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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

TY  - CONF
AU  - Malenov, Dušan P.
AU  - (Andrić) Živković, Jelena
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6368
AB  - Hydrogen bond is arguably the most famous of all noncovalent interactions. The majority of contacts between water molecules in the solid state are hydrogen bonds, with a substantial number of antiparallel dipolar interactions as well.1 The crystallographic and quantum chemical studies have shown that the strength of hydrogen bonds of water can be increased by metal coordination.2,3 These previous studies considered coordinated water as hydrogen bond donor. In this study, we wanted to investigate the possibility of coordinated water acting as hydrogen bond acceptor.  The Cambridge Structural Database (CSD) search yielded 1229 hydrogen bonds between coordinated water as hydrogen bond acceptor and uncoordinated water as hydrogen bond donor. These hydrogen bonds are somewhat longer and less directional than hydrogen bonds with donor coordinated water. The strength of these hydrogen bonds was evaluated at the B97D/def2-TZVP level of theory, both on the structures found in the CSD, as well as on the model systems. The obtained energies cover a wide range of values (Figure 1), depending on the charge of the complex, and they can be comparable to the energy of hydrogen bond between two uncoordinated water molecules (-4.84 kcal/mol),2 or even significantly more favorable if the complex is negatively charged. If the complex is positively charged, these interactions are repulsive (Figure 1), but they are still frequently encountered (444 interactions in crystal structures), simultaneously with other (attractive) interactions.  The strength of interactions shows dependence on the orientation of both hydrogen atoms of uncoordinated water, and it is in general greatly influenced by additional contacts of uncoordinated water with neighboring ligands of the metal complex. Even though it is difficult to estimate how strong these interactions are alone, the calculated interaction energies suggest that coordinated water is a better hydrogen bond donor than hydrogen bond acceptor. However, coordinated water acting as hydrogen bond acceptor gives more opportunities for additional interactions, making the supramolecular systems containing studied hydrogen bonds more stable.
C3  - The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023.
T1  - Can Coordinated Water Be a Good Hydrogen Bond Acceptor?
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6368
ER  - 

@conference{
author = "Malenov, Dušan P. and (Andrić) Živković, Jelena and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana",
year = "2023",
abstract = "Hydrogen bond is arguably the most famous of all noncovalent interactions. The majority of contacts between water molecules in the solid state are hydrogen bonds, with a substantial number of antiparallel dipolar interactions as well.1 The crystallographic and quantum chemical studies have shown that the strength of hydrogen bonds of water can be increased by metal coordination.2,3 These previous studies considered coordinated water as hydrogen bond donor. In this study, we wanted to investigate the possibility of coordinated water acting as hydrogen bond acceptor.  The Cambridge Structural Database (CSD) search yielded 1229 hydrogen bonds between coordinated water as hydrogen bond acceptor and uncoordinated water as hydrogen bond donor. These hydrogen bonds are somewhat longer and less directional than hydrogen bonds with donor coordinated water. The strength of these hydrogen bonds was evaluated at the B97D/def2-TZVP level of theory, both on the structures found in the CSD, as well as on the model systems. The obtained energies cover a wide range of values (Figure 1), depending on the charge of the complex, and they can be comparable to the energy of hydrogen bond between two uncoordinated water molecules (-4.84 kcal/mol),2 or even significantly more favorable if the complex is negatively charged. If the complex is positively charged, these interactions are repulsive (Figure 1), but they are still frequently encountered (444 interactions in crystal structures), simultaneously with other (attractive) interactions.  The strength of interactions shows dependence on the orientation of both hydrogen atoms of uncoordinated water, and it is in general greatly influenced by additional contacts of uncoordinated water with neighboring ligands of the metal complex. Even though it is difficult to estimate how strong these interactions are alone, the calculated interaction energies suggest that coordinated water is a better hydrogen bond donor than hydrogen bond acceptor. However, coordinated water acting as hydrogen bond acceptor gives more opportunities for additional interactions, making the supramolecular systems containing studied hydrogen bonds more stable.",
journal = "The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023.",
title = "Can Coordinated Water Be a Good Hydrogen Bond Acceptor?",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6368"
}

Malenov, D. P., (Andrić) Živković, J., Vojislavljević-Vasilev, D.,& Zarić, S.. (2023). Can Coordinated Water Be a Good Hydrogen Bond Acceptor?. in The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023..
https://hdl.handle.net/21.15107/rcub_cherry_6368

Malenov DP, (Andrić) Živković J, Vojislavljević-Vasilev D, Zarić S. Can Coordinated Water Be a Good Hydrogen Bond Acceptor?. in The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023.. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6368 .

Malenov, Dušan P., (Andrić) Živković, Jelena, Vojislavljević-Vasilev, Dubravka, Zarić, Snežana, "Can Coordinated Water Be a Good Hydrogen Bond Acceptor?" in The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023. (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6368 .

TY  - CONF
AU  - Malenov, Dušan P.
AU  - (Andrić) Živković, Jelena
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana
PY  - 2023
UR  - https://physics.mff.cuni.cz/kchfo/MIB23/doc/BoA_final.pdf
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6367
C3  - Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023
T1  - Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6367
ER  - 

@conference{
author = "Malenov, Dušan P. and (Andrić) Živković, Jelena and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana",
year = "2023",
journal = "Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023",
title = "Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6367"
}

Malenov, D. P., (Andrić) Živković, J., Vojislavljević-Vasilev, D.,& Zarić, S.. (2023). Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study. in Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023.
https://hdl.handle.net/21.15107/rcub_cherry_6367

Malenov DP, (Andrić) Živković J, Vojislavljević-Vasilev D, Zarić S. Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study. in Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6367 .

Malenov, Dušan P., (Andrić) Živković, Jelena, Vojislavljević-Vasilev, Dubravka, Zarić, Snežana, "Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study" in Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6367 .

TY  - CONF
AU  - Malenov, Dušan P.
AU  - Ćeranić, Katarina
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6363
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Modeling ion-π interactions of transition metal complexes
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6363
ER  - 

@conference{
author = "Malenov, Dušan P. and Ćeranić, Katarina and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana",
year = "2023",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Modeling ion-π interactions of transition metal complexes",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6363"
}

Malenov, D. P., Ćeranić, K., Vojislavljević-Vasilev, D.,& Zarić, S.. (2023). Modeling ion-π interactions of transition metal complexes. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023.
https://hdl.handle.net/21.15107/rcub_cherry_6363

Malenov DP, Ćeranić K, Vojislavljević-Vasilev D, Zarić S. Modeling ion-π interactions of transition metal complexes. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6363 .

Malenov, Dušan P., Ćeranić, Katarina, Vojislavljević-Vasilev, Dubravka, Zarić, Snežana, "Modeling ion-π interactions of transition metal complexes" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6363 .

TY  - CONF
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6344
AB  - The interactions of noncoordinated water or ammonia molecules with aromatic rings, as well as coordintaed water or coordinated ammonia molecules with aromatic rings have been investigated by searching the Cambridge Structural Database (CSD) and through quantum-chemical calculations. The data from the CSD show that for noncoordinated systems distances between the interacting fragments are the shortest in case of negative C6-aromatic groups and the longest in case of positive C6-aromatic groups. In case of contacts between coordinated water or ammonia molecules and C6-aromatic group, oppositely charged fragments are mutually closer than the neutral fragments. The DFT calculations for the water/benzene system yield an interaction energy of -2.97 kcal/mol, while for the [Zn(H2O)6]2+/C6H6 system the interaction energy is -14.72 kcal/mol. For the ammonia/benzene system, the DFT calculations yield an interaction energy of -2.28 kcal/mol, while for the [Zn(NH3)6]2+/C6H6 system it is -15.50 kcal/mol. The results show that there is an influence of water or ammonia coordination on OH/π or NH/π interactions; the interactions of coordinated species are significantly stronger. OH/π and NH/π interactions are comparable in both cases. OH/π interactions are slightly stronger than NH/π interactions in case of noncoordinated molecules due to higher partially positive charge on hydrogen atom of the water molecule, but this is not necessarily the case for the coordinated molecules due to additional interactions that can occur between the benzene ring and the other ligands present in the complex.
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Influence of Coordination on OH/π and NH/π Interactions
DO  - 10.46793/ICCBI23.649BF
ER  - 

@conference{
author = "Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D.",
year = "2023",
abstract = "The interactions of noncoordinated water or ammonia molecules with aromatic rings, as well as coordintaed water or coordinated ammonia molecules with aromatic rings have been investigated by searching the Cambridge Structural Database (CSD) and through quantum-chemical calculations. The data from the CSD show that for noncoordinated systems distances between the interacting fragments are the shortest in case of negative C6-aromatic groups and the longest in case of positive C6-aromatic groups. In case of contacts between coordinated water or ammonia molecules and C6-aromatic group, oppositely charged fragments are mutually closer than the neutral fragments. The DFT calculations for the water/benzene system yield an interaction energy of -2.97 kcal/mol, while for the [Zn(H2O)6]2+/C6H6 system the interaction energy is -14.72 kcal/mol. For the ammonia/benzene system, the DFT calculations yield an interaction energy of -2.28 kcal/mol, while for the [Zn(NH3)6]2+/C6H6 system it is -15.50 kcal/mol. The results show that there is an influence of water or ammonia coordination on OH/π or NH/π interactions; the interactions of coordinated species are significantly stronger. OH/π and NH/π interactions are comparable in both cases. OH/π interactions are slightly stronger than NH/π interactions in case of noncoordinated molecules due to higher partially positive charge on hydrogen atom of the water molecule, but this is not necessarily the case for the coordinated molecules due to additional interactions that can occur between the benzene ring and the other ligands present in the complex.",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Influence of Coordination on OH/π and NH/π Interactions",
doi = "10.46793/ICCBI23.649BF"
}

Blagojević Filipović, J. P., Vojislavljević-Vasilev, D.,& Zarić, S. D.. (2023). Influence of Coordination on OH/π and NH/π Interactions. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023.
https://doi.org/10.46793/ICCBI23.649BF

Blagojević Filipović JP, Vojislavljević-Vasilev D, Zarić SD. Influence of Coordination on OH/π and NH/π Interactions. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;.
doi:10.46793/ICCBI23.649BF .

Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., "Influence of Coordination on OH/π and NH/π Interactions" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023),
https://doi.org/10.46793/ICCBI23.649BF . .

TY  - JOUR
AU  - Slavić, Marinela Šokarda
AU  - Kojić, Milan
AU  - Margetić, Aleksandra
AU  - Stanisavljević, Nemanja S.
AU  - Gardijan, Lazar
AU  - Božić, Nataša
AU  - Vujčić, Zoran
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6351
AB  - α-Amylase from the thermophilic bacterial strain Anoxybacillus vranjensis ST4 (AVA) was cloned into the pMALc5HisEk expression vector and successfully expressed and purified from the Escherichia coli ER2523 host strain. AVA belongs to the GH13_5 subfamily of glycoside hydrolases and has 7 conserved sequence regions (CSRs) distributed in three distinct domains (A, B, C). In addition, there is a starch binding domain (SBD) from the CBM20 family of carbohydrate binding modules (CBMs). AVA is a monomer of 66 kDa that achieves maximum activity at 60–80 °C and is active and stable over a wide pH range (4.0–9.0). AVA retained 50 % of its activity after 31 h of incubation at 60 °C and was resistant to a large number of denaturing agents. It hydrolyzed starch granules very efficiently, releasing maltose, maltotriose and maltopentaose as the main products. The hydrolysis rates of raw corn, wheat, horseradish, and potato starch, at a concentration of 10 %, were 87.8, 85.9, 93.0, and 58 %, respectively, at pH 8.5 over a 3 h period. This study showed that the high level of expression as well as the properties of this highly stable and versatile enzyme show all the prerequisites for successful application in industry.
PB  - Elsevier
T2  - International Journal of Biological Macromolecules
T1  - Highly stable and versatile α-amylase from Anoxybacillus vranjensis ST4 suitable for various applications
VL  - 249
SP  - 126055
DO  - 10.1016/j.ijbiomac.2023.126055
ER  - 

@article{
author = "Slavić, Marinela Šokarda and Kojić, Milan and Margetić, Aleksandra and Stanisavljević, Nemanja S. and Gardijan, Lazar and Božić, Nataša and Vujčić, Zoran",
year = "2023",
abstract = "α-Amylase from the thermophilic bacterial strain Anoxybacillus vranjensis ST4 (AVA) was cloned into the pMALc5HisEk expression vector and successfully expressed and purified from the Escherichia coli ER2523 host strain. AVA belongs to the GH13_5 subfamily of glycoside hydrolases and has 7 conserved sequence regions (CSRs) distributed in three distinct domains (A, B, C). In addition, there is a starch binding domain (SBD) from the CBM20 family of carbohydrate binding modules (CBMs). AVA is a monomer of 66 kDa that achieves maximum activity at 60–80 °C and is active and stable over a wide pH range (4.0–9.0). AVA retained 50 % of its activity after 31 h of incubation at 60 °C and was resistant to a large number of denaturing agents. It hydrolyzed starch granules very efficiently, releasing maltose, maltotriose and maltopentaose as the main products. The hydrolysis rates of raw corn, wheat, horseradish, and potato starch, at a concentration of 10 %, were 87.8, 85.9, 93.0, and 58 %, respectively, at pH 8.5 over a 3 h period. This study showed that the high level of expression as well as the properties of this highly stable and versatile enzyme show all the prerequisites for successful application in industry.",
publisher = "Elsevier",
journal = "International Journal of Biological Macromolecules",
title = "Highly stable and versatile α-amylase from Anoxybacillus vranjensis ST4 suitable for various applications",
volume = "249",
pages = "126055",
doi = "10.1016/j.ijbiomac.2023.126055"
}

Slavić, M. Š., Kojić, M., Margetić, A., Stanisavljević, N. S., Gardijan, L., Božić, N.,& Vujčić, Z.. (2023). Highly stable and versatile α-amylase from Anoxybacillus vranjensis ST4 suitable for various applications. in International Journal of Biological Macromolecules
Elsevier., 249, 126055.
https://doi.org/10.1016/j.ijbiomac.2023.126055

Slavić MŠ, Kojić M, Margetić A, Stanisavljević NS, Gardijan L, Božić N, Vujčić Z. Highly stable and versatile α-amylase from Anoxybacillus vranjensis ST4 suitable for various applications. in International Journal of Biological Macromolecules. 2023;249:126055.
doi:10.1016/j.ijbiomac.2023.126055 .

Slavić, Marinela Šokarda, Kojić, Milan, Margetić, Aleksandra, Stanisavljević, Nemanja S., Gardijan, Lazar, Božić, Nataša, Vujčić, Zoran, "Highly stable and versatile α-amylase from Anoxybacillus vranjensis ST4 suitable for various applications" in International Journal of Biological Macromolecules, 249 (2023):126055,
https://doi.org/10.1016/j.ijbiomac.2023.126055 . .

TY  - JOUR
AU  - Embirsh, Hifa Salah Adeen
AU  - Stajčić, Ivana
AU  - Gržetić, Jelena
AU  - Mladenović, Ivana O.
AU  - Anđelković, Boban
AU  - Marinković, Aleksandar
AU  - Vuksanović, Marija M.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6370
AB  - This paper presents sustainable technology for environmentally friendly composite production. Biobased unsaturated polyester resin (b-UPR), synthesized from waste polyethylene terephthalate (PET) glycosylate and renewable origin maleic anhydride (MAnh) and propylene glycol (PG), was reinforced with unmodified and vinyl-modified biosilica nanoparticles obtained from rice husk. The structural and morphological properties of the obtained particles, b-UPR, as well as composites, were characterized by Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) techniques. The study of the influence of biosilica modification on the mechanical properties of composites was supported by hardness modeling. Improvement of the tensile strength of the b-UPR-based composite at 2.5 wt.% addition of biosilica modified with vinyl silane, named “b-UPR/SiO2-V” composite, has been achieved with 88% increase. The thermal aging process applied to the b-UPR/SiO2-V composite, which simulates use over the product’s lifetime, leads to the deterioration of composites that were used as fillers in commercial unsaturated polyester resin (c-UPR). The grinded artificially aged b-UPR composites were used as filler in c-UPR for the production of a table top layer with outstanding mechanical properties, i.e., impact resistance and microhardness, as well as fire resistance rated in the V-0 category according to the UL-94 test. Developing sustainable composites that are chemically synthesized from renewable sources is important from the aspect of preserving the environment and existing resources as well as the extending their life cycle.
PB  - MDPI
T2  - Polymers
T1  - Synthesis, Characterization and Application of Biobased Unsaturated Polyester Resin Reinforced with Unmodified/Modified Biosilica Nanoparticles
VL  - 15
IS  - 18
SP  - 3756
DO  - 10.3390/polym15183756
ER  - 

@article{
author = "Embirsh, Hifa Salah Adeen and Stajčić, Ivana and Gržetić, Jelena and Mladenović, Ivana O. and Anđelković, Boban and Marinković, Aleksandar and Vuksanović, Marija M.",
year = "2023",
abstract = "This paper presents sustainable technology for environmentally friendly composite production. Biobased unsaturated polyester resin (b-UPR), synthesized from waste polyethylene terephthalate (PET) glycosylate and renewable origin maleic anhydride (MAnh) and propylene glycol (PG), was reinforced with unmodified and vinyl-modified biosilica nanoparticles obtained from rice husk. The structural and morphological properties of the obtained particles, b-UPR, as well as composites, were characterized by Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) techniques. The study of the influence of biosilica modification on the mechanical properties of composites was supported by hardness modeling. Improvement of the tensile strength of the b-UPR-based composite at 2.5 wt.% addition of biosilica modified with vinyl silane, named “b-UPR/SiO2-V” composite, has been achieved with 88% increase. The thermal aging process applied to the b-UPR/SiO2-V composite, which simulates use over the product’s lifetime, leads to the deterioration of composites that were used as fillers in commercial unsaturated polyester resin (c-UPR). The grinded artificially aged b-UPR composites were used as filler in c-UPR for the production of a table top layer with outstanding mechanical properties, i.e., impact resistance and microhardness, as well as fire resistance rated in the V-0 category according to the UL-94 test. Developing sustainable composites that are chemically synthesized from renewable sources is important from the aspect of preserving the environment and existing resources as well as the extending their life cycle.",
publisher = "MDPI",
journal = "Polymers",
title = "Synthesis, Characterization and Application of Biobased Unsaturated Polyester Resin Reinforced with Unmodified/Modified Biosilica Nanoparticles",
volume = "15",
number = "18",
pages = "3756",
doi = "10.3390/polym15183756"
}

Embirsh, H. S. A., Stajčić, I., Gržetić, J., Mladenović, I. O., Anđelković, B., Marinković, A.,& Vuksanović, M. M.. (2023). Synthesis, Characterization and Application of Biobased Unsaturated Polyester Resin Reinforced with Unmodified/Modified Biosilica Nanoparticles. in Polymers
MDPI., 15(18), 3756.
https://doi.org/10.3390/polym15183756

Embirsh HSA, Stajčić I, Gržetić J, Mladenović IO, Anđelković B, Marinković A, Vuksanović MM. Synthesis, Characterization and Application of Biobased Unsaturated Polyester Resin Reinforced with Unmodified/Modified Biosilica Nanoparticles. in Polymers. 2023;15(18):3756.
doi:10.3390/polym15183756 .

Embirsh, Hifa Salah Adeen, Stajčić, Ivana, Gržetić, Jelena, Mladenović, Ivana O., Anđelković, Boban, Marinković, Aleksandar, Vuksanović, Marija M., "Synthesis, Characterization and Application of Biobased Unsaturated Polyester Resin Reinforced with Unmodified/Modified Biosilica Nanoparticles" in Polymers, 15, no. 18 (2023):3756,
https://doi.org/10.3390/polym15183756 . .

TY  - JOUR
AU  - Međedović, Milica
AU  - Mijatović, Aleksandar
AU  - Baošić, Rada
AU  - Lazić, Dejan
AU  - Milanović, Žiko
AU  - Marković, Zoran
AU  - Milovanović, Jelena
AU  - Arsenijević, Dragana
AU  - Stojanović, Bojana
AU  - Arsenijević, Miloš
AU  - Milovanović, Marija
AU  - Petrović, Biljana
AU  - Simović, Ana Rilak
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6353
AB  - In order to discover new anticancer drugs, novel ruthenium(III) complexes [Ru(L)Cl(H2O)], where L is tetradentate Schiff base bis(acetylacetone)ethylendiimine (acacen, 1), bis(benzoylacetone)ethylendiimine (bzacen, 2), (acetylacetone)(benzoylaceton)ethylendiimine (acacbzacen, 3), bis(acetylacetone)propylendiimine (acacpn, 4), bis(benzoylacetone)propylendiimine (bzacpn, 5) or (acetylacetone)(benzoylaceton)propylendiimine (acacbzacpn, 6), were synthesized. The complexes 1 – 6 were characterized by elemental analysis, molar conductometry, and by various spectroscopic techniques, such as UV–Vis, IR, EPR, and ESI-MS. Based on in vitro DNA/BSA experiments, complexes 2 (bzacen) and 5 (bzacpn) with two aromatic rings showed the highest DNA/BSA-activity, suggesting that the presence of the aromatic ring on the tetradentate Schiff base ligand contributes to increased activity. Moreover, these two compounds showed the highest cytotoxic effects toward human, A549 and murine LLC1 lung cancer cells. These complexes altered the ratio of anti- and pro-apoptotic molecules and induced apoptosis of A549 cells. Further, complexes 2 and 5 reduced the percentage of Mcl1 and Bcl2 expressing LLC1 cells, induced their apoptotic death and exerted an antiproliferative effect against LLC1. Finally, complex 5 reduced the volume of mouse primary heterotopic Lewis lung cancer, while complex 2 reduced the incidence and mean number of metastases per lung. Additionally, molecular docking with DNA revealed that the reduced number of aromatic rings or their absence causes lower intercalative properties of the complexes in order: 2 > 5 > 6 > 3 > 4 > 1. It was observed that conventional hydrogen bonds and hydrophobic interactions contribute to the stabilization of the structures of complex-DNA. A molecular docking study with BSA revealed a predominance of 1 – 6 in binding affinity to the active site III, a third D-shaped hydrophobic pocket within subdomain IB.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Synthesis, characterization, biomolecular interactions, molecular docking, and in vitro and in vivo anticancer activities of novel ruthenium(III) Schiff base complexes
VL  - 248
SP  - 112363
DO  - 10.1016/j.jinorgbio.2023.112363
ER  - 

@article{
author = "Međedović, Milica and Mijatović, Aleksandar and Baošić, Rada and Lazić, Dejan and Milanović, Žiko and Marković, Zoran and Milovanović, Jelena and Arsenijević, Dragana and Stojanović, Bojana and Arsenijević, Miloš and Milovanović, Marija and Petrović, Biljana and Simović, Ana Rilak",
year = "2023",
abstract = "In order to discover new anticancer drugs, novel ruthenium(III) complexes [Ru(L)Cl(H2O)], where L is tetradentate Schiff base bis(acetylacetone)ethylendiimine (acacen, 1), bis(benzoylacetone)ethylendiimine (bzacen, 2), (acetylacetone)(benzoylaceton)ethylendiimine (acacbzacen, 3), bis(acetylacetone)propylendiimine (acacpn, 4), bis(benzoylacetone)propylendiimine (bzacpn, 5) or (acetylacetone)(benzoylaceton)propylendiimine (acacbzacpn, 6), were synthesized. The complexes 1 – 6 were characterized by elemental analysis, molar conductometry, and by various spectroscopic techniques, such as UV–Vis, IR, EPR, and ESI-MS. Based on in vitro DNA/BSA experiments, complexes 2 (bzacen) and 5 (bzacpn) with two aromatic rings showed the highest DNA/BSA-activity, suggesting that the presence of the aromatic ring on the tetradentate Schiff base ligand contributes to increased activity. Moreover, these two compounds showed the highest cytotoxic effects toward human, A549 and murine LLC1 lung cancer cells. These complexes altered the ratio of anti- and pro-apoptotic molecules and induced apoptosis of A549 cells. Further, complexes 2 and 5 reduced the percentage of Mcl1 and Bcl2 expressing LLC1 cells, induced their apoptotic death and exerted an antiproliferative effect against LLC1. Finally, complex 5 reduced the volume of mouse primary heterotopic Lewis lung cancer, while complex 2 reduced the incidence and mean number of metastases per lung. Additionally, molecular docking with DNA revealed that the reduced number of aromatic rings or their absence causes lower intercalative properties of the complexes in order: 2 > 5 > 6 > 3 > 4 > 1. It was observed that conventional hydrogen bonds and hydrophobic interactions contribute to the stabilization of the structures of complex-DNA. A molecular docking study with BSA revealed a predominance of 1 – 6 in binding affinity to the active site III, a third D-shaped hydrophobic pocket within subdomain IB.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Synthesis, characterization, biomolecular interactions, molecular docking, and in vitro and in vivo anticancer activities of novel ruthenium(III) Schiff base complexes",
volume = "248",
pages = "112363",
doi = "10.1016/j.jinorgbio.2023.112363"
}

Međedović, M., Mijatović, A., Baošić, R., Lazić, D., Milanović, Ž., Marković, Z., Milovanović, J., Arsenijević, D., Stojanović, B., Arsenijević, M., Milovanović, M., Petrović, B.,& Simović, A. R.. (2023). Synthesis, characterization, biomolecular interactions, molecular docking, and in vitro and in vivo anticancer activities of novel ruthenium(III) Schiff base complexes. in Journal of Inorganic Biochemistry
Elsevier., 248, 112363.
https://doi.org/10.1016/j.jinorgbio.2023.112363

Međedović M, Mijatović A, Baošić R, Lazić D, Milanović Ž, Marković Z, Milovanović J, Arsenijević D, Stojanović B, Arsenijević M, Milovanović M, Petrović B, Simović AR. Synthesis, characterization, biomolecular interactions, molecular docking, and in vitro and in vivo anticancer activities of novel ruthenium(III) Schiff base complexes. in Journal of Inorganic Biochemistry. 2023;248:112363.
doi:10.1016/j.jinorgbio.2023.112363 .

Međedović, Milica, Mijatović, Aleksandar, Baošić, Rada, Lazić, Dejan, Milanović, Žiko, Marković, Zoran, Milovanović, Jelena, Arsenijević, Dragana, Stojanović, Bojana, Arsenijević, Miloš, Milovanović, Marija, Petrović, Biljana, Simović, Ana Rilak, "Synthesis, characterization, biomolecular interactions, molecular docking, and in vitro and in vivo anticancer activities of novel ruthenium(III) Schiff base complexes" in Journal of Inorganic Biochemistry, 248 (2023):112363,
https://doi.org/10.1016/j.jinorgbio.2023.112363 . .

TY  - CONF
AU  - Mančić, Lidija
AU  - Dinić, Ivana
AU  - Almeida, Lucas A.
AU  - Gil-Londoño, Jessica
AU  - Vuković, Marina
AU  - Jardim, Paula M.
AU  - Marinković, Bojan A.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6378
AB  - Novel hybrid core shell structure with extensive absorption was synthesized by a two-step wet chemical route. Up-converting β-NaYF4:Yb,Tm core was obtained through EDTA assisted hydrothermal process, while the shell of anatase TiO2-Acetylacetonate charge transfer complex (TiO2-Acac) was formed over these via sol-gel method. Tetracycline was used to investigate photocatalytic efficiency of obtained structure under irradiation of reduced power Vis and NIR spectra. Owing to the fact that 1D2→3F4 and 1G4→3H6 emission of Tm3+ matches well with the absorption edge of TiO2-Acac, radiation-reabsorption and FRET processes improve the overall generation of reactive oxygen species and degradation of tetracycline. Beside it, formation of tetracycline intermediates immediately after the addition of this novel hybrid core-shell structures, making them a promising material for water purification through the synergy of catalytic and photocatalytic processes.
PB  - Belgrade : Serbian Ceramic Society
C3  - Program and the Book of abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Application XI New Frontiers in Multifunctional Material Science and Processing, Serbian Academy of Sciences and Art Serbia, Belgrade,18-20.September 2023
T1  - β-NaYF4:Yb,Tm@TiO2-Acac core-shell structure for efficient photocatalysis
SP  - 49
EP  - 49
UR  - https://hdl.handle.net/21.15107/rcub_dais_15764
ER  - 

@conference{
author = "Mančić, Lidija and Dinić, Ivana and Almeida, Lucas A. and Gil-Londoño, Jessica and Vuković, Marina and Jardim, Paula M. and Marinković, Bojan A.",
year = "2023",
abstract = "Novel hybrid core shell structure with extensive absorption was synthesized by a two-step wet chemical route. Up-converting β-NaYF4:Yb,Tm core was obtained through EDTA assisted hydrothermal process, while the shell of anatase TiO2-Acetylacetonate charge transfer complex (TiO2-Acac) was formed over these via sol-gel method. Tetracycline was used to investigate photocatalytic efficiency of obtained structure under irradiation of reduced power Vis and NIR spectra. Owing to the fact that 1D2→3F4 and 1G4→3H6 emission of Tm3+ matches well with the absorption edge of TiO2-Acac, radiation-reabsorption and FRET processes improve the overall generation of reactive oxygen species and degradation of tetracycline. Beside it, formation of tetracycline intermediates immediately after the addition of this novel hybrid core-shell structures, making them a promising material for water purification through the synergy of catalytic and photocatalytic processes.",
publisher = "Belgrade : Serbian Ceramic Society",
journal = "Program and the Book of abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Application XI New Frontiers in Multifunctional Material Science and Processing, Serbian Academy of Sciences and Art Serbia, Belgrade,18-20.September 2023",
title = "β-NaYF4:Yb,Tm@TiO2-Acac core-shell structure for efficient photocatalysis",
pages = "49-49",
url = "https://hdl.handle.net/21.15107/rcub_dais_15764"
}

Mančić, L., Dinić, I., Almeida, L. A., Gil-Londoño, J., Vuković, M., Jardim, P. M.,& Marinković, B. A.. (2023). β-NaYF4:Yb,Tm@TiO2-Acac core-shell structure for efficient photocatalysis. in Program and the Book of abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Application XI New Frontiers in Multifunctional Material Science and Processing, Serbian Academy of Sciences and Art Serbia, Belgrade,18-20.September 2023
Belgrade : Serbian Ceramic Society., 49-49.
https://hdl.handle.net/21.15107/rcub_dais_15764

Mančić L, Dinić I, Almeida LA, Gil-Londoño J, Vuković M, Jardim PM, Marinković BA. β-NaYF4:Yb,Tm@TiO2-Acac core-shell structure for efficient photocatalysis. in Program and the Book of abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Application XI New Frontiers in Multifunctional Material Science and Processing, Serbian Academy of Sciences and Art Serbia, Belgrade,18-20.September 2023. 2023;:49-49.
https://hdl.handle.net/21.15107/rcub_dais_15764 .

Mančić, Lidija, Dinić, Ivana, Almeida, Lucas A., Gil-Londoño, Jessica, Vuković, Marina, Jardim, Paula M., Marinković, Bojan A., "β-NaYF4:Yb,Tm@TiO2-Acac core-shell structure for efficient photocatalysis" in Program and the Book of abstracts / Serbian Ceramic Society Conference Advanced Ceramics and Application XI New Frontiers in Multifunctional Material Science and Processing, Serbian Academy of Sciences and Art Serbia, Belgrade,18-20.September 2023 (2023):49-49,
https://hdl.handle.net/21.15107/rcub_dais_15764 .

TY  - JOUR
AU  - Adejumo, Temiloluwa T.
AU  - Danopoulou, Marianna
AU  - Zorba, Leandros P.
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Radanović, Dušanka
AU  - Savić, Milica
AU  - Gruden, Maja
AU  - Anđelković, Katarina K.
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Vougioukalakis, Georgios C.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6366
AB  - Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.
PB  - Wiley
T2  - European Journal of Inorganic Chemistry
T1  - Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes
VL  - 26
IS  - 33
SP  - e202300193
DO  - 10.1002/ejic.202300193
ER  - 

@article{
author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina K. and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.",
year = "2023",
abstract = "Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.",
publisher = "Wiley",
journal = "European Journal of Inorganic Chemistry",
title = "Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes",
volume = "26",
number = "33",
pages = "e202300193",
doi = "10.1002/ejic.202300193"
}

Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K. K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes. in European Journal of Inorganic Chemistry
Wiley., 26(33), e202300193.
https://doi.org/10.1002/ejic.202300193

Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković KK, Turel I, Čobeljić B, Vougioukalakis GC. Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes. in European Journal of Inorganic Chemistry. 2023;26(33):e202300193.
doi:10.1002/ejic.202300193 .

Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina K., Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193,
https://doi.org/10.1002/ejic.202300193 . .

TY  - JOUR
AU  - Knežević, Sara
AU  - Jovanović, Nataša Terzić
AU  - Vlahović, Filip
AU  - Ajdačić, Vladimir
AU  - Costache, Vlad
AU  - Vidić, Jasmina
AU  - Opsenica, Igor
AU  - Stanković, Dalibor
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6348
AB  - Covalent organic frameworks (COFs) are emerging as promising sensing materials due to their controllable structure and function properties, as well as excellent physicochemical characteristics. Here, specific interactions between a triazine-based COF and a mass-used herbicide – glyphosate (GLY) have been utilized to design a disposable sensing platform for GLY detection. This herbicide has been extensively used for decades, however, its harmful environmental impact and toxicity to humans have been recently proven, conditioning the necessity for the strict control and monitoring of its use and its presence in soil, water, and food. Glyphosate is an organophosphorus compound, and its detection in complex matrices usually requires laborious pretreatment. Here, we developed a direct, miniaturized, robust, and green approach for disposable electrochemical sensing of glyphosate, utilizing COF's ability to selectively capture and concentrate negatively charged glyphosate molecules inside its nanopores. This process generates the concentration gradient of GLY, accelerating its diffusion towards the electrode surface. Simultaneously, specific COF-glyphosate binding catalyses the oxidative cleavage of the C–P bond and, together with pore nanoconfinement, enables sensitive glyphosate detection. Detailed sensing principles and selectiveness were scrutinized using DFT-based modelling. The proposed electrochemical method has a linear working range from 0.1 μM to 10 μM, a low limit of detection of 96 nM, and a limit of quantification of 320 nM. The elaborated sensing approach is viable for use in real sample matrices and tested for GLY determination in soil and water samples, without pretreatment, preparation, or purification. The results showed the practical usefulness of the sensor in the real sample analysis and suggested its suitability for possible out-of-laboratory sensing.
PB  - Elsevier
T2  - Chemosphere
T1  - Direct glyphosate soil monitoring at the triazine-based covalent organic framework with the theoretical study of sensing principle
VL  - 341
SP  - 139930
DO  - 10.1016/j.chemosphere.2023.139930
ER  - 

@article{
author = "Knežević, Sara and Jovanović, Nataša Terzić and Vlahović, Filip and Ajdačić, Vladimir and Costache, Vlad and Vidić, Jasmina and Opsenica, Igor and Stanković, Dalibor",
year = "2023",
abstract = "Covalent organic frameworks (COFs) are emerging as promising sensing materials due to their controllable structure and function properties, as well as excellent physicochemical characteristics. Here, specific interactions between a triazine-based COF and a mass-used herbicide – glyphosate (GLY) have been utilized to design a disposable sensing platform for GLY detection. This herbicide has been extensively used for decades, however, its harmful environmental impact and toxicity to humans have been recently proven, conditioning the necessity for the strict control and monitoring of its use and its presence in soil, water, and food. Glyphosate is an organophosphorus compound, and its detection in complex matrices usually requires laborious pretreatment. Here, we developed a direct, miniaturized, robust, and green approach for disposable electrochemical sensing of glyphosate, utilizing COF's ability to selectively capture and concentrate negatively charged glyphosate molecules inside its nanopores. This process generates the concentration gradient of GLY, accelerating its diffusion towards the electrode surface. Simultaneously, specific COF-glyphosate binding catalyses the oxidative cleavage of the C–P bond and, together with pore nanoconfinement, enables sensitive glyphosate detection. Detailed sensing principles and selectiveness were scrutinized using DFT-based modelling. The proposed electrochemical method has a linear working range from 0.1 μM to 10 μM, a low limit of detection of 96 nM, and a limit of quantification of 320 nM. The elaborated sensing approach is viable for use in real sample matrices and tested for GLY determination in soil and water samples, without pretreatment, preparation, or purification. The results showed the practical usefulness of the sensor in the real sample analysis and suggested its suitability for possible out-of-laboratory sensing.",
publisher = "Elsevier",
journal = "Chemosphere",
title = "Direct glyphosate soil monitoring at the triazine-based covalent organic framework with the theoretical study of sensing principle",
volume = "341",
pages = "139930",
doi = "10.1016/j.chemosphere.2023.139930"
}

Knežević, S., Jovanović, N. T., Vlahović, F., Ajdačić, V., Costache, V., Vidić, J., Opsenica, I.,& Stanković, D.. (2023). Direct glyphosate soil monitoring at the triazine-based covalent organic framework with the theoretical study of sensing principle. in Chemosphere
Elsevier., 341, 139930.
https://doi.org/10.1016/j.chemosphere.2023.139930

Knežević S, Jovanović NT, Vlahović F, Ajdačić V, Costache V, Vidić J, Opsenica I, Stanković D. Direct glyphosate soil monitoring at the triazine-based covalent organic framework with the theoretical study of sensing principle. in Chemosphere. 2023;341:139930.
doi:10.1016/j.chemosphere.2023.139930 .

Knežević, Sara, Jovanović, Nataša Terzić, Vlahović, Filip, Ajdačić, Vladimir, Costache, Vlad, Vidić, Jasmina, Opsenica, Igor, Stanković, Dalibor, "Direct glyphosate soil monitoring at the triazine-based covalent organic framework with the theoretical study of sensing principle" in Chemosphere, 341 (2023):139930,
https://doi.org/10.1016/j.chemosphere.2023.139930 . .

TY  - JOUR
AU  - Chrienova, Zofia
AU  - Rysanek, David
AU  - Novak, Josef
AU  - Vasicova, Pavla
AU  - Oleksak, Patrik
AU  - Andrys, Rudolf
AU  - Skarka, Adam
AU  - Dumanovic, Jelena
AU  - Milovanovic, Zoran
AU  - Jacevic, Vesna
AU  - Chvojkova, Marketa
AU  - Holubova, Kristina
AU  - Vales, Karel
AU  - Skoupilova, Veronika
AU  - Valko, Marian
AU  - Jomova, Klaudia
AU  - Alomar, Suliman Y.
AU  - Botelho, Fernanda D.
AU  - Franca, Tanos C. C.
AU  - Kuca, Kamil
AU  - Hodny, Zdenek
AU  - Nepovimova, Eugenie
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6376
AB  - Frentizole is immunosuppressive drug with low acute toxicity and lifespan-prolonging effect. Recently, frentizole´s potential to disrupt toxic amyloid β (Aβ) - Aβ-binding alcohol dehydrogenase (ABAD) interaction in mitochondria in Alzheimer´s brains has been revealed. Another broadly studied drug with anti-aging and immunosuppressive properties is an mTOR inhibitor – rapamycin. Since we do not yet precisely know what is behind the lifespan-prolonging effect of rapamycin and frentizole, whether it is the ability to inhibit the mTOR signaling pathway, reduction in mitochondrial toxicity, immunosuppressive effect, or a combination of all of them, we have decided within our previous work to dock the entire in-house library of almost 240 Aβ-ABAD modulators into the FKBP-rapamycin-binding (FRB) domain of mTOR in order to interlink mTOR-centric and mitochondrial free radical-centric theories of aging and thus to increase the chances of success. Based on the results of the docking study, molecular dynamic simulation and MM-PBSA calculations, we have selected nine frentizole-like compounds (1 – 9). Subsequently, we have determined their real physical-chemical properties (logP, logD, pKa and solubility in water and buffer), cytotoxic/cytostatic, mTOR inhibitory, and in vitro anti-senescence (senolytic and senomorphic) effects. Finally, the three best candidates (4, 8, and 9) have been forwarded for in vivo safety studies to assess their acute toxicity and pharmacokinetic properties. Based on obtained results, only compound 4 demonstrated the best results within in vitro testing, the ability to cross the blood-brain barrier and the lowest acute toxicity (LD50 in male mice 559 mg/kg; LD50 in female mice 575 mg/kg).
PB  - Elsevier
T2  - Biomedicine & Pharmacotherapy
VL  - 167
SP  - 115600
DO  - 10.1016/j.biopha.2023.115600
ER  - 

@article{
author = "Chrienova, Zofia and Rysanek, David and Novak, Josef and Vasicova, Pavla and Oleksak, Patrik and Andrys, Rudolf and Skarka, Adam and Dumanovic, Jelena and Milovanovic, Zoran and Jacevic, Vesna and Chvojkova, Marketa and Holubova, Kristina and Vales, Karel and Skoupilova, Veronika and Valko, Marian and Jomova, Klaudia and Alomar, Suliman Y. and Botelho, Fernanda D. and Franca, Tanos C. C. and Kuca, Kamil and Hodny, Zdenek and Nepovimova, Eugenie",
year = "2023",
abstract = "Frentizole is immunosuppressive drug with low acute toxicity and lifespan-prolonging effect. Recently, frentizole´s potential to disrupt toxic amyloid β (Aβ) - Aβ-binding alcohol dehydrogenase (ABAD) interaction in mitochondria in Alzheimer´s brains has been revealed. Another broadly studied drug with anti-aging and immunosuppressive properties is an mTOR inhibitor – rapamycin. Since we do not yet precisely know what is behind the lifespan-prolonging effect of rapamycin and frentizole, whether it is the ability to inhibit the mTOR signaling pathway, reduction in mitochondrial toxicity, immunosuppressive effect, or a combination of all of them, we have decided within our previous work to dock the entire in-house library of almost 240 Aβ-ABAD modulators into the FKBP-rapamycin-binding (FRB) domain of mTOR in order to interlink mTOR-centric and mitochondrial free radical-centric theories of aging and thus to increase the chances of success. Based on the results of the docking study, molecular dynamic simulation and MM-PBSA calculations, we have selected nine frentizole-like compounds (1 – 9). Subsequently, we have determined their real physical-chemical properties (logP, logD, pKa and solubility in water and buffer), cytotoxic/cytostatic, mTOR inhibitory, and in vitro anti-senescence (senolytic and senomorphic) effects. Finally, the three best candidates (4, 8, and 9) have been forwarded for in vivo safety studies to assess their acute toxicity and pharmacokinetic properties. Based on obtained results, only compound 4 demonstrated the best results within in vitro testing, the ability to cross the blood-brain barrier and the lowest acute toxicity (LD50 in male mice 559 mg/kg; LD50 in female mice 575 mg/kg).",
publisher = "Elsevier",
journal = "Biomedicine & Pharmacotherapy",
volume = "167",
pages = "115600",
doi = "10.1016/j.biopha.2023.115600"
}

Chrienova, Z., Rysanek, D., Novak, J., Vasicova, P., Oleksak, P., Andrys, R., Skarka, A., Dumanovic, J., Milovanovic, Z., Jacevic, V., Chvojkova, M., Holubova, K., Vales, K., Skoupilova, V., Valko, M., Jomova, K., Alomar, S. Y., Botelho, F. D., Franca, T. C. C., Kuca, K., Hodny, Z.,& Nepovimova, E.. (2023). in Biomedicine & Pharmacotherapy
Elsevier., 167, 115600.
https://doi.org/10.1016/j.biopha.2023.115600

Chrienova Z, Rysanek D, Novak J, Vasicova P, Oleksak P, Andrys R, Skarka A, Dumanovic J, Milovanovic Z, Jacevic V, Chvojkova M, Holubova K, Vales K, Skoupilova V, Valko M, Jomova K, Alomar SY, Botelho FD, Franca TCC, Kuca K, Hodny Z, Nepovimova E. in Biomedicine & Pharmacotherapy. 2023;167:115600.
doi:10.1016/j.biopha.2023.115600 .

Chrienova, Zofia, Rysanek, David, Novak, Josef, Vasicova, Pavla, Oleksak, Patrik, Andrys, Rudolf, Skarka, Adam, Dumanovic, Jelena, Milovanovic, Zoran, Jacevic, Vesna, Chvojkova, Marketa, Holubova, Kristina, Vales, Karel, Skoupilova, Veronika, Valko, Marian, Jomova, Klaudia, Alomar, Suliman Y., Botelho, Fernanda D., Franca, Tanos C. C., Kuca, Kamil, Hodny, Zdenek, Nepovimova, Eugenie, in Biomedicine & Pharmacotherapy, 167 (2023):115600,
https://doi.org/10.1016/j.biopha.2023.115600 . .

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

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

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

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

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

TY  - JOUR
AU  - Zelenović, Nevena D.
AU  - Filipović, Lidija
AU  - Popović, Milica M.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6356
AB  - Biotechnological and biomedical applications of antibodies have been on a steady rise since the 1980s. As unique and highly specific bioreagents, monoclonal antibodies (mAbs) have been widely exploited and approved as therapeutic agents. However, the use of mAbs has limitations for therapeutic applications. Antibody fragments (AbFs) with preserved antigen-binding sites have a significant potential to overcome the disadvantages of conventional mAbs, such as heterogeneous tissue distribution after systemic administration, especially in solid tumors, and Fc-mediated bystander activation of the immune system. AbFs possess better biodistribution coefficient due to lower molecular weight. They preserve the functional features of mAbs, such as antigen specificity and binding, while at the same time, ensuring much better tissue penetration. An additional benefit of AbFs is the possibility of their production in bacterial and yeast cells due to the small size, more robust structure, and lack of posttranslational modifications. In this review, we described current approaches to the AbF production with recent examples of AbF synthesis in bacterial and yeast expression systems and methods for the production optimization.
PB  - Springer
T2  - Biochemistry (Moscow)
T1  - Recent Developments in Bioprocessing of Recombinant Antibody Fragments
VL  - 88
IS  - 9
SP  - 1191
EP  - 1204
DO  - 10.1134/S0006297923090018
ER  - 

@article{
author = "Zelenović, Nevena D. and Filipović, Lidija and Popović, Milica M.",
year = "2023",
abstract = "Biotechnological and biomedical applications of antibodies have been on a steady rise since the 1980s. As unique and highly specific bioreagents, monoclonal antibodies (mAbs) have been widely exploited and approved as therapeutic agents. However, the use of mAbs has limitations for therapeutic applications. Antibody fragments (AbFs) with preserved antigen-binding sites have a significant potential to overcome the disadvantages of conventional mAbs, such as heterogeneous tissue distribution after systemic administration, especially in solid tumors, and Fc-mediated bystander activation of the immune system. AbFs possess better biodistribution coefficient due to lower molecular weight. They preserve the functional features of mAbs, such as antigen specificity and binding, while at the same time, ensuring much better tissue penetration. An additional benefit of AbFs is the possibility of their production in bacterial and yeast cells due to the small size, more robust structure, and lack of posttranslational modifications. In this review, we described current approaches to the AbF production with recent examples of AbF synthesis in bacterial and yeast expression systems and methods for the production optimization.",
publisher = "Springer",
journal = "Biochemistry (Moscow)",
title = "Recent Developments in Bioprocessing of Recombinant Antibody Fragments",
volume = "88",
number = "9",
pages = "1191-1204",
doi = "10.1134/S0006297923090018"
}

Zelenović, N. D., Filipović, L.,& Popović, M. M.. (2023). Recent Developments in Bioprocessing of Recombinant Antibody Fragments. in Biochemistry (Moscow)
Springer., 88(9), 1191-1204.
https://doi.org/10.1134/S0006297923090018

Zelenović ND, Filipović L, Popović MM. Recent Developments in Bioprocessing of Recombinant Antibody Fragments. in Biochemistry (Moscow). 2023;88(9):1191-1204.
doi:10.1134/S0006297923090018 .

Zelenović, Nevena D., Filipović, Lidija, Popović, Milica M., "Recent Developments in Bioprocessing of Recombinant Antibody Fragments" in Biochemistry (Moscow), 88, no. 9 (2023):1191-1204,
https://doi.org/10.1134/S0006297923090018 . .

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan B.
AU  - Blagojević, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6371
AB  - In spite of being quite different substances, benzene and water can form similar noncovalent interactions. Analysis of the
data in the crystal structures in the Cambridge Structural Database (CSD) revealed similarities in benzene/benzene and
water/water interactions, since both benzene/benzene and water/water can form antiparallel interactions.
The quantum chemical calculations of potential surface of water/water interactions showed that the minimum is hydrogen
bond. Analysis of the data in the crystal structures in the Cambridge Structural Database (CSD) revealed antiparallel
water/water interactions, in addition to classical hydrogen bonds (1). The geometries of all water/water contacts in the CSD
were analyzed and for all contacts interaction energies were calculated at accurate CCSD(T)/CBS level. The results
showed that the most frequent water/water contacts are hydrogen bonds; hydrogen bonds are 70% of all attractive
water/water interactions. In addition, water/water contacts with antiparallel interactions are 20% of all attractive water/water
contacts. In these contacts O-H bonds of water molecules are in antiparallel orientation (Figure).
The quantum chemical calculations of potential surface of benzene/benzene interactions showed two minima stacking
(parallel displaced) geometry and T-shaped geometry. Analysis of all benzene/benzene contacts in the crystal structures
in the CSD revealed the most frequent benzene/benzene geometries (2). Majority of the benzene/benzene interactions in
the CSD are stacking interactions with large horizontal displacements, and not geometries that are minima on
benzene/benzene potential surface. In benzene/benzene interactions at large horizontal displacements two C-H bonds are in the antiparallel orientation (Figure).
In these O-H and C-H antiparallel interactions two dipoles are in antiparallel orientation enabling close contact of positive
and negative regions of the dipoles. Symmetry Adapted Perturbation Theory (SAPT) analysis showed that electrostatic is
the largest attractive force in the antiparallel interactions. Antiparallel interactions are also possible between O-H and C-H
bonds; in the crystal structures from the CSD these interactions are observed as one of the types of water benzene interactions (3).
PB  - University of Strasbourg
C3  - The van der Waals-London Discussions, Univesity of Strasbourg, October 26-27th 2023
T1  - Antiparallel Noncovalent Interactions
ER  - 

@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Ninković, Dragan B. and Blagojević, Jelena P. and Zarić, Snežana D.",
year = "2023",
abstract = "In spite of being quite different substances, benzene and water can form similar noncovalent interactions. Analysis of the
data in the crystal structures in the Cambridge Structural Database (CSD) revealed similarities in benzene/benzene and
water/water interactions, since both benzene/benzene and water/water can form antiparallel interactions.
The quantum chemical calculations of potential surface of water/water interactions showed that the minimum is hydrogen
bond. Analysis of the data in the crystal structures in the Cambridge Structural Database (CSD) revealed antiparallel
water/water interactions, in addition to classical hydrogen bonds (1). The geometries of all water/water contacts in the CSD
were analyzed and for all contacts interaction energies were calculated at accurate CCSD(T)/CBS level. The results
showed that the most frequent water/water contacts are hydrogen bonds; hydrogen bonds are 70% of all attractive
water/water interactions. In addition, water/water contacts with antiparallel interactions are 20% of all attractive water/water
contacts. In these contacts O-H bonds of water molecules are in antiparallel orientation (Figure).
The quantum chemical calculations of potential surface of benzene/benzene interactions showed two minima stacking
(parallel displaced) geometry and T-shaped geometry. Analysis of all benzene/benzene contacts in the crystal structures
in the CSD revealed the most frequent benzene/benzene geometries (2). Majority of the benzene/benzene interactions in
the CSD are stacking interactions with large horizontal displacements, and not geometries that are minima on
benzene/benzene potential surface. In benzene/benzene interactions at large horizontal displacements two C-H bonds are in the antiparallel orientation (Figure).
In these O-H and C-H antiparallel interactions two dipoles are in antiparallel orientation enabling close contact of positive
and negative regions of the dipoles. Symmetry Adapted Perturbation Theory (SAPT) analysis showed that electrostatic is
the largest attractive force in the antiparallel interactions. Antiparallel interactions are also possible between O-H and C-H
bonds; in the crystal structures from the CSD these interactions are observed as one of the types of water benzene interactions (3).",
publisher = "University of Strasbourg",
journal = "The van der Waals-London Discussions, Univesity of Strasbourg, October 26-27th 2023",
title = "Antiparallel Noncovalent Interactions"
}

Milovanović, M. R., Živković, J. M., Ninković, D. B., Blagojević, J. P.,& Zarić, S. D.. (2023). Antiparallel Noncovalent Interactions. in The van der Waals-London Discussions, Univesity of Strasbourg, October 26-27th 2023
University of Strasbourg..

Milovanović MR, Živković JM, Ninković DB, Blagojević JP, Zarić SD. Antiparallel Noncovalent Interactions. in The van der Waals-London Discussions, Univesity of Strasbourg, October 26-27th 2023. 2023;..

Milovanović, Milan R., Živković, Jelena M., Ninković, Dragan B., Blagojević, Jelena P., Zarić, Snežana D., "Antiparallel Noncovalent Interactions" in The van der Waals-London Discussions, Univesity of Strasbourg, October 26-27th 2023 (2023).

TY  - CONF
AU  - Zarić, Snežana D.
AU  - Milovanović, Milan R.
AU  - Stanković, Ivana M.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan B.
AU  - Hall, Michael B.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6372
AB  - Water is one of the most important molecules; it is clear that life on Earth depends on its anomalous properties derived from its unique structure: small size and high polarity [1] as well as flexibility [2]. A fundamental ability of water is hydrogen bonding.
Hydrogen bonds are generally considered strong when the H···Y distance is 2.2 to 2.5 Å and the X—H···Y angle is 170 to 180⁰, whereas for weak hydrogen-bond interactions, the H···Y distance is larger than 3.2 Å and the bond angle is less than 130⁰. Between strong and weak interactions are those ones of the moderate strength [3].
In this work [4], we analyzed geometries of all water–water interactions in the Cambridge Structural Database (CSD). We found 9928 water-water contacts and for all of them we calculated interaction energies at the accurate CCSD(T)/CBS level. Our results indicate two types of attractive water–water interactions; the first type involves the classical hydrogen bonds (dOH < 3.0 Å and α > 120⁰), whereas the second type involves antiparallel O—H bond interactions (Figure 1). Namely, c.a. 70% of attractive water–water contacts are classical hydrogen bonds with most being stronger than -3.3 kcal/mol, while c.a. 19% of attractive water–water contacts are antiparallel dipolar interactions with interaction energies up to -4.7 kcal/mol.
C3  - 17th International Congress of Quantum Chemistry (17thICQC), Book of abstracts, June 26 – July 1 2023, Bratislava, Slovakia
T1  - Antiparallel interactions as a mode of hydrogen bonding: Case of water in solid state
ER  - 

@conference{
author = "Zarić, Snežana D. and Milovanović, Milan R. and Stanković, Ivana M. and Živković, Jelena M. and Ninković, Dragan B. and Hall, Michael B.",
year = "2023",
abstract = "Water is one of the most important molecules; it is clear that life on Earth depends on its anomalous properties derived from its unique structure: small size and high polarity [1] as well as flexibility [2]. A fundamental ability of water is hydrogen bonding.
Hydrogen bonds are generally considered strong when the H···Y distance is 2.2 to 2.5 Å and the X—H···Y angle is 170 to 180⁰, whereas for weak hydrogen-bond interactions, the H···Y distance is larger than 3.2 Å and the bond angle is less than 130⁰. Between strong and weak interactions are those ones of the moderate strength [3].
In this work [4], we analyzed geometries of all water–water interactions in the Cambridge Structural Database (CSD). We found 9928 water-water contacts and for all of them we calculated interaction energies at the accurate CCSD(T)/CBS level. Our results indicate two types of attractive water–water interactions; the first type involves the classical hydrogen bonds (dOH < 3.0 Å and α > 120⁰), whereas the second type involves antiparallel O—H bond interactions (Figure 1). Namely, c.a. 70% of attractive water–water contacts are classical hydrogen bonds with most being stronger than -3.3 kcal/mol, while c.a. 19% of attractive water–water contacts are antiparallel dipolar interactions with interaction energies up to -4.7 kcal/mol.",
journal = "17th International Congress of Quantum Chemistry (17thICQC), Book of abstracts, June 26 – July 1 2023, Bratislava, Slovakia",
title = "Antiparallel interactions as a mode of hydrogen bonding: Case of water in solid state"
}

Zarić, S. D., Milovanović, M. R., Stanković, I. M., Živković, J. M., Ninković, D. B.,& Hall, M. B.. (2023). Antiparallel interactions as a mode of hydrogen bonding: Case of water in solid state. in 17th International Congress of Quantum Chemistry (17thICQC), Book of abstracts, June 26 – July 1 2023, Bratislava, Slovakia.

Zarić SD, Milovanović MR, Stanković IM, Živković JM, Ninković DB, Hall MB. Antiparallel interactions as a mode of hydrogen bonding: Case of water in solid state. in 17th International Congress of Quantum Chemistry (17thICQC), Book of abstracts, June 26 – July 1 2023, Bratislava, Slovakia. 2023;..

Zarić, Snežana D., Milovanović, Milan R., Stanković, Ivana M., Živković, Jelena M., Ninković, Dragan B., Hall, Michael B., "Antiparallel interactions as a mode of hydrogen bonding: Case of water in solid state" in 17th International Congress of Quantum Chemistry (17thICQC), Book of abstracts, June 26 – July 1 2023, Bratislava, Slovakia (2023).

TY  - CONF
AU  - Fotirić Akšić, Milica
AU  - Rabrenović, Biljana
AU  - Gašić, Uroš
AU  - Dabic Zagorac, Dragana
AU  - Natić, Maja
AU  - Meland, Mekjell
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6374
AB  - The variation in analyzed content of the studied chemical compounds inNorwegianraspberryseedshelpedusdifferentiateexaminedcultivars andprovedthat thekernel`scompositionwasattributedtogenetic factors.Besides, accordingtopolyphenolicandfattyacidsprofile,canbeconcludedthatraspberryseeds canbeusedfortheproductionof`functionalfood`.
C3  - V Balkan Symposium on Fruit Growing, Zagreb, Croatia, June 18-21, 2023
T1  - Bioactive compounds of seeds from raspberry (Rubus idaeus L.) cultivars grown under the Norwegian conditions
ER  - 

@conference{
author = "Fotirić Akšić, Milica and Rabrenović, Biljana and Gašić, Uroš and Dabic Zagorac, Dragana and Natić, Maja and Meland, Mekjell",
year = "2023",
abstract = "The variation in analyzed content of the studied chemical compounds inNorwegianraspberryseedshelpedusdifferentiateexaminedcultivars andprovedthat thekernel`scompositionwasattributedtogenetic factors.Besides, accordingtopolyphenolicandfattyacidsprofile,canbeconcludedthatraspberryseeds canbeusedfortheproductionof`functionalfood`.",
journal = "V Balkan Symposium on Fruit Growing, Zagreb, Croatia, June 18-21, 2023",
title = "Bioactive compounds of seeds from raspberry (Rubus idaeus L.) cultivars grown under the Norwegian conditions"
}

Fotirić Akšić, M., Rabrenović, B., Gašić, U., Dabic Zagorac, D., Natić, M.,& Meland, M.. (2023). Bioactive compounds of seeds from raspberry (Rubus idaeus L.) cultivars grown under the Norwegian conditions. in V Balkan Symposium on Fruit Growing, Zagreb, Croatia, June 18-21, 2023.

Fotirić Akšić M, Rabrenović B, Gašić U, Dabic Zagorac D, Natić M, Meland M. Bioactive compounds of seeds from raspberry (Rubus idaeus L.) cultivars grown under the Norwegian conditions. in V Balkan Symposium on Fruit Growing, Zagreb, Croatia, June 18-21, 2023. 2023;..

Fotirić Akšić, Milica, Rabrenović, Biljana, Gašić, Uroš, Dabic Zagorac, Dragana, Natić, Maja, Meland, Mekjell, "Bioactive compounds of seeds from raspberry (Rubus idaeus L.) cultivars grown under the Norwegian conditions" in V Balkan Symposium on Fruit Growing, Zagreb, Croatia, June 18-21, 2023 (2023).

TY  - CHAP
AU  - Trbojević-Ivić, Jovana
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6339
AB  - Ovalbumin (OVA) is a multi-faceted protein with an immense significance in the human nutrition and food industry. As the most abundant protein of the egg white it contributes to the overall nutritional quality and functional properties of eggs. Proteolytic digestion of OVA yields bioactive peptides (OVA-BAPs) as highly regarded nutraceuticals with various health-promoting and disease-preventing benefits. The aim of this chapter is to present state-of-the-art in the research of OVA-BAPs. Based on the complexity of the chosen subject and the analysis of literature data, chapter is thematically divided into four sections. The first section will present trends and forecasts in the global BAP market, identifying key market segments and stakeholders and addressing the main challenges in production, application and distribution of BAPs. The second section will review current methodologies for production of food-derived BAPs, highlighting enzyme hydrolysis as the most comprehensive method. The third section represents a core unit of this chapter in which a detailed overview of OVA-BAP will be given. OVA-BAP bioactivity is the result of a complex interplay between their structural, biochemical, and pharmacokinetic properties, but it is also greatly affected by the method of OVA processing and OVA-BAP extraction. Effect of all these critical factors will be examined in detail. In the final section advances in production, functional characterization and applications of OVA-BAPs will be presented. Immobilization is the most comprehensive strategy for stabilization and activation of industrial enzymes. Efficiency of immobilized proteases in OVA-BAP production will be elucidated in this section, particularly referring to nanoimmobilized proteases. Artificial intelligence and machine learning are becoming prominent analytical methods in the screening of nutraceuticals and design of functional food. Their incorporation within the existing methodology for functional characterization of OVA-BAP will be elucidated. Bioavailability is the crucial factor affecting the intended health benefit of nutraceuticals. It is strongly affected by pharmacokinetics of the nutraceutical. Therefore, the final part of this chapter will highlight the importance of nanobiotechnology to improve bioavailability and thus bioactivity of OVA-BAPs.
PB  - Nova Science Publishers, Inc.
T2  - Advances in Health and Disease
T1  - Ovalbumin as a Source of Bioactive Peptides
VL  - 74
SP  - 1
EP  - 42
ER  - 

@inbook{
author = "Trbojević-Ivić, Jovana",
year = "2023",
abstract = "Ovalbumin (OVA) is a multi-faceted protein with an immense significance in the human nutrition and food industry. As the most abundant protein of the egg white it contributes to the overall nutritional quality and functional properties of eggs. Proteolytic digestion of OVA yields bioactive peptides (OVA-BAPs) as highly regarded nutraceuticals with various health-promoting and disease-preventing benefits. The aim of this chapter is to present state-of-the-art in the research of OVA-BAPs. Based on the complexity of the chosen subject and the analysis of literature data, chapter is thematically divided into four sections. The first section will present trends and forecasts in the global BAP market, identifying key market segments and stakeholders and addressing the main challenges in production, application and distribution of BAPs. The second section will review current methodologies for production of food-derived BAPs, highlighting enzyme hydrolysis as the most comprehensive method. The third section represents a core unit of this chapter in which a detailed overview of OVA-BAP will be given. OVA-BAP bioactivity is the result of a complex interplay between their structural, biochemical, and pharmacokinetic properties, but it is also greatly affected by the method of OVA processing and OVA-BAP extraction. Effect of all these critical factors will be examined in detail. In the final section advances in production, functional characterization and applications of OVA-BAPs will be presented. Immobilization is the most comprehensive strategy for stabilization and activation of industrial enzymes. Efficiency of immobilized proteases in OVA-BAP production will be elucidated in this section, particularly referring to nanoimmobilized proteases. Artificial intelligence and machine learning are becoming prominent analytical methods in the screening of nutraceuticals and design of functional food. Their incorporation within the existing methodology for functional characterization of OVA-BAP will be elucidated. Bioavailability is the crucial factor affecting the intended health benefit of nutraceuticals. It is strongly affected by pharmacokinetics of the nutraceutical. Therefore, the final part of this chapter will highlight the importance of nanobiotechnology to improve bioavailability and thus bioactivity of OVA-BAPs.",
publisher = "Nova Science Publishers, Inc.",
journal = "Advances in Health and Disease",
booktitle = "Ovalbumin as a Source of Bioactive Peptides",
volume = "74",
pages = "1-42"
}

Trbojević-Ivić, J.. (2023). Ovalbumin as a Source of Bioactive Peptides. in Advances in Health and Disease
Nova Science Publishers, Inc.., 74, 1-42.

Trbojević-Ivić J. Ovalbumin as a Source of Bioactive Peptides. in Advances in Health and Disease. 2023;74:1-42..

Trbojević-Ivić, Jovana, "Ovalbumin as a Source of Bioactive Peptides" in Advances in Health and Disease, 74 (2023):1-42.

TY  - CHAP
AU  - Lopandić, Zorana
AU  - Protić-Rosić, Isidora
AU  - Trbojević-Ivić, Jovana
AU  - Zlatanova, Milena
AU  - Gavrović-Jankulović, Marija
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6340
AB  - Ovalbumin (OVA) is the most abundant egg white protein. It is a globular, acidic phosphorylated glycoprotein of the serpin family with a molecular weight of 45 kDa. OVA is rich in essential amino acids and upon proteolytic digestion yields bioactive peptides (BAPs), recognized nutraceuticals with hypotensive, antimicrobial, antioxidant, and anticancer properties that contribute to the overall nutritional and health benefits of eggs. OVA is a common choice in the food, biomedical, and pharmaceutical industries due to its useful properties during food processing, capacity to form biocompatible gels, and special properties as an effective transporter for a variety of nutraceuticals and pharmaceuticals. Cellular agriculture is an innovative interdisciplinary approach that bypasses conventional animal husbandry in the production of animal proteins. OVA expressed in Trichoderma reesei (T. reesei) most closely mimics the structural and functional properties of its natural homolog and is therefore considered a sustainable alternative to chicken egg white protein powder.
Egg allergy poses serious concerns for food safety and an important socioeconomic burden to the food sector and public health. OVA has been extensively studied as an important egg allergen in mice and in vitro experimental models, providing fundamental insights into the molecular mechanisms of allergy and identifying new therapeutic targets. This chapter focuses on providing a comprehensive overview of the state-of-the-art of OVA in human nutrition and the food industry. After presenting the structure underlying the functional properties of OVA, we provide a critical perspective on cellular agriculture as a non-poultry production of OVA. Additionally, the detailed nutritional and biotechnological significance of OVA is elaborated. The final part of this chapter provides a comprehensive insight into OVA as a model antigen and food allergen from a food safety perspective.
PB  - Nova Science Publishers, Inc.
T2  - Advances in Health and Disease
T1  - Ovalbumin - Two Sides of the Same Coin
VL  - 74
SP  - 43
EP  - 100
ER  - 

@inbook{
author = "Lopandić, Zorana and Protić-Rosić, Isidora and Trbojević-Ivić, Jovana and Zlatanova, Milena and Gavrović-Jankulović, Marija",
year = "2023",
abstract = "Ovalbumin (OVA) is the most abundant egg white protein. It is a globular, acidic phosphorylated glycoprotein of the serpin family with a molecular weight of 45 kDa. OVA is rich in essential amino acids and upon proteolytic digestion yields bioactive peptides (BAPs), recognized nutraceuticals with hypotensive, antimicrobial, antioxidant, and anticancer properties that contribute to the overall nutritional and health benefits of eggs. OVA is a common choice in the food, biomedical, and pharmaceutical industries due to its useful properties during food processing, capacity to form biocompatible gels, and special properties as an effective transporter for a variety of nutraceuticals and pharmaceuticals. Cellular agriculture is an innovative interdisciplinary approach that bypasses conventional animal husbandry in the production of animal proteins. OVA expressed in Trichoderma reesei (T. reesei) most closely mimics the structural and functional properties of its natural homolog and is therefore considered a sustainable alternative to chicken egg white protein powder.
Egg allergy poses serious concerns for food safety and an important socioeconomic burden to the food sector and public health. OVA has been extensively studied as an important egg allergen in mice and in vitro experimental models, providing fundamental insights into the molecular mechanisms of allergy and identifying new therapeutic targets. This chapter focuses on providing a comprehensive overview of the state-of-the-art of OVA in human nutrition and the food industry. After presenting the structure underlying the functional properties of OVA, we provide a critical perspective on cellular agriculture as a non-poultry production of OVA. Additionally, the detailed nutritional and biotechnological significance of OVA is elaborated. The final part of this chapter provides a comprehensive insight into OVA as a model antigen and food allergen from a food safety perspective.",
publisher = "Nova Science Publishers, Inc.",
journal = "Advances in Health and Disease",
booktitle = "Ovalbumin - Two Sides of the Same Coin",
volume = "74",
pages = "43-100"
}

Lopandić, Z., Protić-Rosić, I., Trbojević-Ivić, J., Zlatanova, M.,& Gavrović-Jankulović, M.. (2023). Ovalbumin - Two Sides of the Same Coin. in Advances in Health and Disease
Nova Science Publishers, Inc.., 74, 43-100.

Lopandić Z, Protić-Rosić I, Trbojević-Ivić J, Zlatanova M, Gavrović-Jankulović M. Ovalbumin - Two Sides of the Same Coin. in Advances in Health and Disease. 2023;74:43-100..

Lopandić, Zorana, Protić-Rosić, Isidora, Trbojević-Ivić, Jovana, Zlatanova, Milena, Gavrović-Jankulović, Marija, "Ovalbumin - Two Sides of the Same Coin" in Advances in Health and Disease, 74 (2023):43-100.

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan B.
AU  - Blagojević, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - www.iccbikg2023.kg.ac.rs
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6342
AB  - Considering the properties of water and benzene molecules, one can expect very different benzene/benzene and water/water interactions. Benzene does not have a dipole moment, while water does. Analysis of the data in the crystal structures in the Cambridge Structural Database (CSD) revealed the most frequent benzene/benzene and water/water geometries. The majority of the benzene/benzene interactions in the crystal structures in the CSD are stacking interactions with large horizontal displacements, and not geometries that are minima on benzene/benzene potential surface. A large number of the water/water contacts in the CSD are hydrogen bonds, 70% of all attractive water/water interactions. In addition, water/water contacts with two water forming antiparallel interactions are 20% of all attractive water/water contacts. In these contacts, the O-H bonds of water molecules are in antiparallel orientation. In benzene/benzene interactions at large horizontal displacements, two C-H bonds also are in the antiparallel orientation. This shows that although the two molecules are different, both of them form antiparallel interactions with a local O-H and C-H dipole moments.
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia
T1  - Benzene and water – different or similar?
ER  - 

@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Ninković, Dragan B. and Blagojević, Jelena P. and Zarić, Snežana D.",
year = "2023",
abstract = "Considering the properties of water and benzene molecules, one can expect very different benzene/benzene and water/water interactions. Benzene does not have a dipole moment, while water does. Analysis of the data in the crystal structures in the Cambridge Structural Database (CSD) revealed the most frequent benzene/benzene and water/water geometries. The majority of the benzene/benzene interactions in the crystal structures in the CSD are stacking interactions with large horizontal displacements, and not geometries that are minima on benzene/benzene potential surface. A large number of the water/water contacts in the CSD are hydrogen bonds, 70% of all attractive water/water interactions. In addition, water/water contacts with two water forming antiparallel interactions are 20% of all attractive water/water contacts. In these contacts, the O-H bonds of water molecules are in antiparallel orientation. In benzene/benzene interactions at large horizontal displacements, two C-H bonds also are in the antiparallel orientation. This shows that although the two molecules are different, both of them form antiparallel interactions with a local O-H and C-H dipole moments.",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia",
title = "Benzene and water – different or similar?"
}

Milovanović, M. R., Živković, J. M., Ninković, D. B., Blagojević, J. P.,& Zarić, S. D.. (2023). Benzene and water – different or similar?. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia.

Milovanović MR, Živković JM, Ninković DB, Blagojević JP, Zarić SD. Benzene and water – different or similar?. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia. 2023;..

Milovanović, Milan R., Živković, Jelena M., Ninković, Dragan B., Blagojević, Jelena P., Zarić, Snežana D., "Benzene and water – different or similar?" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia (2023).

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Stanković, Ivana M.
AU  - Ninković, Dragan B.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - www.iccbikg2023.kg.ac.rs
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6346
AB  - Water is one of the most important molecules on the Earth. Since water plays a crucial role in many life processes, it is of great importance to understand every aspect of its behavior and interactions with itself and its surroundings. It is known that water molecules can interact via classical hydrogen bonds and antiparallel interactions, with interaction energies of - 5.02 kcal/mol and -4.22 kcal/mol, respectively. Besides these attractive interactions, repulsive interactions were also noticed. In this work, we analyzed repulsive water-water contacts from the Cambridge Structural Database. All interaction energies were calculated at the so- called gold standard, i.e., CCSD(T)/CBS level of theory. It was found that among all water-water contacts, ca. 20% (2035 contacts) are repulsive with interaction energies mainly up to 2 kcal/mol. Most of these repulsive contacts do not belong to two main groups of water-water contacts. Namely, 12.8% of all repulsive contacts can be classified as classical hydrogen bonds, 2.1% to the antiparallel interactions, and the rest (85.3%) as remaining contacts. This study points out that additional attention should be paid when one deals with contacts including water or, eventually, hydrogen atoms in general.
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Repulsive water-water contacts from Cambridge Structural Database
SP  - 637
EP  - 640
ER  - 

@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Stanković, Ivana M. and Ninković, Dragan B. and Zarić, Snežana D.",
year = "2023",
abstract = "Water is one of the most important molecules on the Earth. Since water plays a crucial role in many life processes, it is of great importance to understand every aspect of its behavior and interactions with itself and its surroundings. It is known that water molecules can interact via classical hydrogen bonds and antiparallel interactions, with interaction energies of - 5.02 kcal/mol and -4.22 kcal/mol, respectively. Besides these attractive interactions, repulsive interactions were also noticed. In this work, we analyzed repulsive water-water contacts from the Cambridge Structural Database. All interaction energies were calculated at the so- called gold standard, i.e., CCSD(T)/CBS level of theory. It was found that among all water-water contacts, ca. 20% (2035 contacts) are repulsive with interaction energies mainly up to 2 kcal/mol. Most of these repulsive contacts do not belong to two main groups of water-water contacts. Namely, 12.8% of all repulsive contacts can be classified as classical hydrogen bonds, 2.1% to the antiparallel interactions, and the rest (85.3%) as remaining contacts. This study points out that additional attention should be paid when one deals with contacts including water or, eventually, hydrogen atoms in general.",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Repulsive water-water contacts from Cambridge Structural Database",
pages = "637-640"
}

Milovanović, M. R., Živković, J. M., Stanković, I. M., Ninković, D. B.,& Zarić, S. D.. (2023). Repulsive water-water contacts from Cambridge Structural Database. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023, 637-640.

Milovanović MR, Živković JM, Stanković IM, Ninković DB, Zarić SD. Repulsive water-water contacts from Cambridge Structural Database. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;:637-640..

Milovanović, Milan R., Živković, Jelena M., Stanković, Ivana M., Ninković, Dragan B., Zarić, Snežana D., "Repulsive water-water contacts from Cambridge Structural Database" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023):637-640.

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan B.
AU  - Blagojević, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - https://physics.mff.cuni.cz/kchfo/MIB23
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6350
AB  - Considering properties of water and benzene molecules, one can expect very different benzene/benzene and water/water interactions. Benzene does not have a dipole moment, while water has. Quantum chemical calculations showed that minima on potential surface of water/water interactions is hydrogen bond, where dipole moment of water plays important role. The calculations show that the minima on potential surface for benzene/benzene interactions are stacking (parallel displaced) geometry and T-shaped geometry. Analysis of the data in the crystal structures in the Cambridge Structural Database (CSD) revealed the most frequent benzene/benzene and water/water geometries. Majority of the benzene/benzene interactions in the crystal structures in the CSD are tacking interactions with large horizontal displacements, and not geometries that are minima on benzene/benzene potential surface. Large number of the water/water contacts in the CSD are hydrogen bonds, 70% of all attractive water/water interactions. In addition water/water contacts with two water forming antiparallel interactions are 20% of all attractive water/water contacts. In these contacts O-H bonds of water molecules are in antiparallel orientation (Fig. 1). In benzene/benzene interactions at large horizontal displacements two C-H bonds also are in the antiparallel orientation (Fig. 1).
C3  - Modeling Interactions in Biomolecules IX, Pruhonice, 10th-14th September 2023
T1  - Differences and Similarities in Benzene/Benzene and Water/Water Interactions
SP  - 56
EP  - 56
ER  - 

@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Ninković, Dragan B. and Blagojević, Jelena P. and Zarić, Snežana D.",
year = "2023",
abstract = "Considering properties of water and benzene molecules, one can expect very different benzene/benzene and water/water interactions. Benzene does not have a dipole moment, while water has. Quantum chemical calculations showed that minima on potential surface of water/water interactions is hydrogen bond, where dipole moment of water plays important role. The calculations show that the minima on potential surface for benzene/benzene interactions are stacking (parallel displaced) geometry and T-shaped geometry. Analysis of the data in the crystal structures in the Cambridge Structural Database (CSD) revealed the most frequent benzene/benzene and water/water geometries. Majority of the benzene/benzene interactions in the crystal structures in the CSD are tacking interactions with large horizontal displacements, and not geometries that are minima on benzene/benzene potential surface. Large number of the water/water contacts in the CSD are hydrogen bonds, 70% of all attractive water/water interactions. In addition water/water contacts with two water forming antiparallel interactions are 20% of all attractive water/water contacts. In these contacts O-H bonds of water molecules are in antiparallel orientation (Fig. 1). In benzene/benzene interactions at large horizontal displacements two C-H bonds also are in the antiparallel orientation (Fig. 1).",
journal = "Modeling Interactions in Biomolecules IX, Pruhonice, 10th-14th September 2023",
title = "Differences and Similarities in Benzene/Benzene and Water/Water Interactions",
pages = "56-56"
}

Milovanović, M. R., Živković, J. M., Ninković, D. B., Blagojević, J. P.,& Zarić, S. D.. (2023). Differences and Similarities in Benzene/Benzene and Water/Water Interactions. in Modeling Interactions in Biomolecules IX, Pruhonice, 10th-14th September 2023, 56-56.

Milovanović MR, Živković JM, Ninković DB, Blagojević JP, Zarić SD. Differences and Similarities in Benzene/Benzene and Water/Water Interactions. in Modeling Interactions in Biomolecules IX, Pruhonice, 10th-14th September 2023. 2023;:56-56..

Milovanović, Milan R., Živković, Jelena M., Ninković, Dragan B., Blagojević, Jelena P., Zarić, Snežana D., "Differences and Similarities in Benzene/Benzene and Water/Water Interactions" in Modeling Interactions in Biomolecules IX, Pruhonice, 10th-14th September 2023 (2023):56-56.