oil, whose composition has been tested many times so far, berry seed oil by-products were the subject of a small number of published papers. Due to chemical richness and heterogeneity, it is expected that berry seed oil by-products to be promising natural bio-resource. Still, it is necessary to consider how many other biologically valuable compounds remain in seed waste. © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.
PB  - Springer
T2  - Reference Series in Phytochemistry
T1  - Bioactive Phytochemicals from Berries Seed Oil Processing By-products
SP  - 431
EP  - 453
DO  - 10.1007/978-3-030-91381-6_19
ER  - 

@inbook{
author = "Ćirić, Ivanka and Sredojević, Milica and Dabić Zagorac, Dragana and Fotirić-Akšić, Milica and Meland, Mekjell and Natić, Maja",
year = "2023",
abstract = "Berry fruits (such as strawberry – Fragaria × ananassa, raspberry – Rubus idaeus, blackberry – Rubus fruticosus, currants – Ribes sp., blueberry – Vaccinium sp., and many others) are known for their health benefits due to their richness in sugars, acids, vitamins, minerals, phenolics, and other nutrients. However, their contents are influenced by various factors, such as species, berry cultivar, ripeness, geographical origin, and growing conditions, and the type of extraction and processing of raw seed material. Generally, the berry industry for juice and fruit-wine production produces vast amounts of by-products (mostly seeds). Since berry seeds contain lipids, these by-products are very interesting as a raw material for oil production. As berry seed oil production generates certain waste, strategies towards reducing and valorizing need to be developed. Unlike beery fruits and berry seed oil, whose composition has been tested many times so far, berry seed oil by-products were the subject of a small number of published papers. Due to chemical richness and heterogeneity, it is expected that berry seed oil by-products to be promising natural bio-resource. Still, it is necessary to consider how many other biologically valuable compounds remain in seed waste. © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.",
publisher = "Springer",
journal = "Reference Series in Phytochemistry",
booktitle = "Bioactive Phytochemicals from Berries Seed Oil Processing By-products",
pages = "431-453",
doi = "10.1007/978-3-030-91381-6_19"
}

Ćirić, I., Sredojević, M., Dabić Zagorac, D., Fotirić-Akšić, M., Meland, M.,& Natić, M.. (2023). Bioactive Phytochemicals from Berries Seed Oil Processing By-products. in Reference Series in Phytochemistry
Springer., 431-453.
https://doi.org/10.1007/978-3-030-91381-6_19

Ćirić I, Sredojević M, Dabić Zagorac D, Fotirić-Akšić M, Meland M, Natić M. Bioactive Phytochemicals from Berries Seed Oil Processing By-products. in Reference Series in Phytochemistry. 2023;:431-453.
doi:10.1007/978-3-030-91381-6_19 .

Ćirić, Ivanka, Sredojević, Milica, Dabić Zagorac, Dragana, Fotirić-Akšić, Milica, Meland, Mekjell, Natić, Maja, "Bioactive Phytochemicals from Berries Seed Oil Processing By-products" in Reference Series in Phytochemistry (2023):431-453,
https://doi.org/10.1007/978-3-030-91381-6_19 . .

TY  - JOUR
AU  - Araškov, Jovana
AU  - Ristić, Predrag
AU  - Višnjevac, Aleksandar
AU  - Mitić, Dragana
AU  - Andrej, Milivojac
AU  - Filipović, Nenad
AU  - Todorović, Tamara
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6317
AB  - An octahedral complex of Zn(II) with a ligand from a class of pyridine-based 1,3-selenazolyl-hydrazones was synthesized and characterized by IR and NMR spectroscopy and single crystal X-ray diffraction analysis. The purity of the complex was confirmed by elemental analysis. Two ligands are coordinated in the neutral NNN-tridentate form forming a complex cation, while the positive charge is neutralized by [ZnCl4]2–. Complex crystallizes in monoclinic C2/c space group with the Zn atoms situated in a special position. The packing features of the novel complex were analyzed using Hirshfeld surfaces, construction of 2D pseudosymmetric plot and DFT quantum mechanical calculations and compared with the previously published sulfur-based isostere. The key difference in the structures, imposed by replacement of sulfur with selenium, were identified.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study
VL  - n/a
DO  - 10.2298/JSC230831079A
ER  - 

@article{
author = "Araškov, Jovana and Ristić, Predrag and Višnjevac, Aleksandar and Mitić, Dragana and Andrej, Milivojac and Filipović, Nenad and Todorović, Tamara",
year = "2023",
abstract = "An octahedral complex of Zn(II) with a ligand from a class of pyridine-based 1,3-selenazolyl-hydrazones was synthesized and characterized by IR and NMR spectroscopy and single crystal X-ray diffraction analysis. The purity of the complex was confirmed by elemental analysis. Two ligands are coordinated in the neutral NNN-tridentate form forming a complex cation, while the positive charge is neutralized by [ZnCl4]2–. Complex crystallizes in monoclinic C2/c space group with the Zn atoms situated in a special position. The packing features of the novel complex were analyzed using Hirshfeld surfaces, construction of 2D pseudosymmetric plot and DFT quantum mechanical calculations and compared with the previously published sulfur-based isostere. The key difference in the structures, imposed by replacement of sulfur with selenium, were identified.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study",
volume = "n/a",
doi = "10.2298/JSC230831079A"
}

Araškov, J., Ristić, P., Višnjevac, A., Mitić, D., Andrej, M., Filipović, N.,& Todorović, T.. (2023). Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., n/a.
https://doi.org/10.2298/JSC230831079A

Araškov J, Ristić P, Višnjevac A, Mitić D, Andrej M, Filipović N, Todorović T. Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study. in Journal of the Serbian Chemical Society. 2023;n/a.
doi:10.2298/JSC230831079A .

Araškov, Jovana, Ristić, Predrag, Višnjevac, Aleksandar, Mitić, Dragana, Andrej, Milivojac, Filipović, Nenad, Todorović, Tamara, "Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study" in Journal of the Serbian Chemical Society, n/a (2023),
https://doi.org/10.2298/JSC230831079A . .

TY  - CONF
AU  - Veličković, Luka
AU  - Simović, Ana
AU  - Gligorijević, Nikola
AU  - Obradović, Milica
AU  - Sotiroudis, Georgios
AU  - Zoumpanioti, Maria
AU  - Minić, Simeon
AU  - Nikolić, Milan
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6315
AB  - Purple R-phycocyanin is a protein from red algae with the potential for application in the food industry (colorant) and wastewater treatment (binding of heavy metals). Analytical grade R-phycocyanin was purified from the buffered extract of dried Nori flakes (Porphyra spp.) by combining ammonium sulfate precipitation, hydroxyapatite, and DEAE-Sepharose column chromatography. The multimeric protein had absorption maxima characteristic for phycoerythrobilin (at 580 nm) and phycocyanobilin (at 640 nm) chromophores, high α- helical content, and melting temperature of 52°C. The secondary R-PC structure was stable under a wide range of pH values (3–9). R-phycocyanin immobilized in calcium alginate beads showed increased thermal stability and preserved antioxidant activity.
AB  - Ljubičasti R-fikocijanin je protein crvenih algi sa mogućnostima primene u industriji hrane (kolorant) i za tretman otpadnih voda (vezuje teške metale). R-fikocijanin analitičke čistoće je izolovan iz puferisanog ekstrakta osušenih Nori algi (Porphyra spp.), kombinacijom taloženja amonijum-sulfatom, hidroksiapatitne i hromatografije na DEAE-Sepharose koloni. Multimerni protein imao je apsorpcione maksimume karakteristične za fikoeritrobilinsku (na 580 nm) i fikocijanobilinsku (na 640 nm) hromoforu, visok sadržaj α-zavojnica i temperaturu topljenja od 52°C. Sekundarna struktura proteina bila je stabilna u širokom rasponu pH vrednosti (3–9). R-fikocijanin imobilisan u kuglice kalcijum-alginata pokazao je povećanu toplotnu stabilnost i očuvana antioksidativna svojstva.
PB  - Belgrade : Serbian Chemical Society
C3  - 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia
T1  - Purification and structural characterization of R-phycocyanin
T1  - Prečišćavanje i strukturna karakterizacija R-fikocijanina
SP  - 53
EP  - 53
ER  - 

@conference{
author = "Veličković, Luka and Simović, Ana and Gligorijević, Nikola and Obradović, Milica and Sotiroudis, Georgios and Zoumpanioti, Maria and Minić, Simeon and Nikolić, Milan",
year = "2023",
abstract = "Purple R-phycocyanin is a protein from red algae with the potential for application in the food industry (colorant) and wastewater treatment (binding of heavy metals). Analytical grade R-phycocyanin was purified from the buffered extract of dried Nori flakes (Porphyra spp.) by combining ammonium sulfate precipitation, hydroxyapatite, and DEAE-Sepharose column chromatography. The multimeric protein had absorption maxima characteristic for phycoerythrobilin (at 580 nm) and phycocyanobilin (at 640 nm) chromophores, high α- helical content, and melting temperature of 52°C. The secondary R-PC structure was stable under a wide range of pH values (3–9). R-phycocyanin immobilized in calcium alginate beads showed increased thermal stability and preserved antioxidant activity., Ljubičasti R-fikocijanin je protein crvenih algi sa mogućnostima primene u industriji hrane (kolorant) i za tretman otpadnih voda (vezuje teške metale). R-fikocijanin analitičke čistoće je izolovan iz puferisanog ekstrakta osušenih Nori algi (Porphyra spp.), kombinacijom taloženja amonijum-sulfatom, hidroksiapatitne i hromatografije na DEAE-Sepharose koloni. Multimerni protein imao je apsorpcione maksimume karakteristične za fikoeritrobilinsku (na 580 nm) i fikocijanobilinsku (na 640 nm) hromoforu, visok sadržaj α-zavojnica i temperaturu topljenja od 52°C. Sekundarna struktura proteina bila je stabilna u širokom rasponu pH vrednosti (3–9). R-fikocijanin imobilisan u kuglice kalcijum-alginata pokazao je povećanu toplotnu stabilnost i očuvana antioksidativna svojstva.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia",
title = "Purification and structural characterization of R-phycocyanin, Prečišćavanje i strukturna karakterizacija R-fikocijanina",
pages = "53-53"
}

Veličković, L., Simović, A., Gligorijević, N., Obradović, M., Sotiroudis, G., Zoumpanioti, M., Minić, S.,& Nikolić, M.. (2023). Purification and structural characterization of R-phycocyanin. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia
Belgrade : Serbian Chemical Society., 53-53.

Veličković L, Simović A, Gligorijević N, Obradović M, Sotiroudis G, Zoumpanioti M, Minić S, Nikolić M. Purification and structural characterization of R-phycocyanin. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia. 2023;:53-53..

Veličković, Luka, Simović, Ana, Gligorijević, Nikola, Obradović, Milica, Sotiroudis, Georgios, Zoumpanioti, Maria, Minić, Simeon, Nikolić, Milan, "Purification and structural characterization of R-phycocyanin" in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia (2023):53-53.

TY  - JOUR
AU  - Veličković, Luka
AU  - Simović, Ana
AU  - Gligorijević, Nikola
AU  - Thureau, Aurélien
AU  - Obradović, Milica
AU  - Vasović, Tamara
AU  - Sotiroudis, Georgios
AU  - Zoumpanioti, Maria
AU  - Brûlet, Annie
AU  - Ćirković-Veličković, Tanja
AU  - Combet, Sophie
AU  - Nikolić, Milan
AU  - Minić, Simeon
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6273
AB  - This study aimed to purify, characterise and stabilise the natural food colourant, R-phycocyanin (R-PC), from the red algae Porphyra spp. (Nori). We purified R-PC from dried Nori flakes with a high purity ratio (A618/A280 ≥ 3.4) in native form (α-helix content 53%). SAXS measurements revealed that R-PC is trimeric ((αβ)3) in solution. The thermal denaturation of α-helix revealed one transition (Tm at 52 °C), while the pH stability study showed R-PC is stable in the pH range 4–8. The thermal treatment of R-PC at 60 °C has detrimental and irreversible effects on R-PC colour and antioxidant capacity (22 % of residual capacity). However, immobilisation of R-PC within calcium alginate beads completely preserves R-PC colour and mainly retains its antioxidant ability (78 % of residual capacity). Results give new insights into the stability of R-PC and preservation of its purple colour and bioactivity by encapsulation in calcium alginate beads.
PB  - Elsevier
T2  - Food Chemistry
T1  - Exploring and strengthening the potential of R-phycocyanin from Nori flakes as a food colourant
VL  - 426
SP  - 136669
DO  - 10.1016/j.foodchem.2023.136669
ER  - 

@article{
author = "Veličković, Luka and Simović, Ana and Gligorijević, Nikola and Thureau, Aurélien and Obradović, Milica and Vasović, Tamara and Sotiroudis, Georgios and Zoumpanioti, Maria and Brûlet, Annie and Ćirković-Veličković, Tanja and Combet, Sophie and Nikolić, Milan and Minić, Simeon",
year = "2023",
abstract = "This study aimed to purify, characterise and stabilise the natural food colourant, R-phycocyanin (R-PC), from the red algae Porphyra spp. (Nori). We purified R-PC from dried Nori flakes with a high purity ratio (A618/A280 ≥ 3.4) in native form (α-helix content 53%). SAXS measurements revealed that R-PC is trimeric ((αβ)3) in solution. The thermal denaturation of α-helix revealed one transition (Tm at 52 °C), while the pH stability study showed R-PC is stable in the pH range 4–8. The thermal treatment of R-PC at 60 °C has detrimental and irreversible effects on R-PC colour and antioxidant capacity (22 % of residual capacity). However, immobilisation of R-PC within calcium alginate beads completely preserves R-PC colour and mainly retains its antioxidant ability (78 % of residual capacity). Results give new insights into the stability of R-PC and preservation of its purple colour and bioactivity by encapsulation in calcium alginate beads.",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Exploring and strengthening the potential of R-phycocyanin from Nori flakes as a food colourant",
volume = "426",
pages = "136669",
doi = "10.1016/j.foodchem.2023.136669"
}

Veličković, L., Simović, A., Gligorijević, N., Thureau, A., Obradović, M., Vasović, T., Sotiroudis, G., Zoumpanioti, M., Brûlet, A., Ćirković-Veličković, T., Combet, S., Nikolić, M.,& Minić, S.. (2023). Exploring and strengthening the potential of R-phycocyanin from Nori flakes as a food colourant. in Food Chemistry
Elsevier., 426, 136669.
https://doi.org/10.1016/j.foodchem.2023.136669

Veličković L, Simović A, Gligorijević N, Thureau A, Obradović M, Vasović T, Sotiroudis G, Zoumpanioti M, Brûlet A, Ćirković-Veličković T, Combet S, Nikolić M, Minić S. Exploring and strengthening the potential of R-phycocyanin from Nori flakes as a food colourant. in Food Chemistry. 2023;426:136669.
doi:10.1016/j.foodchem.2023.136669 .

Veličković, Luka, Simović, Ana, Gligorijević, Nikola, Thureau, Aurélien, Obradović, Milica, Vasović, Tamara, Sotiroudis, Georgios, Zoumpanioti, Maria, Brûlet, Annie, Ćirković-Veličković, Tanja, Combet, Sophie, Nikolić, Milan, Minić, Simeon, "Exploring and strengthening the potential of R-phycocyanin from Nori flakes as a food colourant" in Food Chemistry, 426 (2023):136669,
https://doi.org/10.1016/j.foodchem.2023.136669 . .

TY  - RPRT
AU  - Božić, Tatjana T.
AU  - Beškoski, Vladimir
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6063
AB  - This report provides an overview of the recruitment procedure conducted for hiring additional personnel for the International Cooperation and Project Management Office at the University of Belgrade - Faculty of Chemistry within WP4 of PFAStwin project. The purpose of the recruitment process was to identify and select highly qualified candidates who possess the necessary skills and experience to contribute effectively to the office's operations and objectives.
T1  - D4.2 Report on the recruitment procedure for hiring  additional personnel for the GO of UBFC
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6063
ER  - 

@techreport{
author = "Božić, Tatjana T. and Beškoski, Vladimir",
year = "2023",
abstract = "This report provides an overview of the recruitment procedure conducted for hiring additional personnel for the International Cooperation and Project Management Office at the University of Belgrade - Faculty of Chemistry within WP4 of PFAStwin project. The purpose of the recruitment process was to identify and select highly qualified candidates who possess the necessary skills and experience to contribute effectively to the office's operations and objectives.",
title = "D4.2 Report on the recruitment procedure for hiring  additional personnel for the GO of UBFC",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6063"
}

Božić, T. T.,& Beškoski, V.. (2023). D4.2 Report on the recruitment procedure for hiring  additional personnel for the GO of UBFC. .
https://hdl.handle.net/21.15107/rcub_cherry_6063

Božić TT, Beškoski V. D4.2 Report on the recruitment procedure for hiring  additional personnel for the GO of UBFC. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6063 .

Božić, Tatjana T., Beškoski, Vladimir, "D4.2 Report on the recruitment procedure for hiring  additional personnel for the GO of UBFC" (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6063 .

TY  - RPRT
AU  - Božić, Tatjana T.
AU  - Gruden-Pavlović, Maja
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6062
AB  - Report with the action plan on the reorganization of the work force in the UBFC was developed within WP4 of the PFAStwin project. The aim is to devise a plan for better GO performance, which will be accepted by the governing body of the UBFC and put into force.
T1  - D4.1 Report with the Action plan on the reorganization of the work force in the UBFC
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6062
ER  - 

@techreport{
author = "Božić, Tatjana T. and Gruden-Pavlović, Maja",
year = "2023",
abstract = "Report with the action plan on the reorganization of the work force in the UBFC was developed within WP4 of the PFAStwin project. The aim is to devise a plan for better GO performance, which will be accepted by the governing body of the UBFC and put into force.",
title = "D4.1 Report with the Action plan on the reorganization of the work force in the UBFC",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6062"
}

Božić, T. T.,& Gruden-Pavlović, M.. (2023). D4.1 Report with the Action plan on the reorganization of the work force in the UBFC. .
https://hdl.handle.net/21.15107/rcub_cherry_6062

Božić TT, Gruden-Pavlović M. D4.1 Report with the Action plan on the reorganization of the work force in the UBFC. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6062 .

Božić, Tatjana T., Gruden-Pavlović, Maja, "D4.1 Report with the Action plan on the reorganization of the work force in the UBFC" (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6062 .

TY  - RPRT
AU  - Jiménez, Begoña
AU  - Beškoski, Vladimir
AU  - Božić, Tatjana T.
AU  - Colomer Vidal, Pere
AU  - Muñoz Arnanz, Juan
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6060
AB  - The development of the Scientific Strategy for PFAS Analysis and Bioremediation at 
UBFC has been successfully completed through Work Package 1 of the PFAStwin project. Under this strategy, a thorough ten-year plan has been formulated. The main goal of this plan is to 
establish UBFC as a leading hub of expertise in PFAS research, fostering creative projects and cooperative efforts to tackle PFAS-related challenges. The objective of this deliverable is to create an action plan outlining the essential measures required to achieve the goals set in the ten-year plan.
T1  - D1.3 Action plan
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6060
ER  - 

@techreport{
author = "Jiménez, Begoña and Beškoski, Vladimir and Božić, Tatjana T. and Colomer Vidal, Pere and Muñoz Arnanz, Juan",
year = "2023",
abstract = "The development of the Scientific Strategy for PFAS Analysis and Bioremediation at 
UBFC has been successfully completed through Work Package 1 of the PFAStwin project. Under this strategy, a thorough ten-year plan has been formulated. The main goal of this plan is to 
establish UBFC as a leading hub of expertise in PFAS research, fostering creative projects and cooperative efforts to tackle PFAS-related challenges. The objective of this deliverable is to create an action plan outlining the essential measures required to achieve the goals set in the ten-year plan.",
title = "D1.3 Action plan",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6060"
}

Jiménez, B., Beškoski, V., Božić, T. T., Colomer Vidal, P.,& Muñoz Arnanz, J.. (2023). D1.3 Action plan. .
https://hdl.handle.net/21.15107/rcub_cherry_6060

Jiménez B, Beškoski V, Božić TT, Colomer Vidal P, Muñoz Arnanz J. D1.3 Action plan. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6060 .

Jiménez, Begoña, Beškoski, Vladimir, Božić, Tatjana T., Colomer Vidal, Pere, Muñoz Arnanz, Juan, "D1.3 Action plan" (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6060 .

TY  - GEN
AU  - Beškoski, Vladimir
AU  - Lješević, Marija
AU  - Lončarević, Branka
AU  - Božić, Tatjana T.
AU  - Relić, Dubravka
AU  - Vujisić, Ljubodrag V.
AU  - Gruden-Pavlović, Maja
AU  - Lugonja, Nikoleta
AU  - Jiménez, Begoña
AU  - Colomer Vidal, Pere
AU  - Muñoz Arnanz, Juan
AU  - Battaglia, Fabienne
AU  - Crampon, Marc
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6048
AB  - Per- and polyfluoroalkyl substances (PFAS) are a group of synthetic chemicals that have been widely used in various industrial and consumer products due to their unique properties, such as oil and water repellency, thermal stability, and durability. However, the persistence and mobility of these chemicals in the environment have raised concerns about their potential adverse effects on human health and the environment. PFAS have been detected on a global scale in various environmental media, such as soil, water, air, and biota. As a country undergoing economic development and transition, Serbia faces the challenge of managing and addressing the PFAS contamination in its environment. This challenge requires a comprehensive and science-based strategy that can effectively reduce the exposure and risks of PFAS to human health and the environment. This document aims to provide a scientific strategy for solving the PFAS challenge in Serbia. Firstly, it is important to acknowledge that PFAS are persistent and bioaccumulative in the environment, which means that they do not break down easily and can accumulate in the food chain, posing a long-term risk to human health and the environment. Therefore, a precautionary approach is necessary to minimize the exposure and risks of PFAS. International experience and cooperation are very important for developing an effective scientifc strategy for addressing the PFAS challenge in Serbia. PFAS are a global issue, and many countries have already implemented measures to manage and reduce the exposure and risks of PFAS. Therefore, it is important to draw on international experience and best practices when developing the strategy for Serbia. International experience can provide valuable insights into the sources, pathways, and fate of PFAS, as well as the e"ectiveness of various risk management measures. For example, the United States, Canada, and some European countries have established regulatory frameworks for PFAS, which can serve as a model for Serbia. Other countries have implemented remediation measures for contaminated sites, which can provide valuable insights for selecting appropriate remediation technologies in Serbia. Moreover, international experience can provide access to the latest scientific knowledge, methods, and technologies for assessing and managing PFAS contamination. For example, international organizations such as the United Nations Environment Programme (UNEP) and the Organization for Economic Co-operation and Development (OECD) have developed guidance documents and tools for assessing and managing PFAS contamination. The scientific strategy for solving the PFAS challenge in Serbia is based on a thorough understanding of the sources, pathways, and fate of PFAS in the environment. It is also based on a comprehensive and systematic approach, including risk assessment, monitoring, regulation, remediation, and communication. This strategy is tailored to the specific context and needs of Serbia. It is based on the latest scientifc knowledge and practical experience from other countries and regions, focusing on the European Union, USA, China and Japan. The cultural, social, economic, and political factors can affect the implementation and effectiveness of the strategy, and therefore, the strategy is developed through a collaborative and participatory process involving stakeholders from different sectors and levels. The international experience provided helpful guidance and lessons learned, but ultimately, the strategy is based on local knowledge, priorities, and capacities. By implementing this strategy, we aim to contribute to that Serbia can protect its citizens and environment from the potential harm of PFAS and achieve sustainable development.
PB  - University of Belgrade – Faculty of Chemistry
T1  - Scientifc Strategy for PFAS Analysis and Bioremediation at UBFC  (2023-2033)
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6048
ER  - 

@misc{
author = "Beškoski, Vladimir and Lješević, Marija and Lončarević, Branka and Božić, Tatjana T. and Relić, Dubravka and Vujisić, Ljubodrag V. and Gruden-Pavlović, Maja and Lugonja, Nikoleta and Jiménez, Begoña and Colomer Vidal, Pere and Muñoz Arnanz, Juan and Battaglia, Fabienne and Crampon, Marc",
year = "2023",
abstract = "Per- and polyfluoroalkyl substances (PFAS) are a group of synthetic chemicals that have been widely used in various industrial and consumer products due to their unique properties, such as oil and water repellency, thermal stability, and durability. However, the persistence and mobility of these chemicals in the environment have raised concerns about their potential adverse effects on human health and the environment. PFAS have been detected on a global scale in various environmental media, such as soil, water, air, and biota. As a country undergoing economic development and transition, Serbia faces the challenge of managing and addressing the PFAS contamination in its environment. This challenge requires a comprehensive and science-based strategy that can effectively reduce the exposure and risks of PFAS to human health and the environment. This document aims to provide a scientific strategy for solving the PFAS challenge in Serbia. Firstly, it is important to acknowledge that PFAS are persistent and bioaccumulative in the environment, which means that they do not break down easily and can accumulate in the food chain, posing a long-term risk to human health and the environment. Therefore, a precautionary approach is necessary to minimize the exposure and risks of PFAS. International experience and cooperation are very important for developing an effective scientifc strategy for addressing the PFAS challenge in Serbia. PFAS are a global issue, and many countries have already implemented measures to manage and reduce the exposure and risks of PFAS. Therefore, it is important to draw on international experience and best practices when developing the strategy for Serbia. International experience can provide valuable insights into the sources, pathways, and fate of PFAS, as well as the e"ectiveness of various risk management measures. For example, the United States, Canada, and some European countries have established regulatory frameworks for PFAS, which can serve as a model for Serbia. Other countries have implemented remediation measures for contaminated sites, which can provide valuable insights for selecting appropriate remediation technologies in Serbia. Moreover, international experience can provide access to the latest scientific knowledge, methods, and technologies for assessing and managing PFAS contamination. For example, international organizations such as the United Nations Environment Programme (UNEP) and the Organization for Economic Co-operation and Development (OECD) have developed guidance documents and tools for assessing and managing PFAS contamination. The scientific strategy for solving the PFAS challenge in Serbia is based on a thorough understanding of the sources, pathways, and fate of PFAS in the environment. It is also based on a comprehensive and systematic approach, including risk assessment, monitoring, regulation, remediation, and communication. This strategy is tailored to the specific context and needs of Serbia. It is based on the latest scientifc knowledge and practical experience from other countries and regions, focusing on the European Union, USA, China and Japan. The cultural, social, economic, and political factors can affect the implementation and effectiveness of the strategy, and therefore, the strategy is developed through a collaborative and participatory process involving stakeholders from different sectors and levels. The international experience provided helpful guidance and lessons learned, but ultimately, the strategy is based on local knowledge, priorities, and capacities. By implementing this strategy, we aim to contribute to that Serbia can protect its citizens and environment from the potential harm of PFAS and achieve sustainable development.",
publisher = "University of Belgrade – Faculty of Chemistry",
title = "Scientifc Strategy for PFAS Analysis and Bioremediation at UBFC  (2023-2033)",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6048"
}

Beškoski, V., Lješević, M., Lončarević, B., Božić, T. T., Relić, D., Vujisić, L. V., Gruden-Pavlović, M., Lugonja, N., Jiménez, B., Colomer Vidal, P., Muñoz Arnanz, J., Battaglia, F.,& Crampon, M.. (2023). Scientifc Strategy for PFAS Analysis and Bioremediation at UBFC  (2023-2033). 
University of Belgrade – Faculty of Chemistry..
https://hdl.handle.net/21.15107/rcub_cherry_6048

Beškoski V, Lješević M, Lončarević B, Božić TT, Relić D, Vujisić LV, Gruden-Pavlović M, Lugonja N, Jiménez B, Colomer Vidal P, Muñoz Arnanz J, Battaglia F, Crampon M. Scientifc Strategy for PFAS Analysis and Bioremediation at UBFC  (2023-2033). 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6048 .

Beškoski, Vladimir, Lješević, Marija, Lončarević, Branka, Božić, Tatjana T., Relić, Dubravka, Vujisić, Ljubodrag V., Gruden-Pavlović, Maja, Lugonja, Nikoleta, Jiménez, Begoña, Colomer Vidal, Pere, Muñoz Arnanz, Juan, Battaglia, Fabienne, Crampon, Marc, "Scientifc Strategy for PFAS Analysis and Bioremediation at UBFC  (2023-2033)" (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6048 .

TY  - CONF
AU  - Dimitrijević, Marija
AU  - Mihajlović-Lalić, Ljiljana
AU  - Grgurić-Šipka, Sanja
AU  - Nikolić, Stefan
AU  - Petrović, Tamara
AU  - Poljarević, Jelena
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5904
AB  - Metal-based compounds are rarely good antimicrobial compounds. Here we report
synthesis, chemical characterization and antimicrobial potency of fourteen Ru(II) arene
complexes with pyridine-based ligands. The structures and purity of synthesized
compounds were confirmed using 1H and 13C NMR spectroscopy, IR spectroscopy, MS, and
EA. A micro-well dilution assay was used to determine the minimum inhibitory
concentration (MIC), and minimum bactericidal concentration. of evaluated compounds.
Streptomycin and chloramphenicol were used as a positive control. The best activity of all
tested bacteria was observed against E. coli, with a MIC value of 1.25 mg/mL, for
complexes with 2,4- i 2,5-pyridinedicarboxylic ligands. Also, all synthesized complexes
showed the same activity against C. Albicans.
AB  - Kompleksi metala retko se koriste kao potencijalni antimikrobni agensi. U ovom radu smo prikazali sintezu, hemijsku karakterizaciju i antimikrobnu aktivnost 14 arenskih Ru(II) kompleksa sa piridinskim ligandima. Strukturu i čistoću dobijenih jedinjenja potvrdili smo koristeći 1H, 13C NMR i IC spektroskopiju, MS i EA. Mikrodilucioni esej je korišćen za određivanje minimalne inhibitorne koncentracije (MIC) i minimalne baktericidne koncentracije sintetisanih jedinjenja. Streptomicin i hloramfenikol su korišćeni kao standard. Najbolja aktivnost prema ispitivanim sojevima bakterija zapažena je na soju E. coli, sa MIC vrednošću 1,25 mg/mL, kompleksa sa 2,4- i 2,5-piridindikarboksilnim ligandima. Svi sintetisani kompleksi pokazali su podjednako dobru aktivnost prema C. Albicans.
PB  - Belgrade : Serbian Chemical Society
C3  - 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia
T1  - Ru(II) arene based pyridil complexes: synthesis and antimicrobial potency
SP  - 74
EP  - 74
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5904
ER  - 

@conference{
author = "Dimitrijević, Marija and Mihajlović-Lalić, Ljiljana and Grgurić-Šipka, Sanja and Nikolić, Stefan and Petrović, Tamara and Poljarević, Jelena",
year = "2023",
abstract = "Metal-based compounds are rarely good antimicrobial compounds. Here we report
synthesis, chemical characterization and antimicrobial potency of fourteen Ru(II) arene
complexes with pyridine-based ligands. The structures and purity of synthesized
compounds were confirmed using 1H and 13C NMR spectroscopy, IR spectroscopy, MS, and
EA. A micro-well dilution assay was used to determine the minimum inhibitory
concentration (MIC), and minimum bactericidal concentration. of evaluated compounds.
Streptomycin and chloramphenicol were used as a positive control. The best activity of all
tested bacteria was observed against E. coli, with a MIC value of 1.25 mg/mL, for
complexes with 2,4- i 2,5-pyridinedicarboxylic ligands. Also, all synthesized complexes
showed the same activity against C. Albicans., Kompleksi metala retko se koriste kao potencijalni antimikrobni agensi. U ovom radu smo prikazali sintezu, hemijsku karakterizaciju i antimikrobnu aktivnost 14 arenskih Ru(II) kompleksa sa piridinskim ligandima. Strukturu i čistoću dobijenih jedinjenja potvrdili smo koristeći 1H, 13C NMR i IC spektroskopiju, MS i EA. Mikrodilucioni esej je korišćen za određivanje minimalne inhibitorne koncentracije (MIC) i minimalne baktericidne koncentracije sintetisanih jedinjenja. Streptomicin i hloramfenikol su korišćeni kao standard. Najbolja aktivnost prema ispitivanim sojevima bakterija zapažena je na soju E. coli, sa MIC vrednošću 1,25 mg/mL, kompleksa sa 2,4- i 2,5-piridindikarboksilnim ligandima. Svi sintetisani kompleksi pokazali su podjednako dobru aktivnost prema C. Albicans.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia",
title = "Ru(II) arene based pyridil complexes: synthesis and antimicrobial potency",
pages = "74-74",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5904"
}

Dimitrijević, M., Mihajlović-Lalić, L., Grgurić-Šipka, S., Nikolić, S., Petrović, T.,& Poljarević, J.. (2023). Ru(II) arene based pyridil complexes: synthesis and antimicrobial potency. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia
Belgrade : Serbian Chemical Society., 74-74.
https://hdl.handle.net/21.15107/rcub_cherry_5904

Dimitrijević M, Mihajlović-Lalić L, Grgurić-Šipka S, Nikolić S, Petrović T, Poljarević J. Ru(II) arene based pyridil complexes: synthesis and antimicrobial potency. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia. 2023;:74-74.
https://hdl.handle.net/21.15107/rcub_cherry_5904 .

Dimitrijević, Marija, Mihajlović-Lalić, Ljiljana, Grgurić-Šipka, Sanja, Nikolić, Stefan, Petrović, Tamara, Poljarević, Jelena, "Ru(II) arene based pyridil complexes: synthesis and antimicrobial potency" in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia (2023):74-74,
https://hdl.handle.net/21.15107/rcub_cherry_5904 .

TY  - JOUR
AU  - Lin, Fang
AU  - Petrovic, Predrag
AU  - Tse, Ho-Yin
AU  - Erythropel, Hanno
AU  - Lam, Jason Chun-Ho
AU  - Anastas, Paul
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6313
AB  - The electrochemical reductive cleavage of the C–O bond in the lignin α-O-4 model compound benzyl phenyl ether (BPE) at room temperature was investigated using earth-abundant nickel as a catalyst in methanol. Experiments using a divided cell setup using either NiCl2·6H2O salt or pre-deposited Ni on a carbon paper cathode (Ni/CP) under an inert atmosphere revealed the essential role of freshly and uniformly deposited Ni0 on the electrode surface for the reductive, catalytic cleavage to yield phenol and toluene. To better understand the reaction mechanism, the surface morphology and composition of the Ni/CP electrode were investigated by SEM, XRD, and XPS. Additionally, the role of methanol as a proton donor was established, and electrochemical hydrogenation/hydrogenolysis (ECH) experiments of BPE with sterically hindered substituents revealed that the reaction mechanism shares similarities with Pd/C hydrogenation/hydrogenolysis chemistry. DFT calculations further supported this mechanistic route and were consistent with the experimental observations. Based on both experimental and calculation results, a mechanism including (1) the interaction of the benzylic side of BPE with the catalyst surface, (2) adsorbed hydrogen interacting with the benzylic carbon to induce C–O bond scission, and (3) proton transfer to the phenoxy anion from the methanol was proposed.
PB  - Royal Society of Chemistry
T2  - Green Chemistry
T1  - Supportin information for the article: Lin, F.; Petrovic, P.V.; Tse, H.-Y.; Erythropel, H.; Lam, J.C.-H.; Anastas, P. Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether, Green Chem. 2023, 25, 9720-9732, DOI: https://doi.org/10.1039/D3GC01814H
VL  - 25
ER  - 

@article{
author = "Lin, Fang and Petrovic, Predrag and Tse, Ho-Yin and Erythropel, Hanno and Lam, Jason Chun-Ho and Anastas, Paul",
year = "2023",
abstract = "The electrochemical reductive cleavage of the C–O bond in the lignin α-O-4 model compound benzyl phenyl ether (BPE) at room temperature was investigated using earth-abundant nickel as a catalyst in methanol. Experiments using a divided cell setup using either NiCl2·6H2O salt or pre-deposited Ni on a carbon paper cathode (Ni/CP) under an inert atmosphere revealed the essential role of freshly and uniformly deposited Ni0 on the electrode surface for the reductive, catalytic cleavage to yield phenol and toluene. To better understand the reaction mechanism, the surface morphology and composition of the Ni/CP electrode were investigated by SEM, XRD, and XPS. Additionally, the role of methanol as a proton donor was established, and electrochemical hydrogenation/hydrogenolysis (ECH) experiments of BPE with sterically hindered substituents revealed that the reaction mechanism shares similarities with Pd/C hydrogenation/hydrogenolysis chemistry. DFT calculations further supported this mechanistic route and were consistent with the experimental observations. Based on both experimental and calculation results, a mechanism including (1) the interaction of the benzylic side of BPE with the catalyst surface, (2) adsorbed hydrogen interacting with the benzylic carbon to induce C–O bond scission, and (3) proton transfer to the phenoxy anion from the methanol was proposed.",
publisher = "Royal Society of Chemistry",
journal = "Green Chemistry",
title = "Supportin information for the article: Lin, F.; Petrovic, P.V.; Tse, H.-Y.; Erythropel, H.; Lam, J.C.-H.; Anastas, P. Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether, Green Chem. 2023, 25, 9720-9732, DOI: https://doi.org/10.1039/D3GC01814H",
volume = "25"
}

Lin, F., Petrovic, P., Tse, H., Erythropel, H., Lam, J. C.,& Anastas, P.. (2023). Supportin information for the article: Lin, F.; Petrovic, P.V.; Tse, H.-Y.; Erythropel, H.; Lam, J.C.-H.; Anastas, P. Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether, Green Chem. 2023, 25, 9720-9732, DOI: https://doi.org/10.1039/D3GC01814H. in Green Chemistry
Royal Society of Chemistry., 25.

Lin F, Petrovic P, Tse H, Erythropel H, Lam JC, Anastas P. Supportin information for the article: Lin, F.; Petrovic, P.V.; Tse, H.-Y.; Erythropel, H.; Lam, J.C.-H.; Anastas, P. Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether, Green Chem. 2023, 25, 9720-9732, DOI: https://doi.org/10.1039/D3GC01814H. in Green Chemistry. 2023;25..

Lin, Fang, Petrovic, Predrag, Tse, Ho-Yin, Erythropel, Hanno, Lam, Jason Chun-Ho, Anastas, Paul, "Supportin information for the article: Lin, F.; Petrovic, P.V.; Tse, H.-Y.; Erythropel, H.; Lam, J.C.-H.; Anastas, P. Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether, Green Chem. 2023, 25, 9720-9732, DOI: https://doi.org/10.1039/D3GC01814H" in Green Chemistry, 25 (2023).

TY  - JOUR
AU  - Muellers, Tobias
AU  - Petrovic, Predrag
AU  - Zimmerman, Julie
AU  - Anastas, Paul
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6314
AB  - An expanding web of adverse impacts on people and the environment has been steadily linked to anthropogenic chemicals and their proliferation. Central to this web are the regulatory structures intended to protect human and environmental health through the control of new molecules. Through chronically insufficient and inefficient action, the current chemical-by-chemical regulatory approach, which considers regulation at the level of chemical identity, has enabled many adverse impacts to develop and persist. Recognizing the link between fundamental physicochemical properties and hazards, we describe a new paradigm─property-based regulation. By regulating physicochemical properties, we show how governments can delineate and enforce safe chemical spaces, increasing the scalability of chemical assessments, reducing the time and resources to regulate a substance, and providing transparency for chemical designers. We highlight sparse existing property-based approaches and demonstrate their applicability using bioaccumulation as an example. Finally, we present a path to implementation in the United States, prescribing roles and steps for government, nongovernmental organizations, and industry to accelerate this transition, to the benefit of all.
PB  - American Chemical Society
T2  - Environ. Sci. Technol.
T1  - Toward Property-Based Regulation
VL  - 57
IS  - 32
SP  - 11718
EP  - 11730
DO  - 10.1021/acs.est.3c00643
ER  - 

@article{
author = "Muellers, Tobias and Petrovic, Predrag and Zimmerman, Julie and Anastas, Paul",
year = "2023",
abstract = "An expanding web of adverse impacts on people and the environment has been steadily linked to anthropogenic chemicals and their proliferation. Central to this web are the regulatory structures intended to protect human and environmental health through the control of new molecules. Through chronically insufficient and inefficient action, the current chemical-by-chemical regulatory approach, which considers regulation at the level of chemical identity, has enabled many adverse impacts to develop and persist. Recognizing the link between fundamental physicochemical properties and hazards, we describe a new paradigm─property-based regulation. By regulating physicochemical properties, we show how governments can delineate and enforce safe chemical spaces, increasing the scalability of chemical assessments, reducing the time and resources to regulate a substance, and providing transparency for chemical designers. We highlight sparse existing property-based approaches and demonstrate their applicability using bioaccumulation as an example. Finally, we present a path to implementation in the United States, prescribing roles and steps for government, nongovernmental organizations, and industry to accelerate this transition, to the benefit of all.",
publisher = "American Chemical Society",
journal = "Environ. Sci. Technol.",
title = "Toward Property-Based Regulation",
volume = "57",
number = "32",
pages = "11718-11730",
doi = "10.1021/acs.est.3c00643"
}

Muellers, T., Petrovic, P., Zimmerman, J.,& Anastas, P.. (2023). Toward Property-Based Regulation. in Environ. Sci. Technol.
American Chemical Society., 57(32), 11718-11730.
https://doi.org/10.1021/acs.est.3c00643

Muellers T, Petrovic P, Zimmerman J, Anastas P. Toward Property-Based Regulation. in Environ. Sci. Technol.. 2023;57(32):11718-11730.
doi:10.1021/acs.est.3c00643 .

Muellers, Tobias, Petrovic, Predrag, Zimmerman, Julie, Anastas, Paul, "Toward Property-Based Regulation" in Environ. Sci. Technol., 57, no. 32 (2023):11718-11730,
https://doi.org/10.1021/acs.est.3c00643 . .

TY  - JOUR
AU  - Lin, Fang
AU  - Petrovic, Predrag
AU  - Tse, Ho-Yin
AU  - Erythropel, Hanno
AU  - Lam, Jason Chun-Ho
AU  - Anastas, Paul
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6312
AB  - The electrochemical reductive cleavage of the C–O bond in the lignin α-O-4 model compound benzyl phenyl ether (BPE) at room temperature was investigated using earth-abundant nickel as a catalyst in methanol. Experiments using a divided cell setup using either NiCl2·6H2O salt or pre-deposited Ni on a carbon paper cathode (Ni/CP) under an inert atmosphere revealed the essential role of freshly and uniformly deposited Ni0 on the electrode surface for the reductive, catalytic cleavage to yield phenol and toluene. To better understand the reaction mechanism, the surface morphology and composition of the Ni/CP electrode were investigated by SEM, XRD, and XPS. Additionally, the role of methanol as a proton donor was established, and electrochemical hydrogenation/hydrogenolysis (ECH) experiments of BPE with sterically hindered substituents revealed that the reaction mechanism shares similarities with Pd/C hydrogenation/hydrogenolysis chemistry. DFT calculations further supported this mechanistic route and were consistent with the experimental observations. Based on both experimental and calculation results, a mechanism including (1) the interaction of the benzylic side of BPE with the catalyst surface, (2) adsorbed hydrogen interacting with the benzylic carbon to induce C–O bond scission, and (3) proton transfer to the phenoxy anion from the methanol was proposed.
PB  - Royal Society of Chemistry
T2  - Green Chemistry
T1  - Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether
VL  - 25
SP  - 9720
EP  - 9732
DO  - 10.1039/D3GC01814H
ER  - 

@article{
author = "Lin, Fang and Petrovic, Predrag and Tse, Ho-Yin and Erythropel, Hanno and Lam, Jason Chun-Ho and Anastas, Paul",
year = "2023",
abstract = "The electrochemical reductive cleavage of the C–O bond in the lignin α-O-4 model compound benzyl phenyl ether (BPE) at room temperature was investigated using earth-abundant nickel as a catalyst in methanol. Experiments using a divided cell setup using either NiCl2·6H2O salt or pre-deposited Ni on a carbon paper cathode (Ni/CP) under an inert atmosphere revealed the essential role of freshly and uniformly deposited Ni0 on the electrode surface for the reductive, catalytic cleavage to yield phenol and toluene. To better understand the reaction mechanism, the surface morphology and composition of the Ni/CP electrode were investigated by SEM, XRD, and XPS. Additionally, the role of methanol as a proton donor was established, and electrochemical hydrogenation/hydrogenolysis (ECH) experiments of BPE with sterically hindered substituents revealed that the reaction mechanism shares similarities with Pd/C hydrogenation/hydrogenolysis chemistry. DFT calculations further supported this mechanistic route and were consistent with the experimental observations. Based on both experimental and calculation results, a mechanism including (1) the interaction of the benzylic side of BPE with the catalyst surface, (2) adsorbed hydrogen interacting with the benzylic carbon to induce C–O bond scission, and (3) proton transfer to the phenoxy anion from the methanol was proposed.",
publisher = "Royal Society of Chemistry",
journal = "Green Chemistry",
title = "Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether",
volume = "25",
pages = "9720-9732",
doi = "10.1039/D3GC01814H"
}

Lin, F., Petrovic, P., Tse, H., Erythropel, H., Lam, J. C.,& Anastas, P.. (2023). Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether. in Green Chemistry
Royal Society of Chemistry., 25, 9720-9732.
https://doi.org/10.1039/D3GC01814H

Lin F, Petrovic P, Tse H, Erythropel H, Lam JC, Anastas P. Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether. in Green Chemistry. 2023;25:9720-9732.
doi:10.1039/D3GC01814H .

Lin, Fang, Petrovic, Predrag, Tse, Ho-Yin, Erythropel, Hanno, Lam, Jason Chun-Ho, Anastas, Paul, "Mechanistic investigation of a Ni-catalyzed electrochemical reductive cleavage of the α-O-4 bond in the lignin model compound benzyl phenyl ether" in Green Chemistry, 25 (2023):9720-9732,
https://doi.org/10.1039/D3GC01814H . .

TY  - CONF
AU  - Ristić, Predrag
AU  - Višnjevac, Aleksandar
AU  - Araškov, Jovana
AU  - Filipović, Nenad
AU  - Todorović, Tamara
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6004
AB  - Због своје могућности да оствари координационе бројеве од 2 до 9, високе биодоступност и афинитета према N, O, S-донорским атомима, Zn(II) се користи за синтезе комплекса у циљу њихове специфичне примене. У Кембричкој структурној бази података је депоновано само осам кристалних структура комплекса Zn(II), Cd(II) и Co(III) са 
N-хетероароматичним 1,3-селеназолил-хидразонским лигандима. У овом раду је  фокус био на кристалној структури комплекса Zn(II) са лигандом HLSe2 (2-Cl-Se; Слика 1). Молекулска и кристална структура новог комплекса 2-Cl-Se је упоређена са претходно објављеним Zn(II) комплексом са лигандом HLS2 (2-Cl), структурним аналогом лиганда HLSe2 [1]. Праћен утицај изостерне S/Se замене на топологију и енергетску дистрибуцију интермолекулских интеракција у Zn(II) комплексима са 1,3-селеназолил/тиазолил-хидразонима на бази пиридина.
AB  - Due to its ability to achieve coordination numbers from 2 to 9, high bioavail-ability, and affinity to N, O, and S-donor atoms, Zn(II) is used for the syn-thesis of complexes with the aim of their specific application. Only eight crystal structures of Zn(II), Cd(II), and Co(III) complexes with N-heteroaromatic 1,3-selenazolyl-hydrazone ligands are deposited in the Cam-bridge Structural Database. This work focused on the crystal structure of the Zn(II) complex with the HLSe2 ligand (2-Cl-Se; Figure 1). The molecular and crystal structure of the new 2-Cl-Se complex was compared with the previ-ously published Zn(II) complex with the HLS2 ligand (2-Cl), a structural analog of the HLSe2 ligand [1]. The influence of isosteric S/Se substitution on the topology and energy distribution of intermolecular interactions in Zn(II) complexes with pyridine-based 1,3-selenazolyl/thiazolyl-hydrazones was monitored [1].
PB  - Belgrade : Serbian Crystallographic Society
C3  - 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
T1  - Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6004
ER  - 

@conference{
author = "Ristić, Predrag and Višnjevac, Aleksandar and Araškov, Jovana and Filipović, Nenad and Todorović, Tamara",
year = "2023",
abstract = "Због своје могућности да оствари координационе бројеве од 2 до 9, високе биодоступност и афинитета према N, O, S-донорским атомима, Zn(II) се користи за синтезе комплекса у циљу њихове специфичне примене. У Кембричкој структурној бази података је депоновано само осам кристалних структура комплекса Zn(II), Cd(II) и Co(III) са 
N-хетероароматичним 1,3-селеназолил-хидразонским лигандима. У овом раду је  фокус био на кристалној структури комплекса Zn(II) са лигандом HLSe2 (2-Cl-Se; Слика 1). Молекулска и кристална структура новог комплекса 2-Cl-Se је упоређена са претходно објављеним Zn(II) комплексом са лигандом HLS2 (2-Cl), структурним аналогом лиганда HLSe2 [1]. Праћен утицај изостерне S/Se замене на топологију и енергетску дистрибуцију интермолекулских интеракција у Zn(II) комплексима са 1,3-селеназолил/тиазолил-хидразонима на бази пиридина., Due to its ability to achieve coordination numbers from 2 to 9, high bioavail-ability, and affinity to N, O, and S-donor atoms, Zn(II) is used for the syn-thesis of complexes with the aim of their specific application. Only eight crystal structures of Zn(II), Cd(II), and Co(III) complexes with N-heteroaromatic 1,3-selenazolyl-hydrazone ligands are deposited in the Cam-bridge Structural Database. This work focused on the crystal structure of the Zn(II) complex with the HLSe2 ligand (2-Cl-Se; Figure 1). The molecular and crystal structure of the new 2-Cl-Se complex was compared with the previ-ously published Zn(II) complex with the HLS2 ligand (2-Cl), a structural analog of the HLSe2 ligand [1]. The influence of isosteric S/Se substitution on the topology and energy distribution of intermolecular interactions in Zn(II) complexes with pyridine-based 1,3-selenazolyl/thiazolyl-hydrazones was monitored [1].",
publisher = "Belgrade : Serbian Crystallographic Society",
journal = "28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023",
title = "Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6004"
}

Ristić, P., Višnjevac, A., Araškov, J., Filipović, N.,& Todorović, T.. (2023). Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
Belgrade : Serbian Crystallographic Society..
https://hdl.handle.net/21.15107/rcub_cherry_6004

Ristić P, Višnjevac A, Araškov J, Filipović N, Todorović T. Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6004 .

Ristić, Predrag, Višnjevac, Aleksandar, Araškov, Jovana, Filipović, Nenad, Todorović, Tamara, "Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone" in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6004 .

TY  - CONF
AU  - Araškov, Jovana
AU  - Ristić, Predrag
AU  - Višnjevac, Aleksandar
AU  - López-de-Luzuriaga, Jose Marija
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6005
AB  - Јефтина, нискотоксична координациона једињења Zn(II) представљају обећавајуће кандидате за различите примене, укључујући фотолуминесцентне материјале. У овом раду су представљена два комплекса Zn(II) са хидразонил-тиазолским лигандима на бази пиридина (HLS1 и HLS2), који су синтетсани директном реакцијом лиганaда и Zn(CH3COO)2∙2H2O. Пентануклеарни комплекс [Zn5(HLS1)4(CH3COO)6] (1-AcO; Слика 1) кристалише у моноклиничној P21/n просторној групи са половином молекула по асиметричној јединици, при чему се централни јон Zn(II) налази на центру инверзије (Викофово слово c). Мононуклеарни комплекс [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Слика 2) кристалише у триклиничној P¬–1 просторној групи са једним молекулом по асиметричној јединици. Експеримент дифракције X-зрака са узорка праха je потврдио да су добијени једнофазни производи. Урађена је детаљна анализа типова и енергетске дистрибуције интермолекулских интеракција. Симетричан комплекс 1-AcO није фотолуминесцентан, за разлику од комплекса 2-AcO. Квантно-механички прорачуни теорије функционала густине (DFT) и временски зависне теорије функционала густине (TD-DFT) су расветлили порекло фотолуминесцентних својстава комплекса 2-AcO.
AB  - Inexpensive, low-toxic Zn(II) coordination compounds are represent promising candidates for various applications, including photoluminescent materials. In this study we report two zinc(II) complexes with thiazolyl-hydrazone-based ligands (HLS1 and HLS2), which were synthesized by direct reaction of the ligands with Zn(CH3COO)2∙2H2O. Pentanuclear complex [Zn5(HLS1)4(CH3COO)6] (1-AcO; Figure 1) crystalizes in monoclinic P21/n space group with half of the molecule in the asymmetric unit, where Zn3 atoms lie at inversion center (Wyckoff letter c). Mononuclear [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Figure 2) crystalizes in triclinic P‒1 space group with one molecule in the asymmetric unit (Figure 2). Powder X-ray diffraction experiments confirmed that single-phase products were obtained. A detailed analysis of types and energy distribution of intermolecular interactions was performed. The symmetrical 1-AcO does not exhibit photophysical properties, unlike asymmetrical 2-AcO. Quantum-mechanical calculations of density functional theory (DFT) and time-dependent DFT provided insight into origin of the photoluminescent properties of 2-AcO.
PB  - Belgrade : Serbian Crystallographic Society
C3  - 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
T1  - Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6005
ER  - 

@conference{
author = "Araškov, Jovana and Ristić, Predrag and Višnjevac, Aleksandar and López-de-Luzuriaga, Jose Marija",
year = "2023",
abstract = "Јефтина, нискотоксична координациона једињења Zn(II) представљају обећавајуће кандидате за различите примене, укључујући фотолуминесцентне материјале. У овом раду су представљена два комплекса Zn(II) са хидразонил-тиазолским лигандима на бази пиридина (HLS1 и HLS2), који су синтетсани директном реакцијом лиганaда и Zn(CH3COO)2∙2H2O. Пентануклеарни комплекс [Zn5(HLS1)4(CH3COO)6] (1-AcO; Слика 1) кристалише у моноклиничној P21/n просторној групи са половином молекула по асиметричној јединици, при чему се централни јон Zn(II) налази на центру инверзије (Викофово слово c). Мононуклеарни комплекс [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Слика 2) кристалише у триклиничној P¬–1 просторној групи са једним молекулом по асиметричној јединици. Експеримент дифракције X-зрака са узорка праха je потврдио да су добијени једнофазни производи. Урађена је детаљна анализа типова и енергетске дистрибуције интермолекулских интеракција. Симетричан комплекс 1-AcO није фотолуминесцентан, за разлику од комплекса 2-AcO. Квантно-механички прорачуни теорије функционала густине (DFT) и временски зависне теорије функционала густине (TD-DFT) су расветлили порекло фотолуминесцентних својстава комплекса 2-AcO., Inexpensive, low-toxic Zn(II) coordination compounds are represent promising candidates for various applications, including photoluminescent materials. In this study we report two zinc(II) complexes with thiazolyl-hydrazone-based ligands (HLS1 and HLS2), which were synthesized by direct reaction of the ligands with Zn(CH3COO)2∙2H2O. Pentanuclear complex [Zn5(HLS1)4(CH3COO)6] (1-AcO; Figure 1) crystalizes in monoclinic P21/n space group with half of the molecule in the asymmetric unit, where Zn3 atoms lie at inversion center (Wyckoff letter c). Mononuclear [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Figure 2) crystalizes in triclinic P‒1 space group with one molecule in the asymmetric unit (Figure 2). Powder X-ray diffraction experiments confirmed that single-phase products were obtained. A detailed analysis of types and energy distribution of intermolecular interactions was performed. The symmetrical 1-AcO does not exhibit photophysical properties, unlike asymmetrical 2-AcO. Quantum-mechanical calculations of density functional theory (DFT) and time-dependent DFT provided insight into origin of the photoluminescent properties of 2-AcO.",
publisher = "Belgrade : Serbian Crystallographic Society",
journal = "28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023",
title = "Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6005"
}

Araškov, J., Ristić, P., Višnjevac, A.,& López-de-Luzuriaga, J. M.. (2023). Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
Belgrade : Serbian Crystallographic Society..
https://hdl.handle.net/21.15107/rcub_cherry_6005

Araškov J, Ristić P, Višnjevac A, López-de-Luzuriaga JM. Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6005 .

Araškov, Jovana, Ristić, Predrag, Višnjevac, Aleksandar, López-de-Luzuriaga, Jose Marija, "Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study" in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6005 .