TY  - JOUR
AU  - Dinić, Ivana
AU  - Vuković, Marina
AU  - Rabanal, Maria Eugenia
AU  - Milošević, Milica
AU  - Bukumira, Marta
AU  - Tomić, Nina
AU  - Tomić, Miloš
AU  - Mančić, Lidija
AU  - Ignjatović, Nenad
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6477
AB  - Y0.8−xGdxF3:Yb/Er mesocrystals with a biocompatible surface and diverse morphological characteristics were successfully synthesized using chitosan-assisted solvothermal processing. Their structural properties, studied using X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning and transmission electron microscopy and energy dispersive X-ray analysis, were further correlated with the up-conversion emission (λexc = 976 nm) recorded in function of temperature. Based on the change in the visible green emissions originating from the thermally coupled 2H11/2 and 4S3/2 levels of Er3+, the corresponding LIR was acquired in the physiologically relevant range of temperatures (25–50 °C). The detected absolute sensitivity of about 0.0042 °C−1, along with the low cytotoxicity toward both normal human lung fibroblasts (MRC-5) and cancerous lung epithelial (A549) cells, indicate a potential for use in temperature sensing in biomedicine. Additionally, their enhanced internalization in cells, without suppression of cell viability, enabled in vitro labeling of cancer and healthy cells upon 976 nm laser irradiation.
PB  - MDPI
T2  - Journal of Functional Biomaterials
T1  - Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals
VL  - 15
IS  - 1
SP  - 6
DO  - 10.3390/jfb15010006
ER  - 

@article{
author = "Dinić, Ivana and Vuković, Marina and Rabanal, Maria Eugenia and Milošević, Milica and Bukumira, Marta and Tomić, Nina and Tomić, Miloš and Mančić, Lidija and Ignjatović, Nenad",
year = "2024",
abstract = "Y0.8−xGdxF3:Yb/Er mesocrystals with a biocompatible surface and diverse morphological characteristics were successfully synthesized using chitosan-assisted solvothermal processing. Their structural properties, studied using X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning and transmission electron microscopy and energy dispersive X-ray analysis, were further correlated with the up-conversion emission (λexc = 976 nm) recorded in function of temperature. Based on the change in the visible green emissions originating from the thermally coupled 2H11/2 and 4S3/2 levels of Er3+, the corresponding LIR was acquired in the physiologically relevant range of temperatures (25–50 °C). The detected absolute sensitivity of about 0.0042 °C−1, along with the low cytotoxicity toward both normal human lung fibroblasts (MRC-5) and cancerous lung epithelial (A549) cells, indicate a potential for use in temperature sensing in biomedicine. Additionally, their enhanced internalization in cells, without suppression of cell viability, enabled in vitro labeling of cancer and healthy cells upon 976 nm laser irradiation.",
publisher = "MDPI",
journal = "Journal of Functional Biomaterials",
title = "Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals",
volume = "15",
number = "1",
pages = "6",
doi = "10.3390/jfb15010006"
}

Dinić, I., Vuković, M., Rabanal, M. E., Milošević, M., Bukumira, M., Tomić, N., Tomić, M., Mančić, L.,& Ignjatović, N.. (2024). Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals. in Journal of Functional Biomaterials
MDPI., 15(1), 6.
https://doi.org/10.3390/jfb15010006

Dinić I, Vuković M, Rabanal ME, Milošević M, Bukumira M, Tomić N, Tomić M, Mančić L, Ignjatović N. Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals. in Journal of Functional Biomaterials. 2024;15(1):6.
doi:10.3390/jfb15010006 .

Dinić, Ivana, Vuković, Marina, Rabanal, Maria Eugenia, Milošević, Milica, Bukumira, Marta, Tomić, Nina, Tomić, Miloš, Mančić, Lidija, Ignjatović, Nenad, "Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals" in Journal of Functional Biomaterials, 15, no. 1 (2024):6,
https://doi.org/10.3390/jfb15010006 . .

TY  - JOUR
AU  - Milovanović, Milan R.
AU  - Zarić, Snežana D.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6445
AB  - New modes of interaction, antiparallel O–H/O–H interactions of alcohol–alcohol dimers and alcohol–water dimers, were studied by analyzing data in the Cambridge Structural Database (CSD) and by calculating potential energy surfaces at a very accurate quantum chemical CCSD(T)/CBS level. The data reveal the existence of antiparallel interactions in crystal structures and significant interaction energies. Data from the CSD for alcohol–alcohol dimers show 49.2% of contacts with classical hydrogen bonds and 10.1% of contacts with antiparallel interactions, while for alcohol–water dimers, 59.4% of contacts are classical hydrogen bonds and only 0.6% of contacts are antiparallel interactions. The calculations were performed on methanol, ethanol, and n-propanol dimers. Classical hydrogen-bonded alcohol–alcohol and alcohol–water dimers have interaction energies of up to −6.2 kcal/mol and up to −5.5 kcal/mol, respectively. Antiparallel interactions in alcohol–alcohol and alcohol–water dimers have interaction energies of up to −4.7 kcal/mol and up to −4.4 kcal/mol, respectively. Symmetry-adapted perturbation theory analysis for antiparallel interactions shows their electrostatic nature.
PB  - American Chemical Society
T2  - Journal of Physical Chemistry Letters
T1  - New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions
VL  - 15
SP  - 1294
EP  - 1304
DO  - 10.1021/acs.jpclett.3c03399
ER  - 

@article{
author = "Milovanović, Milan R. and Zarić, Snežana D.",
year = "2024",
abstract = "New modes of interaction, antiparallel O–H/O–H interactions of alcohol–alcohol dimers and alcohol–water dimers, were studied by analyzing data in the Cambridge Structural Database (CSD) and by calculating potential energy surfaces at a very accurate quantum chemical CCSD(T)/CBS level. The data reveal the existence of antiparallel interactions in crystal structures and significant interaction energies. Data from the CSD for alcohol–alcohol dimers show 49.2% of contacts with classical hydrogen bonds and 10.1% of contacts with antiparallel interactions, while for alcohol–water dimers, 59.4% of contacts are classical hydrogen bonds and only 0.6% of contacts are antiparallel interactions. The calculations were performed on methanol, ethanol, and n-propanol dimers. Classical hydrogen-bonded alcohol–alcohol and alcohol–water dimers have interaction energies of up to −6.2 kcal/mol and up to −5.5 kcal/mol, respectively. Antiparallel interactions in alcohol–alcohol and alcohol–water dimers have interaction energies of up to −4.7 kcal/mol and up to −4.4 kcal/mol, respectively. Symmetry-adapted perturbation theory analysis for antiparallel interactions shows their electrostatic nature.",
publisher = "American Chemical Society",
journal = "Journal of Physical Chemistry Letters",
title = "New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions",
volume = "15",
pages = "1294-1304",
doi = "10.1021/acs.jpclett.3c03399"
}

Milovanović, M. R.,& Zarić, S. D.. (2024). New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions. in Journal of Physical Chemistry Letters
American Chemical Society., 15, 1294-1304.
https://doi.org/10.1021/acs.jpclett.3c03399

Milovanović MR, Zarić SD. New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions. in Journal of Physical Chemistry Letters. 2024;15:1294-1304.
doi:10.1021/acs.jpclett.3c03399 .

Milovanović, Milan R., Zarić, Snežana D., "New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions" in Journal of Physical Chemistry Letters, 15 (2024):1294-1304,
https://doi.org/10.1021/acs.jpclett.3c03399 . .

TY  - JOUR
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka Z.
AU  - Zarić, Snežana D.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6457
AB  - Interactions of coordinated ammonia and C6-aromatic rings were studied by analyzing crystal structures in the Cambridge Structural Database (CSD) and by quantum chemical calculations. Interactions between coordinated ammonia and C6-aromatic rings in the crystal structures from the CSD can have one, two, or three ammine ligands interacting with the aromatic ring, while the most frequent are the interactions with one interacting ammine ligand. The distance between coordinated ammonia and the aromatic ring is significantly influenced by charges of the species; the shortest distances were observed for interactions with oppositely charged species. The interaction energies were calculated in model systems between the benzene molecule and coordinated ammonia in metal ammine complexes. In the calculations, we studied the influence of the number of interacting ammine ligands, the complex charge, the metal atom size and the coordination number on the strength of the interactions. The results show that the interaction strength increases with an increasing number of interacting ammine ligands, with an increasing complex charge and with a decreasing metal atom size and the coordination number in the ammine complex. For example, the interaction between the [Co(NH3)6]3+ complex and benzene is the weakest in the case of one interacting ammine ligand (−30.82 kcal/mol), stronger in the case of two interacting ammine ligands (−33.61 kcal/mol), and the strongest in the case of three interacting ligands (−34.16 kcal/mol). For metal complexes with charges +1, +2, and +3, the calculated interaction energies with one interacting ammine ligand can be as strong as −10.51, −15.75, and −30.82 kcal/mol. Complexes [Ni(NH3)6]2+ and [Cd(NH3)6]2+ differ by the metal atom size. The interaction is stronger in the case of the smaller [Ni(NH3)6]2+ complex (−15.75 kcal/mol) compared to the larger [Cd(NH3)6]2+ complex (−12.94 kcal/mol). In addition, complexes with coordination number four form stronger interactions than complexes with coordination number six. In the cases with two interacting ammine ligands, the interacting energy in the [Pt(NH3)4]2+/benzene system is −22.09 kcal/mol, while in the [Cd(NH3)6]2+/benzene system, it is −14.93 kcal/mol.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere
VL  - 24
IS  - 4
SP  - 1705
EP  - 1714
DO  - 10.1021/acs.cgd.3c01346
ER  - 

@article{
author = "Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka Z. and Zarić, Snežana D.",
year = "2024",
abstract = "Interactions of coordinated ammonia and C6-aromatic rings were studied by analyzing crystal structures in the Cambridge Structural Database (CSD) and by quantum chemical calculations. Interactions between coordinated ammonia and C6-aromatic rings in the crystal structures from the CSD can have one, two, or three ammine ligands interacting with the aromatic ring, while the most frequent are the interactions with one interacting ammine ligand. The distance between coordinated ammonia and the aromatic ring is significantly influenced by charges of the species; the shortest distances were observed for interactions with oppositely charged species. The interaction energies were calculated in model systems between the benzene molecule and coordinated ammonia in metal ammine complexes. In the calculations, we studied the influence of the number of interacting ammine ligands, the complex charge, the metal atom size and the coordination number on the strength of the interactions. The results show that the interaction strength increases with an increasing number of interacting ammine ligands, with an increasing complex charge and with a decreasing metal atom size and the coordination number in the ammine complex. For example, the interaction between the [Co(NH3)6]3+ complex and benzene is the weakest in the case of one interacting ammine ligand (−30.82 kcal/mol), stronger in the case of two interacting ammine ligands (−33.61 kcal/mol), and the strongest in the case of three interacting ligands (−34.16 kcal/mol). For metal complexes with charges +1, +2, and +3, the calculated interaction energies with one interacting ammine ligand can be as strong as −10.51, −15.75, and −30.82 kcal/mol. Complexes [Ni(NH3)6]2+ and [Cd(NH3)6]2+ differ by the metal atom size. The interaction is stronger in the case of the smaller [Ni(NH3)6]2+ complex (−15.75 kcal/mol) compared to the larger [Cd(NH3)6]2+ complex (−12.94 kcal/mol). In addition, complexes with coordination number four form stronger interactions than complexes with coordination number six. In the cases with two interacting ammine ligands, the interacting energy in the [Pt(NH3)4]2+/benzene system is −22.09 kcal/mol, while in the [Cd(NH3)6]2+/benzene system, it is −14.93 kcal/mol.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere",
volume = "24",
number = "4",
pages = "1705-1714",
doi = "10.1021/acs.cgd.3c01346"
}

Blagojević Filipović, J. P., Vojislavljević-Vasilev, D. Z.,& Zarić, S. D.. (2024). Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere. in Crystal Growth & Design
American Chemical Society., 24(4), 1705-1714.
https://doi.org/10.1021/acs.cgd.3c01346

Blagojević Filipović JP, Vojislavljević-Vasilev DZ, Zarić SD. Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere. in Crystal Growth & Design. 2024;24(4):1705-1714.
doi:10.1021/acs.cgd.3c01346 .

Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka Z., Zarić, Snežana D., "Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere" in Crystal Growth & Design, 24, no. 4 (2024):1705-1714,
https://doi.org/10.1021/acs.cgd.3c01346 . .

TY  - JOUR
AU  - Lazović, Mila
AU  - Ivković, Đurđa
AU  - Jankov, Milica
AU  - Dimkić, Ivica
AU  - Janakiev, Tamara
AU  - Trifković, Jelena
AU  - Milojković-Opsenica, Dušanka
AU  - Ristivojević, Petar
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6444
AB  - Due to the promising applications of propolis as a natural food preservative, functional ingredient or supplement, on one side, and the inherent toxicity and high volatility of organic solvents used for extraction of phenolics from propolis, a range of natural eutectic solvents (NESs) was evaluated for the extraction of phenolic compounds from poplar type propolis to create “green-labelled” food products. The phenolic profile of novel green propolis extracts was evaluated using high-performance thin-layer chromatography, while 16 phenolic compounds were quantified by ultra-high-performance liquid chromatography hyphenated with mass spectrometry. Pinocembrin and chrysin were the most dominant phenolics with an average concentration of 3111 and 3039 mg/kg in lactic acid-based NES, respectively. Biological activity, such as antioxidative and antimicrobial activities, were determined using spectrophotometric and well diffusion methods. Considering all spectrophotometric assays lactic acid-based presented as the best extraction medium for phenolic extraction, with TPC, TFC and RSA values 150.0 mg GAE/g, 190.0 mg RUE/g, and 132.8 mg TE/g on average, respectively. From 38 studied NESs, choline-chloride:tartaric acid (1:1 n/n), glycerol:lactic acid (1:1 n/n) and glycine: lactic acid (1:3 n/n) were the most promising extraction medium for obtaining the propolis extracts enriched with bioactive compounds. Additionally, proposed green solvents were proved to be the designer solvents and showed potential to be tuned to target specific phenolic compounds. Improved, or at least maintained, biological activity of NES propolis extracts support its application in agriculture industry.
PB  - Elsevier
T2  - Food Bioscience
T1  - Enhancement of propolis food preservation and functional ingredient characteristics by natural eutectic solvents extraction of phytochemicals
VL  - 57
SP  - 103467
DO  - 10.1016/j.fbio.2023.103467
ER  - 

@article{
author = "Lazović, Mila and Ivković, Đurđa and Jankov, Milica and Dimkić, Ivica and Janakiev, Tamara and Trifković, Jelena and Milojković-Opsenica, Dušanka and Ristivojević, Petar",
year = "2024",
abstract = "Due to the promising applications of propolis as a natural food preservative, functional ingredient or supplement, on one side, and the inherent toxicity and high volatility of organic solvents used for extraction of phenolics from propolis, a range of natural eutectic solvents (NESs) was evaluated for the extraction of phenolic compounds from poplar type propolis to create “green-labelled” food products. The phenolic profile of novel green propolis extracts was evaluated using high-performance thin-layer chromatography, while 16 phenolic compounds were quantified by ultra-high-performance liquid chromatography hyphenated with mass spectrometry. Pinocembrin and chrysin were the most dominant phenolics with an average concentration of 3111 and 3039 mg/kg in lactic acid-based NES, respectively. Biological activity, such as antioxidative and antimicrobial activities, were determined using spectrophotometric and well diffusion methods. Considering all spectrophotometric assays lactic acid-based presented as the best extraction medium for phenolic extraction, with TPC, TFC and RSA values 150.0 mg GAE/g, 190.0 mg RUE/g, and 132.8 mg TE/g on average, respectively. From 38 studied NESs, choline-chloride:tartaric acid (1:1 n/n), glycerol:lactic acid (1:1 n/n) and glycine: lactic acid (1:3 n/n) were the most promising extraction medium for obtaining the propolis extracts enriched with bioactive compounds. Additionally, proposed green solvents were proved to be the designer solvents and showed potential to be tuned to target specific phenolic compounds. Improved, or at least maintained, biological activity of NES propolis extracts support its application in agriculture industry.",
publisher = "Elsevier",
journal = "Food Bioscience",
title = "Enhancement of propolis food preservation and functional ingredient characteristics by natural eutectic solvents extraction of phytochemicals",
volume = "57",
pages = "103467",
doi = "10.1016/j.fbio.2023.103467"
}

Lazović, M., Ivković, Đ., Jankov, M., Dimkić, I., Janakiev, T., Trifković, J., Milojković-Opsenica, D.,& Ristivojević, P.. (2024). Enhancement of propolis food preservation and functional ingredient characteristics by natural eutectic solvents extraction of phytochemicals. in Food Bioscience
Elsevier., 57, 103467.
https://doi.org/10.1016/j.fbio.2023.103467

Lazović M, Ivković Đ, Jankov M, Dimkić I, Janakiev T, Trifković J, Milojković-Opsenica D, Ristivojević P. Enhancement of propolis food preservation and functional ingredient characteristics by natural eutectic solvents extraction of phytochemicals. in Food Bioscience. 2024;57:103467.
doi:10.1016/j.fbio.2023.103467 .

Lazović, Mila, Ivković, Đurđa, Jankov, Milica, Dimkić, Ivica, Janakiev, Tamara, Trifković, Jelena, Milojković-Opsenica, Dušanka, Ristivojević, Petar, "Enhancement of propolis food preservation and functional ingredient characteristics by natural eutectic solvents extraction of phytochemicals" in Food Bioscience, 57 (2024):103467,
https://doi.org/10.1016/j.fbio.2023.103467 . .

TY  - JOUR
AU  - Živković, Jelena M.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6251
AB  - The recent results on fluorinated cubanes showed good electron accepting abilities of octafluorocubane. Here we did the calculation of electrostatic potentials for cubane and its fluorinated derivatives. Maps of the electrostatic potential of fluorinated cubanes show regions, in the cores of the molecules, with significant positive potential (34.5 to 45.5 kcal/mol), which is in accordance with experimentally observed electron accepting abilities of the fluorinated cubanes. The increasing number of fluorine on the cubane increases positive potentials in the core of the molecule. Maps of electrostatic potentials can also explain structural motifs in crystals of fluorinated cubanes.
PB  - Elsevier
T2  - Chemical Physics Letters
T1  - Correlation of electrostatic potentials and electron accepting properties of fluorinated cubanes
VL  - 823
SP  - 140509
DO  - 10.1016/j.cplett.2023.140509
ER  - 

@article{
author = "Živković, Jelena M. and Zarić, Snežana D.",
year = "2023",
abstract = "The recent results on fluorinated cubanes showed good electron accepting abilities of octafluorocubane. Here we did the calculation of electrostatic potentials for cubane and its fluorinated derivatives. Maps of the electrostatic potential of fluorinated cubanes show regions, in the cores of the molecules, with significant positive potential (34.5 to 45.5 kcal/mol), which is in accordance with experimentally observed electron accepting abilities of the fluorinated cubanes. The increasing number of fluorine on the cubane increases positive potentials in the core of the molecule. Maps of electrostatic potentials can also explain structural motifs in crystals of fluorinated cubanes.",
publisher = "Elsevier",
journal = "Chemical Physics Letters",
title = "Correlation of electrostatic potentials and electron accepting properties of fluorinated cubanes",
volume = "823",
pages = "140509",
doi = "10.1016/j.cplett.2023.140509"
}

Živković, J. M.,& Zarić, S. D.. (2023). Correlation of electrostatic potentials and electron accepting properties of fluorinated cubanes. in Chemical Physics Letters
Elsevier., 823, 140509.
https://doi.org/10.1016/j.cplett.2023.140509

Živković JM, Zarić SD. Correlation of electrostatic potentials and electron accepting properties of fluorinated cubanes. in Chemical Physics Letters. 2023;823:140509.
doi:10.1016/j.cplett.2023.140509 .

Živković, Jelena M., Zarić, Snežana D., "Correlation of electrostatic potentials and electron accepting properties of fluorinated cubanes" in Chemical Physics Letters, 823 (2023):140509,
https://doi.org/10.1016/j.cplett.2023.140509 . .

TY  - CONF
AU  - Zrilić, Sonja S.
AU  - Živković, Jelena
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6335
AB  - The interaction energy of phthalimide and carbon nanotube calculated at SAPT0/6-
31G* level is -17.37 kcal/mol. After the substitution of phthalimide with a hydroxyl group
interaction was stronger (-18.64 kcal/mol) because of the larger dispersion followed by an
increase in the molecular planar surface and an increased electrostatic term due to the additional
electronegative oxygen atom. When a hexafluoroisopropyl group is used as a substituent (ph6F/CNT), the molecule loses planarity and the dispersion term only slightly increases, but not
enough to compensate for the unfavorable shift in the exchange interaction contribution. Thus,
the resulting interaction energy in the ph-6F/CNT system is weaker (16.63 kcal/mol) than in the
original ph/CNT system. Electrostatic contributions are also significant, with the largest value
calculated for ph-OH/CNT (11.32 kcal/mol), because of the additional electronegative oxygen
atom in the hydroxyl group. The other two systems, ph/CNT and ph-6F/CNT have electrostatic
interactions of 10.14 and 10.05 kcal/mol, respectively. Exchange interaction is more repulsive for
ph-OH (+26.60 kcal/mol) and ph-6F (+26.29 kcal/mol) systems than the ph/CNT (+24.86 kcal/mol).
PB  - Institute for Information Technologies, University of Kragujevac, Serbia
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia
T1  - Influence of phthalimide substitution on the interaction with carbon nanotube
SP  - 662
EP  - 665
DO  - 10.46793/ICCBI23.662Z
ER  - 

@conference{
author = "Zrilić, Sonja S. and Živković, Jelena and Zarić, Snežana D.",
year = "2023",
abstract = "The interaction energy of phthalimide and carbon nanotube calculated at SAPT0/6-
31G* level is -17.37 kcal/mol. After the substitution of phthalimide with a hydroxyl group
interaction was stronger (-18.64 kcal/mol) because of the larger dispersion followed by an
increase in the molecular planar surface and an increased electrostatic term due to the additional
electronegative oxygen atom. When a hexafluoroisopropyl group is used as a substituent (ph6F/CNT), the molecule loses planarity and the dispersion term only slightly increases, but not
enough to compensate for the unfavorable shift in the exchange interaction contribution. Thus,
the resulting interaction energy in the ph-6F/CNT system is weaker (16.63 kcal/mol) than in the
original ph/CNT system. Electrostatic contributions are also significant, with the largest value
calculated for ph-OH/CNT (11.32 kcal/mol), because of the additional electronegative oxygen
atom in the hydroxyl group. The other two systems, ph/CNT and ph-6F/CNT have electrostatic
interactions of 10.14 and 10.05 kcal/mol, respectively. Exchange interaction is more repulsive for
ph-OH (+26.60 kcal/mol) and ph-6F (+26.29 kcal/mol) systems than the ph/CNT (+24.86 kcal/mol).",
publisher = "Institute for Information Technologies, University of Kragujevac, Serbia",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia",
title = "Influence of phthalimide substitution on the interaction with carbon nanotube",
pages = "662-665",
doi = "10.46793/ICCBI23.662Z"
}

Zrilić, S. S., Živković, J.,& Zarić, S. D.. (2023). Influence of phthalimide substitution on the interaction with carbon nanotube. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia
Institute for Information Technologies, University of Kragujevac, Serbia., 662-665.
https://doi.org/10.46793/ICCBI23.662Z

Zrilić SS, Živković J, Zarić SD. Influence of phthalimide substitution on the interaction with carbon nanotube. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia. 2023;:662-665.
doi:10.46793/ICCBI23.662Z .

Zrilić, Sonja S., Živković, Jelena, Zarić, Snežana D., "Influence of phthalimide substitution on the interaction with carbon nanotube" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia (2023):662-665,
https://doi.org/10.46793/ICCBI23.662Z . .

TY  - CONF
AU  - Zrilić, Sonja S.
AU  - Živković, Jelena
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6336
AB  - Interaction energy of phthalimide (ph) with carbon nanotube (CNT) calculated at
SAPT0 level with a mixed basis set (6-31G* for CNT and 6-311G* for ph) is -19.51 kcal/mol. Halosubstitution of the phthalimide generally strengthens its interaction with the CNT and interaction
energies are in the range from -21.02 kcal/mol to -22.62 kcal/mol going from ph-Cl to ph-I.
However, interaction energy for phthalimide substituted with F atom (ph-F) is weaker
(-18.81 kcal/mol) than for non-substituted phthalimide. For ph-Cl, ph-Br, ph-I, the total
interaction energy increases with the higher halogen atomic number, because of the significant
dispersion term and, less pronounced, electrostatic term increase. The smallest dispersion is
calculated for ph-F/CNT (-28.72 kcal/mol), while the remaining systems range
from -31.51 kcal/mol for ph/CNT to -35.78 kcal/mol for ph-I/CNT. Apart from dispersion, the
system with fluorine has a less pronounced electrostatic term than other substituted phthalimides
and does not follow trends observed for other systems.
PB  - Institute for Information Technologies, University of Kragujevac, Serbia
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Interaction energy and decomposition of interaction energy of halo-substituted phthalimide with carbon nanotube
SP  - 666
EP  - 669
DO  - 10.46793/ICCBI23.666Z
ER  - 

@conference{
author = "Zrilić, Sonja S. and Živković, Jelena and Zarić, Snežana D.",
year = "2023",
abstract = "Interaction energy of phthalimide (ph) with carbon nanotube (CNT) calculated at
SAPT0 level with a mixed basis set (6-31G* for CNT and 6-311G* for ph) is -19.51 kcal/mol. Halosubstitution of the phthalimide generally strengthens its interaction with the CNT and interaction
energies are in the range from -21.02 kcal/mol to -22.62 kcal/mol going from ph-Cl to ph-I.
However, interaction energy for phthalimide substituted with F atom (ph-F) is weaker
(-18.81 kcal/mol) than for non-substituted phthalimide. For ph-Cl, ph-Br, ph-I, the total
interaction energy increases with the higher halogen atomic number, because of the significant
dispersion term and, less pronounced, electrostatic term increase. The smallest dispersion is
calculated for ph-F/CNT (-28.72 kcal/mol), while the remaining systems range
from -31.51 kcal/mol for ph/CNT to -35.78 kcal/mol for ph-I/CNT. Apart from dispersion, the
system with fluorine has a less pronounced electrostatic term than other substituted phthalimides
and does not follow trends observed for other systems.",
publisher = "Institute for Information Technologies, University of Kragujevac, Serbia",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Interaction energy and decomposition of interaction energy of halo-substituted phthalimide with carbon nanotube",
pages = "666-669",
doi = "10.46793/ICCBI23.666Z"
}

Zrilić, S. S., Živković, J.,& Zarić, S. D.. (2023). Interaction energy and decomposition of interaction energy of halo-substituted phthalimide with carbon nanotube. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
Institute for Information Technologies, University of Kragujevac, Serbia., 666-669.
https://doi.org/10.46793/ICCBI23.666Z

Zrilić SS, Živković J, Zarić SD. Interaction energy and decomposition of interaction energy of halo-substituted phthalimide with carbon nanotube. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;:666-669.
doi:10.46793/ICCBI23.666Z .

Zrilić, Sonja S., Živković, Jelena, Zarić, Snežana D., "Interaction energy and decomposition of interaction energy of halo-substituted phthalimide with carbon nanotube" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023):666-669,
https://doi.org/10.46793/ICCBI23.666Z . .

TY  - CONF
AU  - Zrilić, Sonja S.
AU  - Živković, Jelena
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6334
AB  - Using quantum chemistry calculations and analysis of crystal structures from the
Cambridge Structural Database (CSD), three types of hydrogen bonds, NH/O, O1/HO
(hydrogen bond of a coordinated oxygen atom), and O2/HO (hydrogen bond of a noncoordinated oxygen atom) between different metal ion complexes of amino acids and a
free water molecule were studied. Octahedral cobalt(III) [1] and nickel(II), square
pyramidal copper(II), square planar copper(II), palladium(II), and platinum(II)
complexes were investigated at M06L-GD3/def2-TZVPP level, and interaction energies
were calculated using basis set superposition error (BSSE) corrected values. The NH/O
hydrogen bond of a doubly positive complex has an interaction energy of -16.9 kcal/mol.
For singly positive complexes, NH/O hydrogen bonds are weaker, from -8.3 to -12.1
kcal/mol strong, while for neutral complexes their values are the weakest, from -5.2 to -
7.2 kcal/mol. In neutral complexes with O1/HO, interaction energies are from -2.2 to -
5.1 kcal/mol, while interactions in singly negatively charged complexes are stronger,
from -6.9 to 8.2 kcal/mol. Neutral complexes also have weaker O2/HO hydrogen bonds,
from -3.7 to -5.0 kcal/mol, than the singly negatively charged systems, which have
interaction energy values from -8.0 to -9.0 kcal/mol. Therefore, the results of quantum
chemistry calculations showed that the strongest hydrogen bond is the NH/O, followed
by O1/HO, and lastly, O2/HO interaction. The results also show a strong influence of
the complex charge on the interaction energy. Other factors that influence the interaction
energy to a smaller extent are metal oxidation number, coordination number, and metal
atomic number. In the crystal structures from the CSD search, the d distributions for
copper(II) and cobalt(III) amino acid complexes are in good agreement with the quantum
chemistry results.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists’ Club
C3  - 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science
T1  - The importance of the metal ion and complex geometry on the interaction between a coordinated amino acid and a free water  molecule
SP  - 108
EP  - 108
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6334
ER  - 

@conference{
author = "Zrilić, Sonja S. and Živković, Jelena and Zarić, Snežana D.",
year = "2023",
abstract = "Using quantum chemistry calculations and analysis of crystal structures from the
Cambridge Structural Database (CSD), three types of hydrogen bonds, NH/O, O1/HO
(hydrogen bond of a coordinated oxygen atom), and O2/HO (hydrogen bond of a noncoordinated oxygen atom) between different metal ion complexes of amino acids and a
free water molecule were studied. Octahedral cobalt(III) [1] and nickel(II), square
pyramidal copper(II), square planar copper(II), palladium(II), and platinum(II)
complexes were investigated at M06L-GD3/def2-TZVPP level, and interaction energies
were calculated using basis set superposition error (BSSE) corrected values. The NH/O
hydrogen bond of a doubly positive complex has an interaction energy of -16.9 kcal/mol.
For singly positive complexes, NH/O hydrogen bonds are weaker, from -8.3 to -12.1
kcal/mol strong, while for neutral complexes their values are the weakest, from -5.2 to -
7.2 kcal/mol. In neutral complexes with O1/HO, interaction energies are from -2.2 to -
5.1 kcal/mol, while interactions in singly negatively charged complexes are stronger,
from -6.9 to 8.2 kcal/mol. Neutral complexes also have weaker O2/HO hydrogen bonds,
from -3.7 to -5.0 kcal/mol, than the singly negatively charged systems, which have
interaction energy values from -8.0 to -9.0 kcal/mol. Therefore, the results of quantum
chemistry calculations showed that the strongest hydrogen bond is the NH/O, followed
by O1/HO, and lastly, O2/HO interaction. The results also show a strong influence of
the complex charge on the interaction energy. Other factors that influence the interaction
energy to a smaller extent are metal oxidation number, coordination number, and metal
atomic number. In the crystal structures from the CSD search, the d distributions for
copper(II) and cobalt(III) amino acid complexes are in good agreement with the quantum
chemistry results.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists’ Club",
journal = "9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science",
title = "The importance of the metal ion and complex geometry on the interaction between a coordinated amino acid and a free water  molecule",
pages = "108-108",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6334"
}

Zrilić, S. S., Živković, J.,& Zarić, S. D.. (2023). The importance of the metal ion and complex geometry on the interaction between a coordinated amino acid and a free water  molecule. in 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science
Belgrade : Serbian Chemical Society., 108-108.
https://hdl.handle.net/21.15107/rcub_cherry_6334

Zrilić SS, Živković J, Zarić SD. The importance of the metal ion and complex geometry on the interaction between a coordinated amino acid and a free water  molecule. in 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science. 2023;:108-108.
https://hdl.handle.net/21.15107/rcub_cherry_6334 .

Zrilić, Sonja S., Živković, Jelena, Zarić, Snežana D., "The importance of the metal ion and complex geometry on the interaction between a coordinated amino acid and a free water  molecule" in 9th Conference of Young Chemists of Serbia, Book of Abstracts, 4th November 2023, University of Novi Sad - Faculty of Science (2023):108-108,
https://hdl.handle.net/21.15107/rcub_cherry_6334 .

TY  - CONF
AU  - Blagojević Filipović, Jelena P.
AU  - Ninković, Dragan B.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6343
AB  - Noncovalent interactions at large distances play important role in molecular recognition processes, early steps of protein folding or design of supramolecular structures. Plateaus or even shallow minima can occur at potential energy curves of stacking interactions between certain ring types. Stacking interactions at large horizontal displacements are also frequently found in crystal structures of various rings. In this work we discuss how the horizontal displacement affects stacking interactions on the basis of interaction energy calculations and energy decomposition analysis performed by Symmetry-Adapted Perturbation Theory (SAPT). We compared aromatic/aromatic to aromatic/aliphatic stacking as well as stacking interactions involving resonance-assisted hydrogen bridged (RAHB) rings, including RAHB/RAHB and RAHB/aromatic interactions. Among RAHB rings we observed different behavior of polar and nonpolar RAHB molecules. A comparison of aromatic/aromatic and aromatic/aliphatic systems provides an insight into fundamental differences in the nature between these two interaction types, while comparing stacking involving RAHB rings we can observe difference between polar and nonpolar RAHB rings.
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Stacking Interactions at Large Horizontal Displacements—Comparison of Various Ring Types
SP  - 645
EP  - 648
DO  - 10.46793/ICCBI23.645BF
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6343
ER  - 

@conference{
author = "Blagojević Filipović, Jelena P. and Ninković, Dragan B. and Zarić, Snežana D.",
year = "2023",
abstract = "Noncovalent interactions at large distances play important role in molecular recognition processes, early steps of protein folding or design of supramolecular structures. Plateaus or even shallow minima can occur at potential energy curves of stacking interactions between certain ring types. Stacking interactions at large horizontal displacements are also frequently found in crystal structures of various rings. In this work we discuss how the horizontal displacement affects stacking interactions on the basis of interaction energy calculations and energy decomposition analysis performed by Symmetry-Adapted Perturbation Theory (SAPT). We compared aromatic/aromatic to aromatic/aliphatic stacking as well as stacking interactions involving resonance-assisted hydrogen bridged (RAHB) rings, including RAHB/RAHB and RAHB/aromatic interactions. Among RAHB rings we observed different behavior of polar and nonpolar RAHB molecules. A comparison of aromatic/aromatic and aromatic/aliphatic systems provides an insight into fundamental differences in the nature between these two interaction types, while comparing stacking involving RAHB rings we can observe difference between polar and nonpolar RAHB rings.",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Stacking Interactions at Large Horizontal Displacements—Comparison of Various Ring Types",
pages = "645-648",
doi = "10.46793/ICCBI23.645BF",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6343"
}

Blagojević Filipović, J. P., Ninković, D. B.,& Zarić, S. D.. (2023). Stacking Interactions at Large Horizontal Displacements—Comparison of Various Ring Types. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023, 645-648.
https://doi.org/10.46793/ICCBI23.645BF
https://hdl.handle.net/21.15107/rcub_cherry_6343

Blagojević Filipović JP, Ninković DB, Zarić SD. Stacking Interactions at Large Horizontal Displacements—Comparison of Various Ring Types. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;:645-648.
doi:10.46793/ICCBI23.645BF
https://hdl.handle.net/21.15107/rcub_cherry_6343 .

Blagojević Filipović, Jelena P., Ninković, Dragan B., Zarić, Snežana D., "Stacking Interactions at Large Horizontal Displacements—Comparison of Various Ring Types" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023):645-648,
https://doi.org/10.46793/ICCBI23.645BF .,
https://hdl.handle.net/21.15107/rcub_cherry_6343 .

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  - CONF
AU  - Malenov, Dušan P.
AU  - Blagojević Filipović, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6345
AB  - The effects of alkyl substituents on stacking interactions of aromatic ligands in organometallic compounds were studied on two most common ligands with substituents pentamethylcyclopentadienyl (Cp*) and 1-methyl-4-isopropylbenzene (p-cymene). The analysis ofgeometries of interactions found in crystal structures deposited in the Cambridge Structural Database indicated that substituents are involved in interactions with aromatic rings, indicating the combination of stacking and C-and p-cymene ligands. Quantum chemical calculations on p-cymene half-sandwich ruthenium(II) compound showed that additional CB97D2/def2-TZVP interaction energy between two p-cymenecomplexes is -7.56 kcal/mol, while the interaction energy between two corresponding benzene complexes is -3.93 kcal/mol. Ruthenium p-cymene complexes can engage in stacking interactions with large horizontal displacements combined with interactions between the substituents, with a significant interaction energy of -4.57 kcal/mol. These studies show that substituents strengthen stacking interactions of coordinated aromatic rings and modulate their geometries by providing additional simultaneous interactions.
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Substituent effects on stacking interactions of aromatic ligands in organometallic compounds – chemoinformatics and quantum chemical study
SP  - 625
EP  - 628
DO  - 10.46793/ICCBI23.625M
ER  - 

@conference{
author = "Malenov, Dušan P. and Blagojević Filipović, Jelena P. and Zarić, Snežana D.",
year = "2023",
abstract = "The effects of alkyl substituents on stacking interactions of aromatic ligands in organometallic compounds were studied on two most common ligands with substituents pentamethylcyclopentadienyl (Cp*) and 1-methyl-4-isopropylbenzene (p-cymene). The analysis ofgeometries of interactions found in crystal structures deposited in the Cambridge Structural Database indicated that substituents are involved in interactions with aromatic rings, indicating the combination of stacking and C-and p-cymene ligands. Quantum chemical calculations on p-cymene half-sandwich ruthenium(II) compound showed that additional CB97D2/def2-TZVP interaction energy between two p-cymenecomplexes is -7.56 kcal/mol, while the interaction energy between two corresponding benzene complexes is -3.93 kcal/mol. Ruthenium p-cymene complexes can engage in stacking interactions with large horizontal displacements combined with interactions between the substituents, with a significant interaction energy of -4.57 kcal/mol. These studies show that substituents strengthen stacking interactions of coordinated aromatic rings and modulate their geometries by providing additional simultaneous interactions.",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Substituent effects on stacking interactions of aromatic ligands in organometallic compounds – chemoinformatics and quantum chemical study",
pages = "625-628",
doi = "10.46793/ICCBI23.625M"
}

Malenov, D. P., Blagojević Filipović, J. P.,& Zarić, S. D.. (2023). Substituent effects on stacking interactions of aromatic ligands in organometallic compounds – chemoinformatics and quantum chemical study. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023, 625-628.
https://doi.org/10.46793/ICCBI23.625M

Malenov DP, Blagojević Filipović JP, Zarić SD. Substituent effects on stacking interactions of aromatic ligands in organometallic compounds – chemoinformatics and quantum chemical study. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;:625-628.
doi:10.46793/ICCBI23.625M .

Malenov, Dušan P., Blagojević Filipović, Jelena P., Zarić, Snežana D., "Substituent effects on stacking interactions of aromatic ligands in organometallic compounds – chemoinformatics and quantum chemical study" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023):625-628,
https://doi.org/10.46793/ICCBI23.625M . .

TY  - CONF
AU  - Blagojević Filipović, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6404
AB  - Resonance-assisted hydrogen-bridged rings (RAHB) are promising structures in material design due to synergistic effects between hydrogen bonding and resonance. We investigated mutual contacts between RAHB ring structures deposited in the Cambridge Structural Database (CSD), as well as contacts between RAHB rings and C6-aromatic fragments. Stacking interactions in crystal structures are identified by parallel alignment of interacting fragments and a characteristic distance between the planes of the interacting fragments, which is between 3.0 and 4.0 Å. The existence of stacking interactions is then confirmed by quantum chemical calculations of interaction energies at dimer model systems. Namely, more than 90% of mutual RAHB/RAHB contacts found in the CSD are parallel and anti oriented. A smaller part of RAHB/C6-aromatic contacts (around 60%) is in parallel orientation. Both RAHB/RAHB and RAHB/C6-aromatic contacts typically form parallel layers at a specific distance (between 3.0 and 4.0 Å), which distinguishes them from benzene/benzene parallel contacts found in the CSD, where layers are not formed. The most abundant RAHB ring types found in the CSD are used as model systems for quantum chemical calculations of interaction energies. Malonaldehyde (H4C3O2), its mononitrigen analogue (H5C3NO) and dinitrogen analogue (H4C2N2O) are used as model systems for RAHB rings, while benzene molecule is used as a model system for a C6-aromatic fragment. RAHB/RAHB interactions can be quite strong (up to -4.7 kcal/mol in case of H5C3NO/H5C3NO dimer). RAHB/benzene interactions are generally weaker (up to -3.5 kcal/mol in case of H4C3O2/benzene dimer), but they can be also stronger than the corresponding RAHB/RAHB interactions, depending on the system. Both RAHB/RAHB and RAHB/benzene interactions are stronger than benzene/benzene stacking interactions (-2.7 kcal/mol). Stacking interactions can remain strong in some systems even when placed to large horizontal displacements. For example, benzene/benzene stacking preserves 70% of its maximum strength upon shifting to the displacement of 5.0 Å. Stacking interactions of RAHB rings can, in some cases, preserve similar portion of their strength (around 70%) at large displacements.
C3  - VIII International Congress “Engineering, Environment and Materials in Process Industry“
T1  - Resonance-Assisted Hydrogen-Bridged Rings: Parallel Alignment in Crystal Structures and Significant Noncovalent Attraction
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6404
ER  - 

@conference{
author = "Blagojević Filipović, Jelena P. and Zarić, Snežana D.",
year = "2023",
abstract = "Resonance-assisted hydrogen-bridged rings (RAHB) are promising structures in material design due to synergistic effects between hydrogen bonding and resonance. We investigated mutual contacts between RAHB ring structures deposited in the Cambridge Structural Database (CSD), as well as contacts between RAHB rings and C6-aromatic fragments. Stacking interactions in crystal structures are identified by parallel alignment of interacting fragments and a characteristic distance between the planes of the interacting fragments, which is between 3.0 and 4.0 Å. The existence of stacking interactions is then confirmed by quantum chemical calculations of interaction energies at dimer model systems. Namely, more than 90% of mutual RAHB/RAHB contacts found in the CSD are parallel and anti oriented. A smaller part of RAHB/C6-aromatic contacts (around 60%) is in parallel orientation. Both RAHB/RAHB and RAHB/C6-aromatic contacts typically form parallel layers at a specific distance (between 3.0 and 4.0 Å), which distinguishes them from benzene/benzene parallel contacts found in the CSD, where layers are not formed. The most abundant RAHB ring types found in the CSD are used as model systems for quantum chemical calculations of interaction energies. Malonaldehyde (H4C3O2), its mononitrigen analogue (H5C3NO) and dinitrogen analogue (H4C2N2O) are used as model systems for RAHB rings, while benzene molecule is used as a model system for a C6-aromatic fragment. RAHB/RAHB interactions can be quite strong (up to -4.7 kcal/mol in case of H5C3NO/H5C3NO dimer). RAHB/benzene interactions are generally weaker (up to -3.5 kcal/mol in case of H4C3O2/benzene dimer), but they can be also stronger than the corresponding RAHB/RAHB interactions, depending on the system. Both RAHB/RAHB and RAHB/benzene interactions are stronger than benzene/benzene stacking interactions (-2.7 kcal/mol). Stacking interactions can remain strong in some systems even when placed to large horizontal displacements. For example, benzene/benzene stacking preserves 70% of its maximum strength upon shifting to the displacement of 5.0 Å. Stacking interactions of RAHB rings can, in some cases, preserve similar portion of their strength (around 70%) at large displacements.",
journal = "VIII International Congress “Engineering, Environment and Materials in Process Industry“",
title = "Resonance-Assisted Hydrogen-Bridged Rings: Parallel Alignment in Crystal Structures and Significant Noncovalent Attraction",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6404"
}

Blagojević Filipović, J. P.,& Zarić, S. D.. (2023). Resonance-Assisted Hydrogen-Bridged Rings: Parallel Alignment in Crystal Structures and Significant Noncovalent Attraction. in VIII International Congress “Engineering, Environment and Materials in Process Industry“.
https://hdl.handle.net/21.15107/rcub_cherry_6404

Blagojević Filipović JP, Zarić SD. Resonance-Assisted Hydrogen-Bridged Rings: Parallel Alignment in Crystal Structures and Significant Noncovalent Attraction. in VIII International Congress “Engineering, Environment and Materials in Process Industry“. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6404 .

Blagojević Filipović, Jelena P., Zarić, Snežana D., "Resonance-Assisted Hydrogen-Bridged Rings: Parallel Alignment in Crystal Structures and Significant Noncovalent Attraction" in VIII International Congress “Engineering, Environment and Materials in Process Industry“ (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6404 .

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?
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6342
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?",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6342"
}

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.
https://hdl.handle.net/21.15107/rcub_cherry_6342

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;.
https://hdl.handle.net/21.15107/rcub_cherry_6342 .

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),
https://hdl.handle.net/21.15107/rcub_cherry_6342 .

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
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6346
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",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6346"
}

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.
https://hdl.handle.net/21.15107/rcub_cherry_6346

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.
https://hdl.handle.net/21.15107/rcub_cherry_6346 .

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,
https://hdl.handle.net/21.15107/rcub_cherry_6346 .

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, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023
T1  - Differences and Similarities in Benzene/Benzene and Water/Water Interactions
SP  - 56
EP  - 56
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6350
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, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023",
title = "Differences and Similarities in Benzene/Benzene and Water/Water Interactions",
pages = "56-56",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6350"
}

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, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023, 56-56.
https://hdl.handle.net/21.15107/rcub_cherry_6350

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, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023. 2023;:56-56.
https://hdl.handle.net/21.15107/rcub_cherry_6350 .

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, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023 (2023):56-56,
https://hdl.handle.net/21.15107/rcub_cherry_6350 .

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
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6371
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",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6371"
}

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..
https://hdl.handle.net/21.15107/rcub_cherry_6371

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;.
https://hdl.handle.net/21.15107/rcub_cherry_6371 .

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),
https://hdl.handle.net/21.15107/rcub_cherry_6371 .

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
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6372
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",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6372"
}

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.
https://hdl.handle.net/21.15107/rcub_cherry_6372

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;.
https://hdl.handle.net/21.15107/rcub_cherry_6372 .

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),
https://hdl.handle.net/21.15107/rcub_cherry_6372 .

TY  - CONF
AU  - Sibinčić, Nikolina
AU  - Krstić-Ristivojević, Maja
AU  - Stojanović, Marijana
AU  - Mladenović Stokanić, Maja
AU  - Vasović, Tamara
AU  - Ćirković-Veličković, Tanja
AU  - Stojadinović, Marija
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6051
AB  - The SARS-CoV-2 nucleocapsid (N) protein plays a significant role in the coronavirus life cycle and participates in a variety of critical events following viral invasion1. In infected patients, high titers of immunoglobulin G (IgG) targeting N protein were detected and correlated with the clinical course of the disease2. Therefore, N protein and anti-N protein IgGs were recognized as important diagnostic indicators of COVID-19 infection in serological and quick antigen tests3. In this study, we optimized the expression of the recombinant form of SARS-CoV-2 N protein in a mammalian cell line HEK293T by comparing the transfection efficiency between Polyethylenimine (PEI) and Calcium Phosphate (CaP) DNA-complexing agents. Transfection potency was tested at different cell confluency and passage number, in several cell culture media, pre-transfection and post-transfection media change and in conditions of reduced serum. Chloroquine and glycerol treatments were included to enhance transfection efficiency as they might inhibit DNA degradation in lysosomes or increase membrane permeability. Protein expression was monitored in cell supernatants up to 7 days post-transfection in dot-bot and Western blot using anti-N protein antibodies. Both transfection methods have shown moderate to relatively high transfection efficiency dependent on the applied conditions, making them affordable and easy to use techniques for recombinant N protein production on a small-scale in adherent mammalian systems. PEI acts as a good delivery system regardless of the presence of the fetal bovine serum (FBS), while CaP transfection is more dependent on the presence of FBS which in turn favors N protein degradation. However, we have optimized both methods to achieve optimal expression of unfragmented N-protein in serum-free conditions. Apart from setting up a cost-effective platform for expression of N protein in mammalian cells, we plan on investigating the mechanisms behind the PEI and CaP non-viral gene delivery systems as there are still some uncertainties in the scientific community.
PB  - Beograde : Serbian Biochemical Society
C3  - "Biochemistry in Biotechnology", Twelfth Conference, International scientific meeting, September 21-23, 2023, Belgrade, Serbia
T1  - Expression of recombinant SARS-CoV-2 nucleocapsid protein in mammalian cells
SP  - 91
EP  - 91
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6051
ER  - 

@conference{
author = "Sibinčić, Nikolina and Krstić-Ristivojević, Maja and Stojanović, Marijana and Mladenović Stokanić, Maja and Vasović, Tamara and Ćirković-Veličković, Tanja and Stojadinović, Marija",
year = "2023",
abstract = "The SARS-CoV-2 nucleocapsid (N) protein plays a significant role in the coronavirus life cycle and participates in a variety of critical events following viral invasion1. In infected patients, high titers of immunoglobulin G (IgG) targeting N protein were detected and correlated with the clinical course of the disease2. Therefore, N protein and anti-N protein IgGs were recognized as important diagnostic indicators of COVID-19 infection in serological and quick antigen tests3. In this study, we optimized the expression of the recombinant form of SARS-CoV-2 N protein in a mammalian cell line HEK293T by comparing the transfection efficiency between Polyethylenimine (PEI) and Calcium Phosphate (CaP) DNA-complexing agents. Transfection potency was tested at different cell confluency and passage number, in several cell culture media, pre-transfection and post-transfection media change and in conditions of reduced serum. Chloroquine and glycerol treatments were included to enhance transfection efficiency as they might inhibit DNA degradation in lysosomes or increase membrane permeability. Protein expression was monitored in cell supernatants up to 7 days post-transfection in dot-bot and Western blot using anti-N protein antibodies. Both transfection methods have shown moderate to relatively high transfection efficiency dependent on the applied conditions, making them affordable and easy to use techniques for recombinant N protein production on a small-scale in adherent mammalian systems. PEI acts as a good delivery system regardless of the presence of the fetal bovine serum (FBS), while CaP transfection is more dependent on the presence of FBS which in turn favors N protein degradation. However, we have optimized both methods to achieve optimal expression of unfragmented N-protein in serum-free conditions. Apart from setting up a cost-effective platform for expression of N protein in mammalian cells, we plan on investigating the mechanisms behind the PEI and CaP non-viral gene delivery systems as there are still some uncertainties in the scientific community.",
publisher = "Beograde : Serbian Biochemical Society",
journal = ""Biochemistry in Biotechnology", Twelfth Conference, International scientific meeting, September 21-23, 2023, Belgrade, Serbia",
title = "Expression of recombinant SARS-CoV-2 nucleocapsid protein in mammalian cells",
pages = "91-91",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6051"
}

Sibinčić, N., Krstić-Ristivojević, M., Stojanović, M., Mladenović Stokanić, M., Vasović, T., Ćirković-Veličković, T.,& Stojadinović, M.. (2023). Expression of recombinant SARS-CoV-2 nucleocapsid protein in mammalian cells. in "Biochemistry in Biotechnology", Twelfth Conference, International scientific meeting, September 21-23, 2023, Belgrade, Serbia
Beograde : Serbian Biochemical Society., 91-91.
https://hdl.handle.net/21.15107/rcub_cherry_6051

Sibinčić N, Krstić-Ristivojević M, Stojanović M, Mladenović Stokanić M, Vasović T, Ćirković-Veličković T, Stojadinović M. Expression of recombinant SARS-CoV-2 nucleocapsid protein in mammalian cells. in "Biochemistry in Biotechnology", Twelfth Conference, International scientific meeting, September 21-23, 2023, Belgrade, Serbia. 2023;:91-91.
https://hdl.handle.net/21.15107/rcub_cherry_6051 .

Sibinčić, Nikolina, Krstić-Ristivojević, Maja, Stojanović, Marijana, Mladenović Stokanić, Maja, Vasović, Tamara, Ćirković-Veličković, Tanja, Stojadinović, Marija, "Expression of recombinant SARS-CoV-2 nucleocapsid protein in mammalian cells" in "Biochemistry in Biotechnology", Twelfth Conference, International scientific meeting, September 21-23, 2023, Belgrade, Serbia (2023):91-91,
https://hdl.handle.net/21.15107/rcub_cherry_6051 .

TY  - CONF
AU  - Petrović, Tamara
AU  - Gligorijević, Nevenka
AU  - Ferdinand, Belaj
AU  - Poljarević, Jelena
AU  - Mihajlović-Lalić, Ljiljana
AU  - Aranđelović, Sandra
AU  - Nikolić, Stefan
AU  - Grgurić-Šipka, Sanja
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5957
AB  - Rhenium complexes merit particular attention in the area of metallodrug design due to
rhenium’s broad spectrum of oxidation states and consequently, the possibility to design
compounds of great structural diversity [1,2]. Thus, the synthesis, chemical characterization,
and antitumor activity in vitro of the six Re(V) complexes are described. Novel compounds
were obtained via reaction of [ReOCl3(PPh3)2] with corresponding ligands (pyridine-2-
carboxylic acid, 3-methylpyridine-2-carboxylic acid, 6-methylpyridine-2-carboxylic acid, 2,3-
pyridinedicarboxylic acid, 2,5-pyridinedicarboxylic acid, and 2,6-pyridinedicarboxylic acid) in
acetonitrile or dichloromethane/methanol at 78 °C for 3h. The complexes were fully
characterized using NMR, IR, MS, and elemental analysis. Results of X-ray diffraction analysis
for three of these compounds confirmed the proposed octahedral geometry with bidentate
coordinated ligands, via both oxygen and nitrogen atoms. The antiproliferative effect was
determined by MTT assay. All complexes expressed moderate to low cytotoxic potential.
Complex with pyridine-2-carboxylic acid showed dose-dependent cytotoxic potential,
particularly toward triple-negative breast adenocarcinoma cells MDA-MB-231 and pancreatic
adenocarcinoma cells PANC-1. Drug combination studies in PANC-1 cells with that complex
and Verapamil hydrochloride (VRP) showed a slight arrest of the cell cycle in the S phase and
also increase its antiproliferative potential.
C3  - 16th International Symposium on Applied Bioinorganic Chemistry (16-ISABC), Ioannina, Greece, June 11-14, 2023
T1  - Oxorhenium(V) complexes with N,O ligands – synthesis and biological studies
SP  - 241
EP  - 241
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5957
ER  - 

@conference{
author = "Petrović, Tamara and Gligorijević, Nevenka and Ferdinand, Belaj and Poljarević, Jelena and Mihajlović-Lalić, Ljiljana and Aranđelović, Sandra and Nikolić, Stefan and Grgurić-Šipka, Sanja",
year = "2023",
abstract = "Rhenium complexes merit particular attention in the area of metallodrug design due to
rhenium’s broad spectrum of oxidation states and consequently, the possibility to design
compounds of great structural diversity [1,2]. Thus, the synthesis, chemical characterization,
and antitumor activity in vitro of the six Re(V) complexes are described. Novel compounds
were obtained via reaction of [ReOCl3(PPh3)2] with corresponding ligands (pyridine-2-
carboxylic acid, 3-methylpyridine-2-carboxylic acid, 6-methylpyridine-2-carboxylic acid, 2,3-
pyridinedicarboxylic acid, 2,5-pyridinedicarboxylic acid, and 2,6-pyridinedicarboxylic acid) in
acetonitrile or dichloromethane/methanol at 78 °C for 3h. The complexes were fully
characterized using NMR, IR, MS, and elemental analysis. Results of X-ray diffraction analysis
for three of these compounds confirmed the proposed octahedral geometry with bidentate
coordinated ligands, via both oxygen and nitrogen atoms. The antiproliferative effect was
determined by MTT assay. All complexes expressed moderate to low cytotoxic potential.
Complex with pyridine-2-carboxylic acid showed dose-dependent cytotoxic potential,
particularly toward triple-negative breast adenocarcinoma cells MDA-MB-231 and pancreatic
adenocarcinoma cells PANC-1. Drug combination studies in PANC-1 cells with that complex
and Verapamil hydrochloride (VRP) showed a slight arrest of the cell cycle in the S phase and
also increase its antiproliferative potential.",
journal = "16th International Symposium on Applied Bioinorganic Chemistry (16-ISABC), Ioannina, Greece, June 11-14, 2023",
title = "Oxorhenium(V) complexes with N,O ligands – synthesis and biological studies",
pages = "241-241",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5957"
}

Petrović, T., Gligorijević, N., Ferdinand, B., Poljarević, J., Mihajlović-Lalić, L., Aranđelović, S., Nikolić, S.,& Grgurić-Šipka, S.. (2023). Oxorhenium(V) complexes with N,O ligands – synthesis and biological studies. in 16th International Symposium on Applied Bioinorganic Chemistry (16-ISABC), Ioannina, Greece, June 11-14, 2023, 241-241.
https://hdl.handle.net/21.15107/rcub_cherry_5957

Petrović T, Gligorijević N, Ferdinand B, Poljarević J, Mihajlović-Lalić L, Aranđelović S, Nikolić S, Grgurić-Šipka S. Oxorhenium(V) complexes with N,O ligands – synthesis and biological studies. in 16th International Symposium on Applied Bioinorganic Chemistry (16-ISABC), Ioannina, Greece, June 11-14, 2023. 2023;:241-241.
https://hdl.handle.net/21.15107/rcub_cherry_5957 .

Petrović, Tamara, Gligorijević, Nevenka, Ferdinand, Belaj, Poljarević, Jelena, Mihajlović-Lalić, Ljiljana, Aranđelović, Sandra, Nikolić, Stefan, Grgurić-Šipka, Sanja, "Oxorhenium(V) complexes with N,O ligands – synthesis and biological studies" in 16th International Symposium on Applied Bioinorganic Chemistry (16-ISABC), Ioannina, Greece, June 11-14, 2023 (2023):241-241,
https://hdl.handle.net/21.15107/rcub_cherry_5957 .

TY  - JOUR
AU  - Zrilić, Sonja S.
AU  - Živković, Jelena M.
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5894
AB  - The hydrogen bonds of free and coordinated amino acids with water molecule were studied by analyzing data in the crystal structures from the Cambridge Structural Database (CSD) and by quantum chemical calculations. The CSD data indicate bifurcated NH/O hydrogen bonds and O1/HO hydrogen bonds of coordinated oxygen. The O/HO hydrogen bonds of free zwitterions and non-coordinated carbonyl oxygen (O2/HO) in metal complexes form primarily linear, non-bifurcated hydrogen bonds. Calculated M06L-GD3/def2-TZVPP interaction energies for free zwitterions (glycine, cysteine, phenylalanine and, serine) and water molecule are in the range from −5.1 to −9.6 kcal/mol for NH/O and from −6.9 to −7.6 kcal/mol for O/HO interactions. Coordinated amino acids in neutral octahedral cobalt(III) complexes have NH/O interaction energies ca. -7.4 kcal/mol, independent of the amino acid. The singly and doubly charged complexes have stronger NH/O interactions; the strongest has energy of −16.9 kcal/mol. In the case of O1/HO hydrogen bond, the interaction energy decreases upon coordination; interactions are quite weak for neutral complexes (−2.2 to −2.6 kcal/mol). For O2/HO hydrogen bonds, all amino acids except serine show slightly stronger interaction in singly negative complexes (−6.3 to −8.0 kcal/mol), while interactions are weaker for neutral complexes (−2.8 to −4.4 kcal/mol), comparing to zwitterions.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Hydrogen bonds of a water molecule in the second coordination sphere of amino acid metal complexes: Influence of amino acid coordination
VL  - 242
SP  - 112151
DO  - 10.1016/j.jinorgbio.2023.112151
ER  - 

@article{
author = "Zrilić, Sonja S. and Živković, Jelena M. and Zarić, Snežana D.",
year = "2023",
abstract = "The hydrogen bonds of free and coordinated amino acids with water molecule were studied by analyzing data in the crystal structures from the Cambridge Structural Database (CSD) and by quantum chemical calculations. The CSD data indicate bifurcated NH/O hydrogen bonds and O1/HO hydrogen bonds of coordinated oxygen. The O/HO hydrogen bonds of free zwitterions and non-coordinated carbonyl oxygen (O2/HO) in metal complexes form primarily linear, non-bifurcated hydrogen bonds. Calculated M06L-GD3/def2-TZVPP interaction energies for free zwitterions (glycine, cysteine, phenylalanine and, serine) and water molecule are in the range from −5.1 to −9.6 kcal/mol for NH/O and from −6.9 to −7.6 kcal/mol for O/HO interactions. Coordinated amino acids in neutral octahedral cobalt(III) complexes have NH/O interaction energies ca. -7.4 kcal/mol, independent of the amino acid. The singly and doubly charged complexes have stronger NH/O interactions; the strongest has energy of −16.9 kcal/mol. In the case of O1/HO hydrogen bond, the interaction energy decreases upon coordination; interactions are quite weak for neutral complexes (−2.2 to −2.6 kcal/mol). For O2/HO hydrogen bonds, all amino acids except serine show slightly stronger interaction in singly negative complexes (−6.3 to −8.0 kcal/mol), while interactions are weaker for neutral complexes (−2.8 to −4.4 kcal/mol), comparing to zwitterions.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Hydrogen bonds of a water molecule in the second coordination sphere of amino acid metal complexes: Influence of amino acid coordination",
volume = "242",
pages = "112151",
doi = "10.1016/j.jinorgbio.2023.112151"
}

Zrilić, S. S., Živković, J. M.,& Zarić, S. D.. (2023). Hydrogen bonds of a water molecule in the second coordination sphere of amino acid metal complexes: Influence of amino acid coordination. in Journal of Inorganic Biochemistry
Elsevier., 242, 112151.
https://doi.org/10.1016/j.jinorgbio.2023.112151

Zrilić SS, Živković JM, Zarić SD. Hydrogen bonds of a water molecule in the second coordination sphere of amino acid metal complexes: Influence of amino acid coordination. in Journal of Inorganic Biochemistry. 2023;242:112151.
doi:10.1016/j.jinorgbio.2023.112151 .

Zrilić, Sonja S., Živković, Jelena M., Zarić, Snežana D., "Hydrogen bonds of a water molecule in the second coordination sphere of amino acid metal complexes: Influence of amino acid coordination" in Journal of Inorganic Biochemistry, 242 (2023):112151,
https://doi.org/10.1016/j.jinorgbio.2023.112151 . .

TY  - JOUR
AU  - Milutinović, Milica
AU  - Nakarada, Đura
AU  - Božunović, Jelena
AU  - Todorović, Miloš
AU  - Gašić, Uroš M.
AU  - Živković, Suzana
AU  - Skorić, Marijana
AU  - Ivković, Đurđa
AU  - Savić, Jelena
AU  - Devrnja, Nina
AU  - Aničić, Neda
AU  - Banjanac, Tijana
AU  - Mojović, Miloš
AU  - Mišić, Danijela
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5896
AB  - The present study provides, for the first time, a physicochemical and biochemical characterization of the redox processes associated with the ripening of Solanum dulcamara L. (bittersweet) berries. Electron Paramagnetic Resonance Spectroscopy (EPRS) and Imaging (EPRI) measurements of reactive oxygen species (ROS) were performed in parallel with the tissue-specific metabolic profiling of major antioxidants and assessment of antioxidant enzymes activity. Fruit transition from the mature green (MG) to ripe red (RR) stage involved changes in the qualitative and quantitative content of antioxidants and the associated cellular oxidation and peroxidation processes. The skin of bittersweet berries, which was the major source of antioxidants, exhibited the highest antioxidant potential against DPPH radicals and nitroxyl spin probe 3CP. The efficient enzymatic antioxidant system played a critical protective role against the deleterious effects of progressive oxidative stress during ripening. Here, we present the EPRI methodology to assess the redox status of fruits and to discriminate between the redox states of different tissues. Interestingly, the intracellular reoxidation of cell-permeable nitroxide probe 3CP was observed for the first time in fruits or any other plant tissue, and its intensity is herein proposed as a reliable indicator of oxidative stress during ripening. The described noninvasive EPRI technique has the potential to have broader application in the study of redox processes associated with the development, senescence, and postharvest storage of fruits, as well as other circumstances in which oxidative stress is implicated.
PB  - MDPI
T2  - Antioxidants
T2  - Antioxidants
T1  - Solanum dulcamara L. Berries: A Convenient Model System to Study Redox Processes in Relation to Fruit Ripening
VL  - 12
IS  - 2
SP  - 346
DO  - 10.3390/antiox12020346
ER  - 

@article{
author = "Milutinović, Milica and Nakarada, Đura and Božunović, Jelena and Todorović, Miloš and Gašić, Uroš M. and Živković, Suzana and Skorić, Marijana and Ivković, Đurđa and Savić, Jelena and Devrnja, Nina and Aničić, Neda and Banjanac, Tijana and Mojović, Miloš and Mišić, Danijela",
year = "2023",
abstract = "The present study provides, for the first time, a physicochemical and biochemical characterization of the redox processes associated with the ripening of Solanum dulcamara L. (bittersweet) berries. Electron Paramagnetic Resonance Spectroscopy (EPRS) and Imaging (EPRI) measurements of reactive oxygen species (ROS) were performed in parallel with the tissue-specific metabolic profiling of major antioxidants and assessment of antioxidant enzymes activity. Fruit transition from the mature green (MG) to ripe red (RR) stage involved changes in the qualitative and quantitative content of antioxidants and the associated cellular oxidation and peroxidation processes. The skin of bittersweet berries, which was the major source of antioxidants, exhibited the highest antioxidant potential against DPPH radicals and nitroxyl spin probe 3CP. The efficient enzymatic antioxidant system played a critical protective role against the deleterious effects of progressive oxidative stress during ripening. Here, we present the EPRI methodology to assess the redox status of fruits and to discriminate between the redox states of different tissues. Interestingly, the intracellular reoxidation of cell-permeable nitroxide probe 3CP was observed for the first time in fruits or any other plant tissue, and its intensity is herein proposed as a reliable indicator of oxidative stress during ripening. The described noninvasive EPRI technique has the potential to have broader application in the study of redox processes associated with the development, senescence, and postharvest storage of fruits, as well as other circumstances in which oxidative stress is implicated.",
publisher = "MDPI",
journal = "Antioxidants, Antioxidants",
title = "Solanum dulcamara L. Berries: A Convenient Model System to Study Redox Processes in Relation to Fruit Ripening",
volume = "12",
number = "2",
pages = "346",
doi = "10.3390/antiox12020346"
}

Milutinović, M., Nakarada, Đ., Božunović, J., Todorović, M., Gašić, U. M., Živković, S., Skorić, M., Ivković, Đ., Savić, J., Devrnja, N., Aničić, N., Banjanac, T., Mojović, M.,& Mišić, D.. (2023). Solanum dulcamara L. Berries: A Convenient Model System to Study Redox Processes in Relation to Fruit Ripening. in Antioxidants
MDPI., 12(2), 346.
https://doi.org/10.3390/antiox12020346

Milutinović M, Nakarada Đ, Božunović J, Todorović M, Gašić UM, Živković S, Skorić M, Ivković Đ, Savić J, Devrnja N, Aničić N, Banjanac T, Mojović M, Mišić D. Solanum dulcamara L. Berries: A Convenient Model System to Study Redox Processes in Relation to Fruit Ripening. in Antioxidants. 2023;12(2):346.
doi:10.3390/antiox12020346 .

Milutinović, Milica, Nakarada, Đura, Božunović, Jelena, Todorović, Miloš, Gašić, Uroš M., Živković, Suzana, Skorić, Marijana, Ivković, Đurđa, Savić, Jelena, Devrnja, Nina, Aničić, Neda, Banjanac, Tijana, Mojović, Miloš, Mišić, Danijela, "Solanum dulcamara L. Berries: A Convenient Model System to Study Redox Processes in Relation to Fruit Ripening" in Antioxidants, 12, no. 2 (2023):346,
https://doi.org/10.3390/antiox12020346 . .

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

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

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

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

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

TY  - CONF
AU  - Cvijetić, Ilija
AU  - Ivković, Đurđa
AU  - Todorović, Petar
AU  - Andrić, Filip
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6222
AB  - DES are mixtures of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that, when combined in a specific molar ratio, exhibit a significant decrease in melting point and become liquid at room temperature. DES can be tailored to meet different physicochemical requirements by altering the HBA:HBD ratio or the nature of the compounds. In this study, we utilized the COSMO-RS method to predict the activity coefficients of 12 phenolic compounds in 105 NaDES. These NaDES contained equimolar mixtures of betaine, carnitine, creatine, and ornithine as HBAs and various sugars and amino acids as HBDs. The NaDES were compared to methanol, and several mixtures exhibited higher affinities to all phenolics. The most promising NaDES were betaine-glycerol, betaine-xylitol, and carnitine-urea. We are currently conducting experimental validation of the extraction efficiency of these cosmetically acceptable solvents. In summary, we have identified promising NaDES mixtures that could replace conventional solvents and contribute to the development of sustainable, bio-based extracts.

Acknowledgment: This research was funded by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No. 389927, and the MNTR, contracts No. 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288.
C3  - 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia
T1  - Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients
IS  - 66
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6222
ER  - 

@conference{
author = "Cvijetić, Ilija and Ivković, Đurđa and Todorović, Petar and Andrić, Filip and Ristivojević, Petar",
year = "2023",
abstract = "DES are mixtures of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that, when combined in a specific molar ratio, exhibit a significant decrease in melting point and become liquid at room temperature. DES can be tailored to meet different physicochemical requirements by altering the HBA:HBD ratio or the nature of the compounds. In this study, we utilized the COSMO-RS method to predict the activity coefficients of 12 phenolic compounds in 105 NaDES. These NaDES contained equimolar mixtures of betaine, carnitine, creatine, and ornithine as HBAs and various sugars and amino acids as HBDs. The NaDES were compared to methanol, and several mixtures exhibited higher affinities to all phenolics. The most promising NaDES were betaine-glycerol, betaine-xylitol, and carnitine-urea. We are currently conducting experimental validation of the extraction efficiency of these cosmetically acceptable solvents. In summary, we have identified promising NaDES mixtures that could replace conventional solvents and contribute to the development of sustainable, bio-based extracts.

Acknowledgment: This research was funded by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No. 389927, and the MNTR, contracts No. 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288.",
journal = "59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia",
title = "Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients",
number = "66",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6222"
}

Cvijetić, I., Ivković, Đ., Todorović, P., Andrić, F.,& Ristivojević, P.. (2023). Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia(66).
https://hdl.handle.net/21.15107/rcub_cherry_6222

Cvijetić I, Ivković Đ, Todorović P, Andrić F, Ristivojević P. Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia. 2023;(66).
https://hdl.handle.net/21.15107/rcub_cherry_6222 .

Cvijetić, Ilija, Ivković, Đurđa, Todorović, Petar, Andrić, Filip, Ristivojević, Petar, "Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients" in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia, no. 66 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6222 .

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

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

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

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

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

TY  - JOUR
AU  - 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 . .