TY  - JOUR
AU  - Lazić, Vesna
AU  - Sredojević, Dušan
AU  - Ćirić, Aleksandar
AU  - Nedeljković, Jovan
AU  - Zelenková, Gabriela
AU  - Férová, Marta
AU  - Zelenka, Tomáš
AU  - Chavhan, Madhav Prabhakar
AU  - Slovák, Václav
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12392
AB  - The surface modification of commercial TiO2 powder with catecholate-type ligand Tiron (TIR) leads to the formation of the interfacial charge transfer complex (ICT) absorbing in the visible spectral range. The estimated band gap energy of the ICT complex (Eg = 2.2 eV) by density functional theory (DFT) calculations agrees with experimental measurements. The surface-modified TiO2 with TIR has enhanced sorption capacity towards Pb2+ ions compared to the pristine one due to the presence of free sulfonate groups. Our attempt to reduce Pb2+ ions to metallic form failed. The TiO2-based ICT complex with TIR can serve as an efficient sorbent to remove Pb2+ ions from the solution without the ability to recover them in metallic form in a photo-driven catalytic process. The photocatalytic ability of the ICT complex to induce oxidation reactions is significantly improved since the complete degradation of organic dye methyl orange occurs under exclusive excitations with visible light photons.
T2  - Journal of Photochemistry and Photobiology A: Chemistry
T1  - The photocatalytic ability of visible-light-responsive interfacial charge transfer complex between TiO2 and Tiron
VL  - 449
SP  - 115394
DO  - 10.1016/j.jphotochem.2023.115394
ER  - 

@article{
author = "Lazić, Vesna and Sredojević, Dušan and Ćirić, Aleksandar and Nedeljković, Jovan and Zelenková, Gabriela and Férová, Marta and Zelenka, Tomáš and Chavhan, Madhav Prabhakar and Slovák, Václav",
year = "2024",
abstract = "The surface modification of commercial TiO2 powder with catecholate-type ligand Tiron (TIR) leads to the formation of the interfacial charge transfer complex (ICT) absorbing in the visible spectral range. The estimated band gap energy of the ICT complex (Eg = 2.2 eV) by density functional theory (DFT) calculations agrees with experimental measurements. The surface-modified TiO2 with TIR has enhanced sorption capacity towards Pb2+ ions compared to the pristine one due to the presence of free sulfonate groups. Our attempt to reduce Pb2+ ions to metallic form failed. The TiO2-based ICT complex with TIR can serve as an efficient sorbent to remove Pb2+ ions from the solution without the ability to recover them in metallic form in a photo-driven catalytic process. The photocatalytic ability of the ICT complex to induce oxidation reactions is significantly improved since the complete degradation of organic dye methyl orange occurs under exclusive excitations with visible light photons.",
journal = "Journal of Photochemistry and Photobiology A: Chemistry",
title = "The photocatalytic ability of visible-light-responsive interfacial charge transfer complex between TiO2 and Tiron",
volume = "449",
pages = "115394",
doi = "10.1016/j.jphotochem.2023.115394"
}

Lazić, V., Sredojević, D., Ćirić, A., Nedeljković, J., Zelenková, G., Férová, M., Zelenka, T., Chavhan, M. P.,& Slovák, V.. (2024). The photocatalytic ability of visible-light-responsive interfacial charge transfer complex between TiO2 and Tiron. in Journal of Photochemistry and Photobiology A: Chemistry, 449, 115394.
https://doi.org/10.1016/j.jphotochem.2023.115394

Lazić V, Sredojević D, Ćirić A, Nedeljković J, Zelenková G, Férová M, Zelenka T, Chavhan MP, Slovák V. The photocatalytic ability of visible-light-responsive interfacial charge transfer complex between TiO2 and Tiron. in Journal of Photochemistry and Photobiology A: Chemistry. 2024;449:115394.
doi:10.1016/j.jphotochem.2023.115394 .

Lazić, Vesna, Sredojević, Dušan, Ćirić, Aleksandar, Nedeljković, Jovan, Zelenková, Gabriela, Férová, Marta, Zelenka, Tomáš, Chavhan, Madhav Prabhakar, Slovák, Václav, "The photocatalytic ability of visible-light-responsive interfacial charge transfer complex between TiO2 and Tiron" in Journal of Photochemistry and Photobiology A: Chemistry, 449 (2024):115394,
https://doi.org/10.1016/j.jphotochem.2023.115394 . .

TY  - JOUR
AU  - Dukić, Miljana
AU  - Sredojević, Dušan
AU  - Férová, Marta
AU  - Slovak, Vaclav
AU  - Lončarević, Davor
AU  - Dostanić, Jasmina
AU  - Šalipur, Hristina
AU  - Lazić, Vesna
AU  - Nedeljković, Jovan
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12989
AB  - The interfacial charge transfer (ICT) complex formation is a simple procedure to bring optical absorption of widebandgap oxide materials in the visible spectral range, crucial for enhancing their use in photo-driven reactions. The optical absorption of the prepared ICT complexes between ZnO and five different colorless benzene derivatives is red-shifted compared to pristine ZnO nanopowder. The density functional theory (DFT) calculations provided realistic energy level alignment in hybrid systems. Also, the DFT-calculated infrared spectra support the binding structures derived based on experimental measurements of free and adsorbed ligands onto ZnO surfaces. The photocatalytic performance of prepared hybrids was evaluated using photocatalytic hydrogen generation in the water-splitting reaction. The ZnO nanopowders modified with catechol and caffeic acid have over 50% higher hydrogen production rate than pristine ZnO, displaying steady hydrogen production under long-run working conditions.
T2  - International Journal of Hydrogen Energy
T1  - Interfacial charge transfer complexes between ZnO and benzene derivatives: Characterization and photocatalytic hydrogen production
VL  - 62
SP  - 628
EP  - 636
DO  - 10.1016/j.ijhydene.2024.03.075
ER  - 

@article{
author = "Dukić, Miljana and Sredojević, Dušan and Férová, Marta and Slovak, Vaclav and Lončarević, Davor and Dostanić, Jasmina and Šalipur, Hristina and Lazić, Vesna and Nedeljković, Jovan",
year = "2024",
abstract = "The interfacial charge transfer (ICT) complex formation is a simple procedure to bring optical absorption of widebandgap oxide materials in the visible spectral range, crucial for enhancing their use in photo-driven reactions. The optical absorption of the prepared ICT complexes between ZnO and five different colorless benzene derivatives is red-shifted compared to pristine ZnO nanopowder. The density functional theory (DFT) calculations provided realistic energy level alignment in hybrid systems. Also, the DFT-calculated infrared spectra support the binding structures derived based on experimental measurements of free and adsorbed ligands onto ZnO surfaces. The photocatalytic performance of prepared hybrids was evaluated using photocatalytic hydrogen generation in the water-splitting reaction. The ZnO nanopowders modified with catechol and caffeic acid have over 50% higher hydrogen production rate than pristine ZnO, displaying steady hydrogen production under long-run working conditions.",
journal = "International Journal of Hydrogen Energy",
title = "Interfacial charge transfer complexes between ZnO and benzene derivatives: Characterization and photocatalytic hydrogen production",
volume = "62",
pages = "628-636",
doi = "10.1016/j.ijhydene.2024.03.075"
}

Dukić, M., Sredojević, D., Férová, M., Slovak, V., Lončarević, D., Dostanić, J., Šalipur, H., Lazić, V.,& Nedeljković, J.. (2024). Interfacial charge transfer complexes between ZnO and benzene derivatives: Characterization and photocatalytic hydrogen production. in International Journal of Hydrogen Energy, 62, 628-636.
https://doi.org/10.1016/j.ijhydene.2024.03.075

Dukić M, Sredojević D, Férová M, Slovak V, Lončarević D, Dostanić J, Šalipur H, Lazić V, Nedeljković J. Interfacial charge transfer complexes between ZnO and benzene derivatives: Characterization and photocatalytic hydrogen production. in International Journal of Hydrogen Energy. 2024;62:628-636.
doi:10.1016/j.ijhydene.2024.03.075 .

Dukić, Miljana, Sredojević, Dušan, Férová, Marta, Slovak, Vaclav, Lončarević, Davor, Dostanić, Jasmina, Šalipur, Hristina, Lazić, Vesna, Nedeljković, Jovan, "Interfacial charge transfer complexes between ZnO and benzene derivatives: Characterization and photocatalytic hydrogen production" in International Journal of Hydrogen Energy, 62 (2024):628-636,
https://doi.org/10.1016/j.ijhydene.2024.03.075 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Vukoje, Ivana
AU  - Trpkov, Đorđe
AU  - Brothers, Edward N.
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12995
AB  - In addition to providing a sustainable route to green alternative energy and chemical supplies from a cheap and abundant carbon source, recycling CO2 offers an excellent way to reduce net anthropogenic global CO2 emissions. This can be achieved via catalysis on 2D materials. These materials are atomically thin and have unique electrical and catalytic properties compared to bigger nanoparticles and conventional bulk catalysts, opening a new arena in catalysis. This paper examines the efficacy of hexagonal boron nitride (h-BN) lattices with vacancy defects for CO2 electroreduction (CO2RR). We conducted in-depth investigations on different CO2RR electrocatalytic reaction pathways on various h-BN vacancy sites using a computational hydrogen model (CHE). It was shown that CO binds to h-BN vacancies sufficiently to ensure additional electron transfer processes, leading to higher-order reduction products. For mono-atomic defects VN (removed nitrogen), the electrochemical path of (H+ + e−) pair transfers that would lead to the formation of methanol is most favorable with a limiting potential of 1.21 V. In contrast, the reaction pathways via VB (removed boron) imposes much higher thermodynamic barriers for the formation of all relevant species. With a divacancy VBN, the hydrogen evolution reaction (HER) would be the most probable process due to the low rate-determining barrier of 0.69 eV. On the tetravacancy defects VB3N the pathways toward the formation of both CH4 and CH3OH impose a limiting potential of 0.85 V. At the same time, the HER is suppressed by requiring much higher energy (2.15 eV). Modeling the edges of h-BN reveals that N-terminated zigzag conformation would impose the same limiting potential for the formation of methanol and methane (1.73 V), simultaneously suppressing the HER (3.47 V). At variance, the armchair conformation favors the HER, with a rate-determining barrier of 1.70 eV. Hence, according to our calculations, VB3N and VN are the most appropriate vacancy defects for catalyzing CO2 electroreduction reactions.
T2  - Physical Chemistry Chemical Physics
T1  - A DFT study of CO2 electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects
VL  - 26
IS  - 10
SP  - 8356
EP  - 8365
DO  - 10.1039/D3CP06186H
ER  - 

@article{
author = "Sredojević, Dušan and Vukoje, Ivana and Trpkov, Đorđe and Brothers, Edward N.",
year = "2024",
abstract = "In addition to providing a sustainable route to green alternative energy and chemical supplies from a cheap and abundant carbon source, recycling CO2 offers an excellent way to reduce net anthropogenic global CO2 emissions. This can be achieved via catalysis on 2D materials. These materials are atomically thin and have unique electrical and catalytic properties compared to bigger nanoparticles and conventional bulk catalysts, opening a new arena in catalysis. This paper examines the efficacy of hexagonal boron nitride (h-BN) lattices with vacancy defects for CO2 electroreduction (CO2RR). We conducted in-depth investigations on different CO2RR electrocatalytic reaction pathways on various h-BN vacancy sites using a computational hydrogen model (CHE). It was shown that CO binds to h-BN vacancies sufficiently to ensure additional electron transfer processes, leading to higher-order reduction products. For mono-atomic defects VN (removed nitrogen), the electrochemical path of (H+ + e−) pair transfers that would lead to the formation of methanol is most favorable with a limiting potential of 1.21 V. In contrast, the reaction pathways via VB (removed boron) imposes much higher thermodynamic barriers for the formation of all relevant species. With a divacancy VBN, the hydrogen evolution reaction (HER) would be the most probable process due to the low rate-determining barrier of 0.69 eV. On the tetravacancy defects VB3N the pathways toward the formation of both CH4 and CH3OH impose a limiting potential of 0.85 V. At the same time, the HER is suppressed by requiring much higher energy (2.15 eV). Modeling the edges of h-BN reveals that N-terminated zigzag conformation would impose the same limiting potential for the formation of methanol and methane (1.73 V), simultaneously suppressing the HER (3.47 V). At variance, the armchair conformation favors the HER, with a rate-determining barrier of 1.70 eV. Hence, according to our calculations, VB3N and VN are the most appropriate vacancy defects for catalyzing CO2 electroreduction reactions.",
journal = "Physical Chemistry Chemical Physics",
title = "A DFT study of CO2 electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects",
volume = "26",
number = "10",
pages = "8356-8365",
doi = "10.1039/D3CP06186H"
}

Sredojević, D., Vukoje, I., Trpkov, Đ.,& Brothers, E. N.. (2024). A DFT study of CO2 electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects. in Physical Chemistry Chemical Physics, 26(10), 8356-8365.
https://doi.org/10.1039/D3CP06186H

Sredojević D, Vukoje I, Trpkov Đ, Brothers EN. A DFT study of CO2 electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects. in Physical Chemistry Chemical Physics. 2024;26(10):8356-8365.
doi:10.1039/D3CP06186H .

Sredojević, Dušan, Vukoje, Ivana, Trpkov, Đorđe, Brothers, Edward N., "A DFT study of CO2 electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects" in Physical Chemistry Chemical Physics, 26, no. 10 (2024):8356-8365,
https://doi.org/10.1039/D3CP06186H . .

TY  - JOUR
AU  - Barron, John
AU  - Attar, Salahuddin
AU  - Ghobadi, Arash
AU  - Gangopadhyay, Shubhra
AU  - Sredojević, Dušan
AU  - Al-Hashimi, Mohammed
AU  - Guha, Suchismita
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12951
AB  - Regioregularity in conjugated polymers plays a significant role in enhancing the semiconducting properties and narrowing the optical band gap. Two donor–acceptor copolymers, specifically quinoxaline-thienylenevinylene (P1) and regioregular pyridyl pyrazine-thienylenevinylene (P2), were synthesized and characterized. Their potential applications in organic field-effect transistors (FETs) and complementary inverter circuits were explored. P2 exhibits a narrower absorption spectrum with distinct vibronic peaks compared to P1. In both top-gate and bottom-gate FET architectures, the copolymers display p-type behavior, with P2 demonstrating approximately an order of magnitude higher carrier mobility (∼10–3 cm2/(V s)) than P1. The performance of the FETs is further improved by the surface treatment of the source–drain contacts, which is particularly noticeable in P1. These p-type FETs, incorporating P1 and P2, were employed in complementary voltage inverter circuits along with thiazole-selenophene-linked fluorinated isoindigo (IID-TzSe) n-type organic FETs. The P1–IID-TzSe inverter, characterized by balanced p- and n-channels with similar threshold voltages, shows a gain >20 at a supply voltage of 50 V. Similar gains are also observed in the P2–IID-TzSe inverter circuits.
T2  - ACS Applied Electronic Materials
T1  - Molecularly Engineered Quinoxaline-Pyridyl Pyrazine Polymers for Field-Effect Transistors and Complementary Circuits
VL  - 6
IS  - 2
SP  - 1464
EP  - 1474
DO  - 10.1021/acsaelm.3c01790
ER  - 

@article{
author = "Barron, John and Attar, Salahuddin and Ghobadi, Arash and Gangopadhyay, Shubhra and Sredojević, Dušan and Al-Hashimi, Mohammed and Guha, Suchismita",
year = "2024",
abstract = "Regioregularity in conjugated polymers plays a significant role in enhancing the semiconducting properties and narrowing the optical band gap. Two donor–acceptor copolymers, specifically quinoxaline-thienylenevinylene (P1) and regioregular pyridyl pyrazine-thienylenevinylene (P2), were synthesized and characterized. Their potential applications in organic field-effect transistors (FETs) and complementary inverter circuits were explored. P2 exhibits a narrower absorption spectrum with distinct vibronic peaks compared to P1. In both top-gate and bottom-gate FET architectures, the copolymers display p-type behavior, with P2 demonstrating approximately an order of magnitude higher carrier mobility (∼10–3 cm2/(V s)) than P1. The performance of the FETs is further improved by the surface treatment of the source–drain contacts, which is particularly noticeable in P1. These p-type FETs, incorporating P1 and P2, were employed in complementary voltage inverter circuits along with thiazole-selenophene-linked fluorinated isoindigo (IID-TzSe) n-type organic FETs. The P1–IID-TzSe inverter, characterized by balanced p- and n-channels with similar threshold voltages, shows a gain >20 at a supply voltage of 50 V. Similar gains are also observed in the P2–IID-TzSe inverter circuits.",
journal = "ACS Applied Electronic Materials",
title = "Molecularly Engineered Quinoxaline-Pyridyl Pyrazine Polymers for Field-Effect Transistors and Complementary Circuits",
volume = "6",
number = "2",
pages = "1464-1474",
doi = "10.1021/acsaelm.3c01790"
}

Barron, J., Attar, S., Ghobadi, A., Gangopadhyay, S., Sredojević, D., Al-Hashimi, M.,& Guha, S.. (2024). Molecularly Engineered Quinoxaline-Pyridyl Pyrazine Polymers for Field-Effect Transistors and Complementary Circuits. in ACS Applied Electronic Materials, 6(2), 1464-1474.
https://doi.org/10.1021/acsaelm.3c01790

Barron J, Attar S, Ghobadi A, Gangopadhyay S, Sredojević D, Al-Hashimi M, Guha S. Molecularly Engineered Quinoxaline-Pyridyl Pyrazine Polymers for Field-Effect Transistors and Complementary Circuits. in ACS Applied Electronic Materials. 2024;6(2):1464-1474.
doi:10.1021/acsaelm.3c01790 .

Barron, John, Attar, Salahuddin, Ghobadi, Arash, Gangopadhyay, Shubhra, Sredojević, Dušan, Al-Hashimi, Mohammed, Guha, Suchismita, "Molecularly Engineered Quinoxaline-Pyridyl Pyrazine Polymers for Field-Effect Transistors and Complementary Circuits" in ACS Applied Electronic Materials, 6, no. 2 (2024):1464-1474,
https://doi.org/10.1021/acsaelm.3c01790 . .

TY  - JOUR
AU  - Shahriari-Khalaji, Mina
AU  - Zabihi, Fatemeh
AU  - Bahi, Addie
AU  - Sredojević, Dušan
AU  - Nedeljković, Jovan
AU  - Macharia, Daniel K.
AU  - Ciprian, Matteo
AU  - Yang, Shengyuan
AU  - Ko, Frank
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10872
AB  - Visible-light-responsive graphite-embedded titanium dioxide nanofibers (G-TiO2 NFs), prepared by electrospinning and post-treatment with rhodizonic acid (RhA), show biocidal effects against E. coli and S. aureus when excited with visible light. The red absorption shift of surface-modified G-TiO2 NFs with RhA of about 1.1 eV is a consequence of interfacial charge transfer (ICT) complex formation facilitated by a condensation reaction between hydroxyl groups originating from the ligand and surface TiO2. The optical properties of the inorganic–organic hybrid are studied in-depth by density functional theory (DFT) calculations using a cluster model. The prepared samples are thoroughly characterized using X-ray diffraction (XRD) analysis, electron paramagnetic resonance spectroscopy (EPR), Fourier-transform infra-red (FTIR) spectroscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). Under visible light illumination, surface-modified G-TiO2 NFs display a near-to ideal biocidal effect against E. coli and S. aureus and no cytotoxicity was observed toward L929 fibroblast cells. Overall, the experimental results suggest that fabrics based on surface-modified G-TiO2 NFs with RhA can be potentially used to control the persistence and spread of bacterial infection.
T2  - Journal of Materials Chemistry C
T1  - Photon-driven bactericidal performance of surface-modified TiO2 nanofibers
DO  - 10.1039/D3TC00473B
ER  - 

@article{
author = "Shahriari-Khalaji, Mina and Zabihi, Fatemeh and Bahi, Addie and Sredojević, Dušan and Nedeljković, Jovan and Macharia, Daniel K. and Ciprian, Matteo and Yang, Shengyuan and Ko, Frank",
year = "2023",
abstract = "Visible-light-responsive graphite-embedded titanium dioxide nanofibers (G-TiO2 NFs), prepared by electrospinning and post-treatment with rhodizonic acid (RhA), show biocidal effects against E. coli and S. aureus when excited with visible light. The red absorption shift of surface-modified G-TiO2 NFs with RhA of about 1.1 eV is a consequence of interfacial charge transfer (ICT) complex formation facilitated by a condensation reaction between hydroxyl groups originating from the ligand and surface TiO2. The optical properties of the inorganic–organic hybrid are studied in-depth by density functional theory (DFT) calculations using a cluster model. The prepared samples are thoroughly characterized using X-ray diffraction (XRD) analysis, electron paramagnetic resonance spectroscopy (EPR), Fourier-transform infra-red (FTIR) spectroscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). Under visible light illumination, surface-modified G-TiO2 NFs display a near-to ideal biocidal effect against E. coli and S. aureus and no cytotoxicity was observed toward L929 fibroblast cells. Overall, the experimental results suggest that fabrics based on surface-modified G-TiO2 NFs with RhA can be potentially used to control the persistence and spread of bacterial infection.",
journal = "Journal of Materials Chemistry C",
title = "Photon-driven bactericidal performance of surface-modified TiO2 nanofibers",
doi = "10.1039/D3TC00473B"
}

Shahriari-Khalaji, M., Zabihi, F., Bahi, A., Sredojević, D., Nedeljković, J., Macharia, D. K., Ciprian, M., Yang, S.,& Ko, F.. (2023). Photon-driven bactericidal performance of surface-modified TiO2 nanofibers. in Journal of Materials Chemistry C.
https://doi.org/10.1039/D3TC00473B

Shahriari-Khalaji M, Zabihi F, Bahi A, Sredojević D, Nedeljković J, Macharia DK, Ciprian M, Yang S, Ko F. Photon-driven bactericidal performance of surface-modified TiO2 nanofibers. in Journal of Materials Chemistry C. 2023;.
doi:10.1039/D3TC00473B .

Shahriari-Khalaji, Mina, Zabihi, Fatemeh, Bahi, Addie, Sredojević, Dušan, Nedeljković, Jovan, Macharia, Daniel K., Ciprian, Matteo, Yang, Shengyuan, Ko, Frank, "Photon-driven bactericidal performance of surface-modified TiO2 nanofibers" in Journal of Materials Chemistry C (2023),
https://doi.org/10.1039/D3TC00473B . .

TY  - JOUR
AU  - Zarubica, Aleksandra
AU  - Sredojević, Dušan
AU  - Ljupković, Radomir
AU  - Ranđelović, Marjan
AU  - Murafa, Natalija
AU  - Stoiljković, Milovan
AU  - Lazić, Vesna
AU  - Nedeljković, Jovan
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10874
AB  - The interfacial charge transfer (ICT) complex formation between zirconium dioxide (ZrO2), the material absorbing below 250 nm, and 5-aminosalicylic acid (5-ASA) leads to the formation of visible-light-absorbing inorganic–organic hybrids. The free amino groups, present on the hybrid's surface after the ICT complex formation, were used to reduce silver ions and link silver particles to ZrO2. The prepared samples were characterized by using transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms. Density functional theory (DFT) calculations using a cluster model are applied to explain optical changes in hybrids, i.e., absorption redshift induced by the ICT complex formation. Decolorization of an organic dye crystal violet (CV), under ultraviolet-C or visible light, was used to compare the photocatalytic ability of the prepared samples. The ICT complex formation transformed ZrO2 into a hybrid material able to induce photocatalytic reactions under exclusive visible light excitation.
T2  - Sustainable Energy and Fuels
T1  - Photocatalytic ability of visible-light-responsive hybrid ZrO2 particles
VL  - 7
IS  - 9
SP  - 2279
EP  - 2287
DO  - 10.1039/D3SE00175J
ER  - 

@article{
author = "Zarubica, Aleksandra and Sredojević, Dušan and Ljupković, Radomir and Ranđelović, Marjan and Murafa, Natalija and Stoiljković, Milovan and Lazić, Vesna and Nedeljković, Jovan",
year = "2023",
abstract = "The interfacial charge transfer (ICT) complex formation between zirconium dioxide (ZrO2), the material absorbing below 250 nm, and 5-aminosalicylic acid (5-ASA) leads to the formation of visible-light-absorbing inorganic–organic hybrids. The free amino groups, present on the hybrid's surface after the ICT complex formation, were used to reduce silver ions and link silver particles to ZrO2. The prepared samples were characterized by using transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms. Density functional theory (DFT) calculations using a cluster model are applied to explain optical changes in hybrids, i.e., absorption redshift induced by the ICT complex formation. Decolorization of an organic dye crystal violet (CV), under ultraviolet-C or visible light, was used to compare the photocatalytic ability of the prepared samples. The ICT complex formation transformed ZrO2 into a hybrid material able to induce photocatalytic reactions under exclusive visible light excitation.",
journal = "Sustainable Energy and Fuels",
title = "Photocatalytic ability of visible-light-responsive hybrid ZrO2 particles",
volume = "7",
number = "9",
pages = "2279-2287",
doi = "10.1039/D3SE00175J"
}

Zarubica, A., Sredojević, D., Ljupković, R., Ranđelović, M., Murafa, N., Stoiljković, M., Lazić, V.,& Nedeljković, J.. (2023). Photocatalytic ability of visible-light-responsive hybrid ZrO2 particles. in Sustainable Energy and Fuels, 7(9), 2279-2287.
https://doi.org/10.1039/D3SE00175J

Zarubica A, Sredojević D, Ljupković R, Ranđelović M, Murafa N, Stoiljković M, Lazić V, Nedeljković J. Photocatalytic ability of visible-light-responsive hybrid ZrO2 particles. in Sustainable Energy and Fuels. 2023;7(9):2279-2287.
doi:10.1039/D3SE00175J .

Zarubica, Aleksandra, Sredojević, Dušan, Ljupković, Radomir, Ranđelović, Marjan, Murafa, Natalija, Stoiljković, Milovan, Lazić, Vesna, Nedeljković, Jovan, "Photocatalytic ability of visible-light-responsive hybrid ZrO2 particles" in Sustainable Energy and Fuels, 7, no. 9 (2023):2279-2287,
https://doi.org/10.1039/D3SE00175J . .

TY  - CONF
AU  - Dukić, Miljana
AU  - Nikšić, Valentina
AU  - Sredojević, Dušan
AU  - Lazić, Vesna
AU  - Nedeljković, Jovan
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13037
AB  - Cink oksid (ZnO) je poluprovodni material sa velikim energetskim procepom, sa najčešćom primenom u fotokatalizi. Površinska modifikacija nanočestica ZnO ligandima salicilatnog tipa (salicilna kiselina i 5-aminosalicilna kiselina) kao i ligandima kateholatnog tipa (katehol, 3,4-dihidroksibenzoeva kiselina i kafeinska kiselina) dovodi do pomeranja apsorpcije ka vidljivom delu spectra usled formiranja kompleksa sa prenosom naelektrisanja (ICT). Pripremljeni uzorci su okarakterisani infracrvenom spektroskopijom (FTIR) koja je korišćena za identifikaciju načina vezivanja između liganada i ZnO. Proračuni teorije funkcionalne gustine (DFT) sa pravilno dizajniranim klasterima, izvedeni su za procenu usklađenosti energetskih nivoa različitih neorganskih/organskih hibrida. Utvrđena je značajna usaglašenost između izračunatih i eksperimentalnih vrednosti za FTIR i refleksione spektre.
AB  - Zinc oxide (ZnO) is a wide bandgap ceramic material with various potential applications like photocatalysis. Surface modification of ZnO nano-powder with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4dihydroxybenzoic acid, and caffeic acid), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. The prepared samples were characterized by Fourier-transform infrared spectroscopy (FTIR), used to identify the binding mode between ligands and the surface of ZnO. The density functional theory (DFT) calculations with properly designed model systems, were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data for FTIR and reflectance spectra was found.
PB  - Belgrade : Serbian Chemical Society
C3  - 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings
T1  - Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO
T1  - Synthesis and characterization of hybrid nanomaterials based on ZnO
SP  - 140
EP  - 140
UR  - https://hdl.handle.net/21.15107/rcub_vinar_13037
ER  - 

@conference{
author = "Dukić, Miljana and Nikšić, Valentina and Sredojević, Dušan and Lazić, Vesna and Nedeljković, Jovan",
year = "2023",
abstract = "Cink oksid (ZnO) je poluprovodni material sa velikim energetskim procepom, sa najčešćom primenom u fotokatalizi. Površinska modifikacija nanočestica ZnO ligandima salicilatnog tipa (salicilna kiselina i 5-aminosalicilna kiselina) kao i ligandima kateholatnog tipa (katehol, 3,4-dihidroksibenzoeva kiselina i kafeinska kiselina) dovodi do pomeranja apsorpcije ka vidljivom delu spectra usled formiranja kompleksa sa prenosom naelektrisanja (ICT). Pripremljeni uzorci su okarakterisani infracrvenom spektroskopijom (FTIR) koja je korišćena za identifikaciju načina vezivanja između liganada i ZnO. Proračuni teorije funkcionalne gustine (DFT) sa pravilno dizajniranim klasterima, izvedeni su za procenu usklađenosti energetskih nivoa različitih neorganskih/organskih hibrida. Utvrđena je značajna usaglašenost između izračunatih i eksperimentalnih vrednosti za FTIR i refleksione spektre., Zinc oxide (ZnO) is a wide bandgap ceramic material with various potential applications like photocatalysis. Surface modification of ZnO nano-powder with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4dihydroxybenzoic acid, and caffeic acid), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. The prepared samples were characterized by Fourier-transform infrared spectroscopy (FTIR), used to identify the binding mode between ligands and the surface of ZnO. The density functional theory (DFT) calculations with properly designed model systems, were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data for FTIR and reflectance spectra was found.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings",
title = "Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO, Synthesis and characterization of hybrid nanomaterials based on ZnO",
pages = "140-140",
url = "https://hdl.handle.net/21.15107/rcub_vinar_13037"
}

Dukić, M., Nikšić, V., Sredojević, D., Lazić, V.,& Nedeljković, J.. (2023). Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO. in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings
Belgrade : Serbian Chemical Society., 140-140.
https://hdl.handle.net/21.15107/rcub_vinar_13037

Dukić M, Nikšić V, Sredojević D, Lazić V, Nedeljković J. Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO. in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings. 2023;:140-140.
https://hdl.handle.net/21.15107/rcub_vinar_13037 .

Dukić, Miljana, Nikšić, Valentina, Sredojević, Dušan, Lazić, Vesna, Nedeljković, Jovan, "Sinteza i karakterizacija hibridnih nanomaterijala na bazi ZnO" in 59th Meeting of the Serbian Chemical Society : Book of Abstracts, Proceedings (2023):140-140,
https://hdl.handle.net/21.15107/rcub_vinar_13037 .

TY  - CONF
AU  - Trpkov, Đorđe
AU  - Sredojević, Dušan
AU  - Tošić, Dragana
AU  - Pajović, J.
AU  - Božanić, Dušan K.
AU  - Đoković, Vladimir
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11806
AB  - Graphene quantum dots, zero-dimensional form of graphene, have a band gap that can be controlled by changing their size, shape, edge morphology, number of layers etc. Moreover, they have various edge terminations that can be physically/chemically functionalized for numerous applications in nano electronics, biosensors, supercapacitors, and nanomedicine. In the present study, we hydrothermally synthesized nitrogen-doped graphene quantum dots (NGQD), using simple, fast synthetic route and eco-friendly chemicals, such as citric acid and urea (amine group-rich). The obtained NGQD were physically functionalized by L-phenylalanine, aromatic amino acid with interesting fluorescent properties. The hybrid NGQD-LPhe samples were characterized with UV/Vis, Raman, ATR Fourier transformed infra-red and photoluminescence (PL) spectroscopies, while their morphologies were studied by using atomic force microscopy. This work created a base for future investigations on graphene/biomolecules hybrids and their applications in fields of bioimaging and drug delivery. In addition, the experimental results were supported by DFT calculations of non-covalent stacking and hydrogen bonding interactions between NGQD and biomolecules.
PB  - Belgrade : Vinča Institute of Nuclear Sciences
C3  - PHOTONICA2023 : 9th International School and Conference on Photonics : book of abstracts; August 28 - September 1, 2023; Belgrade
T1  - Yellow fluorescent, water soluble N-doped graphene quantum dots: synthesis, photoluminescence and functionalization with L-Phenylalanine
SP  - 66
EP  - 66
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11806
ER  - 

@conference{
author = "Trpkov, Đorđe and Sredojević, Dušan and Tošić, Dragana and Pajović, J. and Božanić, Dušan K. and Đoković, Vladimir",
year = "2023",
abstract = "Graphene quantum dots, zero-dimensional form of graphene, have a band gap that can be controlled by changing their size, shape, edge morphology, number of layers etc. Moreover, they have various edge terminations that can be physically/chemically functionalized for numerous applications in nano electronics, biosensors, supercapacitors, and nanomedicine. In the present study, we hydrothermally synthesized nitrogen-doped graphene quantum dots (NGQD), using simple, fast synthetic route and eco-friendly chemicals, such as citric acid and urea (amine group-rich). The obtained NGQD were physically functionalized by L-phenylalanine, aromatic amino acid with interesting fluorescent properties. The hybrid NGQD-LPhe samples were characterized with UV/Vis, Raman, ATR Fourier transformed infra-red and photoluminescence (PL) spectroscopies, while their morphologies were studied by using atomic force microscopy. This work created a base for future investigations on graphene/biomolecules hybrids and their applications in fields of bioimaging and drug delivery. In addition, the experimental results were supported by DFT calculations of non-covalent stacking and hydrogen bonding interactions between NGQD and biomolecules.",
publisher = "Belgrade : Vinča Institute of Nuclear Sciences",
journal = "PHOTONICA2023 : 9th International School and Conference on Photonics : book of abstracts; August 28 - September 1, 2023; Belgrade",
title = "Yellow fluorescent, water soluble N-doped graphene quantum dots: synthesis, photoluminescence and functionalization with L-Phenylalanine",
pages = "66-66",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11806"
}

Trpkov, Đ., Sredojević, D., Tošić, D., Pajović, J., Božanić, D. K.,& Đoković, V.. (2023). Yellow fluorescent, water soluble N-doped graphene quantum dots: synthesis, photoluminescence and functionalization with L-Phenylalanine. in PHOTONICA2023 : 9th International School and Conference on Photonics : book of abstracts; August 28 - September 1, 2023; Belgrade
Belgrade : Vinča Institute of Nuclear Sciences., 66-66.
https://hdl.handle.net/21.15107/rcub_vinar_11806

Trpkov Đ, Sredojević D, Tošić D, Pajović J, Božanić DK, Đoković V. Yellow fluorescent, water soluble N-doped graphene quantum dots: synthesis, photoluminescence and functionalization with L-Phenylalanine. in PHOTONICA2023 : 9th International School and Conference on Photonics : book of abstracts; August 28 - September 1, 2023; Belgrade. 2023;:66-66.
https://hdl.handle.net/21.15107/rcub_vinar_11806 .

Trpkov, Đorđe, Sredojević, Dušan, Tošić, Dragana, Pajović, J., Božanić, Dušan K., Đoković, Vladimir, "Yellow fluorescent, water soluble N-doped graphene quantum dots: synthesis, photoluminescence and functionalization with L-Phenylalanine" in PHOTONICA2023 : 9th International School and Conference on Photonics : book of abstracts; August 28 - September 1, 2023; Belgrade (2023):66-66,
https://hdl.handle.net/21.15107/rcub_vinar_11806 .

TY  - JOUR
AU  - Malček, Michal
AU  - Sredojević, Dušan
AU  - Tkač, Ondrej
AU  - Bucinsky, Lukas
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11454
AB  - Hydrogen (H2) is an excellent energy carrier and can be produced in an environmentally friendly way. The H2 binding performance of different Sc-, Ti-, and V-doped carbon surfaces (i.e., graphenes, circumcoronenes, and circumtrindenes) is investigated using density functional theory. The calculated H2 binding energies are ranging from −12 kJ mol−1 to −22 kJ mol−1 for one H2 molecule per transition metal (TM) atom. Such binding energies are suitable for reversible H2 adsorption and desorption cycle. Obtained results suggest that the curvature of the TM-doped carbon surfaces enhances their H2 binding ability. TM atom in the curved carbon surfaces, representing an active site, is sterically more easily accessible for H2 binding than in the case of the planar metal-doped graphene surfaces. For comparison, the N2 binding ability of the same set of TM-doped carbon surfaces is studied as well. © 2023 Elsevier B.V.
T2  - Diamond and Related Materials
T1  - Effect of surface curvature on the hydrogen storage capacity of the Sc-, Ti-, and V-doped graphene surfaces: Theoretical study
VL  - 139
SP  - 110335
DO  - 10.1016/j.diamond.2023.110335
ER  - 

@article{
author = "Malček, Michal and Sredojević, Dušan and Tkač, Ondrej and Bucinsky, Lukas",
year = "2023",
abstract = "Hydrogen (H2) is an excellent energy carrier and can be produced in an environmentally friendly way. The H2 binding performance of different Sc-, Ti-, and V-doped carbon surfaces (i.e., graphenes, circumcoronenes, and circumtrindenes) is investigated using density functional theory. The calculated H2 binding energies are ranging from −12 kJ mol−1 to −22 kJ mol−1 for one H2 molecule per transition metal (TM) atom. Such binding energies are suitable for reversible H2 adsorption and desorption cycle. Obtained results suggest that the curvature of the TM-doped carbon surfaces enhances their H2 binding ability. TM atom in the curved carbon surfaces, representing an active site, is sterically more easily accessible for H2 binding than in the case of the planar metal-doped graphene surfaces. For comparison, the N2 binding ability of the same set of TM-doped carbon surfaces is studied as well. © 2023 Elsevier B.V.",
journal = "Diamond and Related Materials",
title = "Effect of surface curvature on the hydrogen storage capacity of the Sc-, Ti-, and V-doped graphene surfaces: Theoretical study",
volume = "139",
pages = "110335",
doi = "10.1016/j.diamond.2023.110335"
}

Malček, M., Sredojević, D., Tkač, O.,& Bucinsky, L.. (2023). Effect of surface curvature on the hydrogen storage capacity of the Sc-, Ti-, and V-doped graphene surfaces: Theoretical study. in Diamond and Related Materials, 139, 110335.
https://doi.org/10.1016/j.diamond.2023.110335

Malček M, Sredojević D, Tkač O, Bucinsky L. Effect of surface curvature on the hydrogen storage capacity of the Sc-, Ti-, and V-doped graphene surfaces: Theoretical study. in Diamond and Related Materials. 2023;139:110335.
doi:10.1016/j.diamond.2023.110335 .

Malček, Michal, Sredojević, Dušan, Tkač, Ondrej, Bucinsky, Lukas, "Effect of surface curvature on the hydrogen storage capacity of the Sc-, Ti-, and V-doped graphene surfaces: Theoretical study" in Diamond and Related Materials, 139 (2023):110335,
https://doi.org/10.1016/j.diamond.2023.110335 . .

TY  - JOUR
AU  - Vukoje, Ivana
AU  - Lazić, Vesna M.
AU  - Sredojević, Dušan
AU  - Fernandes, Margarida M.
AU  - Lanceros-Mendez, Senentxu
AU  - Ahrenkiel, S. Phillip
AU  - Nedeljković, Jovan
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10052
AB  - Aqueous colloids, consisting of 15–30 nm-sized silver nanoparticles (Ag NPs), were prepared using the reducing and stabilizing abilities of glucose, sucrose, and dextran. The long-term stability of coated Ag NPs increases from glucose over sucrose to dextran, i.e., with the increase of the molecular weight of carbohydrate molecules. The density functional theory (DFT) calculations of the partial atomic (Mulliken) charges and adsorption energies are applied to explain the enhanced stability of coated Ag NPs. All coated Ag NPs have a significantly broader concentration range of nontoxic behavior toward pre-osteoblast cells than bare Ag NPs prepared using sodium borohydride. The carbohydrate-coated Ag NPs display the same level of toxic ability against Gram-negative (Escherichia coli) and Gram-positive (Staphylococcus aureus) bacteria as bare Ag NPs. The differences in toxicity mechanism of the coated and bare Ag NPs are a consequence of the absence and presence of co-occurring Ag+ ions in examined dispersion, respectively.
T2  - International Journal of Biological Macromolecules
T2  - International Journal of Biological MacromoleculesInternational Journal of Biological Macromolecules
T1  - Influence of glucose, sucrose, and dextran coatings on the stability and toxicity of silver nanoparticles
VL  - 194
SP  - 461
EP  - 469
DO  - 10.1016/j.ijbiomac.2021.11.089
ER  - 

@article{
author = "Vukoje, Ivana and Lazić, Vesna M. and Sredojević, Dušan and Fernandes, Margarida M. and Lanceros-Mendez, Senentxu and Ahrenkiel, S. Phillip and Nedeljković, Jovan",
year = "2022",
abstract = "Aqueous colloids, consisting of 15–30 nm-sized silver nanoparticles (Ag NPs), were prepared using the reducing and stabilizing abilities of glucose, sucrose, and dextran. The long-term stability of coated Ag NPs increases from glucose over sucrose to dextran, i.e., with the increase of the molecular weight of carbohydrate molecules. The density functional theory (DFT) calculations of the partial atomic (Mulliken) charges and adsorption energies are applied to explain the enhanced stability of coated Ag NPs. All coated Ag NPs have a significantly broader concentration range of nontoxic behavior toward pre-osteoblast cells than bare Ag NPs prepared using sodium borohydride. The carbohydrate-coated Ag NPs display the same level of toxic ability against Gram-negative (Escherichia coli) and Gram-positive (Staphylococcus aureus) bacteria as bare Ag NPs. The differences in toxicity mechanism of the coated and bare Ag NPs are a consequence of the absence and presence of co-occurring Ag+ ions in examined dispersion, respectively.",
journal = "International Journal of Biological Macromolecules, International Journal of Biological MacromoleculesInternational Journal of Biological Macromolecules",
title = "Influence of glucose, sucrose, and dextran coatings on the stability and toxicity of silver nanoparticles",
volume = "194",
pages = "461-469",
doi = "10.1016/j.ijbiomac.2021.11.089"
}

Vukoje, I., Lazić, V. M., Sredojević, D., Fernandes, M. M., Lanceros-Mendez, S., Ahrenkiel, S. P.,& Nedeljković, J.. (2022). Influence of glucose, sucrose, and dextran coatings on the stability and toxicity of silver nanoparticles. in International Journal of Biological Macromolecules, 194, 461-469.
https://doi.org/10.1016/j.ijbiomac.2021.11.089

Vukoje I, Lazić VM, Sredojević D, Fernandes MM, Lanceros-Mendez S, Ahrenkiel SP, Nedeljković J. Influence of glucose, sucrose, and dextran coatings on the stability and toxicity of silver nanoparticles. in International Journal of Biological Macromolecules. 2022;194:461-469.
doi:10.1016/j.ijbiomac.2021.11.089 .

Vukoje, Ivana, Lazić, Vesna M., Sredojević, Dušan, Fernandes, Margarida M., Lanceros-Mendez, Senentxu, Ahrenkiel, S. Phillip, Nedeljković, Jovan, "Influence of glucose, sucrose, and dextran coatings on the stability and toxicity of silver nanoparticles" in International Journal of Biological Macromolecules, 194 (2022):461-469,
https://doi.org/10.1016/j.ijbiomac.2021.11.089 . .

TY  - JOUR
AU  - Barbieriková, Zuzana
AU  - Šimunková, Miriama
AU  - Brezová, Vlasta
AU  - Sredojević, Dušan
AU  - Lazić, Vesna M.
AU  - Lončarević, Davor
AU  - Nedeljković, Jovan
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10091
AB  - The attachment of squaric acid, a non-aromatic molecule, to the surface of TiO2 powder induced the optical absorption of the obtained hybrid material in the visible spectral range due to the interfacial charge transfer complex formation. The optical characterization of the hybrid is supported by the density functional theory calculations of the model cluster. The paramagnetic species generated upon excitation with ultraviolet or visible light, in both TiO2 powders, pristine and surface-modified, were identified conducting low-temperature solid-state and indirect electron paramagnetic resonance (EPR) spectroscopy experiments (spin trapping and spin scavenging). The solid-state EPR experiments indicated the promotion of electrons from the organic moiety to the titania conduction band under visible-light excitation of hybrid. Also, the spin scavenging experiments showed that the electrons generated in the hybrid upon the visible-light activation facilitate the reduction of the radical cations present in the dispersion, while these effects are not observed for pristine TiO2.
T2  - Optical Materials
T1  - Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid
VL  - 123
SP  - 111918
DO  - 10.1016/j.optmat.2021.111918
ER  - 

@article{
author = "Barbieriková, Zuzana and Šimunková, Miriama and Brezová, Vlasta and Sredojević, Dušan and Lazić, Vesna M. and Lončarević, Davor and Nedeljković, Jovan",
year = "2022",
abstract = "The attachment of squaric acid, a non-aromatic molecule, to the surface of TiO2 powder induced the optical absorption of the obtained hybrid material in the visible spectral range due to the interfacial charge transfer complex formation. The optical characterization of the hybrid is supported by the density functional theory calculations of the model cluster. The paramagnetic species generated upon excitation with ultraviolet or visible light, in both TiO2 powders, pristine and surface-modified, were identified conducting low-temperature solid-state and indirect electron paramagnetic resonance (EPR) spectroscopy experiments (spin trapping and spin scavenging). The solid-state EPR experiments indicated the promotion of electrons from the organic moiety to the titania conduction band under visible-light excitation of hybrid. Also, the spin scavenging experiments showed that the electrons generated in the hybrid upon the visible-light activation facilitate the reduction of the radical cations present in the dispersion, while these effects are not observed for pristine TiO2.",
journal = "Optical Materials",
title = "Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid",
volume = "123",
pages = "111918",
doi = "10.1016/j.optmat.2021.111918"
}

Barbieriková, Z., Šimunková, M., Brezová, V., Sredojević, D., Lazić, V. M., Lončarević, D.,& Nedeljković, J.. (2022). Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid. in Optical Materials, 123, 111918.
https://doi.org/10.1016/j.optmat.2021.111918

Barbieriková Z, Šimunková M, Brezová V, Sredojević D, Lazić VM, Lončarević D, Nedeljković J. Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid. in Optical Materials. 2022;123:111918.
doi:10.1016/j.optmat.2021.111918 .

Barbieriková, Zuzana, Šimunková, Miriama, Brezová, Vlasta, Sredojević, Dušan, Lazić, Vesna M., Lončarević, Davor, Nedeljković, Jovan, "Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid" in Optical Materials, 123 (2022):111918,
https://doi.org/10.1016/j.optmat.2021.111918 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Stavrić, Srđan
AU  - Lazić, Vesna M.
AU  - Ahrenkiel, S. Phillip
AU  - Nedeljković, Jovan
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10352
AB  - The optical properties of surface-modified silver nanoparticles (Ag NPs) with aromatic amino acids tryptophan (Trp) and histidine (His) were examined using the cluster model for density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Also, the redistribution of electronic charges upon chemisorption of ligand molecules onto silver's surfaces is determined. The obtained theoretical data, on one side, undoubtedly indicate the the formation of an interfacial charge transfer (ICT) complex between silver and this type of ligand, and, on the other side, partial oxidation of surface silver atoms accompanied by an increase of electron density in ligand molecules. The ICT complex formation, based on noble metal nanoparticles, has never been reported previously to the best of our knowledge. The experimental spectroscopic measurements support the theoretical data. A new absorption band in the visible spectral range appears upon surface modification of Ag NPs, and, when exposed to air, oxidation of surface-modified Ag NPs is significantly faster than the oxidation of the unmodified ones.
T2  - Physical Chemistry Chemical Physics
T1  - Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids
VL  - 24
IS  - 27
SP  - 16493
EP  - 16500
DO  - 10.1039/D2CP02041F
ER  - 

@article{
author = "Sredojević, Dušan and Stavrić, Srđan and Lazić, Vesna M. and Ahrenkiel, S. Phillip and Nedeljković, Jovan",
year = "2022",
abstract = "The optical properties of surface-modified silver nanoparticles (Ag NPs) with aromatic amino acids tryptophan (Trp) and histidine (His) were examined using the cluster model for density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Also, the redistribution of electronic charges upon chemisorption of ligand molecules onto silver's surfaces is determined. The obtained theoretical data, on one side, undoubtedly indicate the the formation of an interfacial charge transfer (ICT) complex between silver and this type of ligand, and, on the other side, partial oxidation of surface silver atoms accompanied by an increase of electron density in ligand molecules. The ICT complex formation, based on noble metal nanoparticles, has never been reported previously to the best of our knowledge. The experimental spectroscopic measurements support the theoretical data. A new absorption band in the visible spectral range appears upon surface modification of Ag NPs, and, when exposed to air, oxidation of surface-modified Ag NPs is significantly faster than the oxidation of the unmodified ones.",
journal = "Physical Chemistry Chemical Physics",
title = "Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids",
volume = "24",
number = "27",
pages = "16493-16500",
doi = "10.1039/D2CP02041F"
}

Sredojević, D., Stavrić, S., Lazić, V. M., Ahrenkiel, S. P.,& Nedeljković, J.. (2022). Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids. in Physical Chemistry Chemical Physics, 24(27), 16493-16500.
https://doi.org/10.1039/D2CP02041F

Sredojević D, Stavrić S, Lazić VM, Ahrenkiel SP, Nedeljković J. Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids. in Physical Chemistry Chemical Physics. 2022;24(27):16493-16500.
doi:10.1039/D2CP02041F .

Sredojević, Dušan, Stavrić, Srđan, Lazić, Vesna M., Ahrenkiel, S. Phillip, Nedeljković, Jovan, "Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids" in Physical Chemistry Chemical Physics, 24, no. 27 (2022):16493-16500,
https://doi.org/10.1039/D2CP02041F . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Lazić, Vesna M.
AU  - Pirković, Andrea
AU  - Periša, Jovana
AU  - Murafa, Natalija
AU  - Spremo-Potparević, Biljana
AU  - Živković, Lada
AU  - Topalović, Dijana
AU  - Zarubica, Aleksandra
AU  - Jovanović Krivokuća, Milica
AU  - Nedeljković, Jovan
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10445
AB  - The antibacterial performance and cytotoxic examination of in situ prepared silver nanoparticles (Ag NPs), on inorganic-organic hybrid nanopowder consisting of zirconium dioxide nanoparticles (ZrO2 NPs) and dihydroquercetin (DHQ), was performed against Gram (−) bacteria Escherichia coli and Gram (+) bacteria Staphylococcus aureus, as well as against human cervical cancer cells HeLa and healthy MRC-5 human cells. The surface modification of ZrO2 NPs, synthesized by the sol-gel method, with DHQ leads to the interfacial charge transfer (ICT) complex formation indicated by the appearance of absorption in the visible spectral range. The prepared samples were thoroughly characterized (TEM, XRD, reflection spectroscopy), and, in addition, the spectroscopic observations are supported by the density functional theory (DFT) calculations using a cluster model. The concentration- and time-dependent antibacterial tests indicated a complete reduction of bacterial species, E. coli and S. aureus, for all investigated concentrations of silver (0.10, 0.25, and 0.50 mg/mL) after 24 h of contact. On the other side, the functionalized ZrO2 NPs with DHQ, before and after deposition of Ag NPs, do not display a significant decrease in the viability of HeLa MRC-5 cells in any of the used concentrations compared to the control.
T2  - Nanomaterials
T1  - Toxicity of Silver Nanoparticles Supported by Surface-Modified Zirconium Dioxide with Dihydroquercetin
VL  - 12
IS  - 18
SP  - 3195
DO  - 10.3390/nano12183195
ER  - 

@article{
author = "Sredojević, Dušan and Lazić, Vesna M. and Pirković, Andrea and Periša, Jovana and Murafa, Natalija and Spremo-Potparević, Biljana and Živković, Lada and Topalović, Dijana and Zarubica, Aleksandra and Jovanović Krivokuća, Milica and Nedeljković, Jovan",
year = "2022",
abstract = "The antibacterial performance and cytotoxic examination of in situ prepared silver nanoparticles (Ag NPs), on inorganic-organic hybrid nanopowder consisting of zirconium dioxide nanoparticles (ZrO2 NPs) and dihydroquercetin (DHQ), was performed against Gram (−) bacteria Escherichia coli and Gram (+) bacteria Staphylococcus aureus, as well as against human cervical cancer cells HeLa and healthy MRC-5 human cells. The surface modification of ZrO2 NPs, synthesized by the sol-gel method, with DHQ leads to the interfacial charge transfer (ICT) complex formation indicated by the appearance of absorption in the visible spectral range. The prepared samples were thoroughly characterized (TEM, XRD, reflection spectroscopy), and, in addition, the spectroscopic observations are supported by the density functional theory (DFT) calculations using a cluster model. The concentration- and time-dependent antibacterial tests indicated a complete reduction of bacterial species, E. coli and S. aureus, for all investigated concentrations of silver (0.10, 0.25, and 0.50 mg/mL) after 24 h of contact. On the other side, the functionalized ZrO2 NPs with DHQ, before and after deposition of Ag NPs, do not display a significant decrease in the viability of HeLa MRC-5 cells in any of the used concentrations compared to the control.",
journal = "Nanomaterials",
title = "Toxicity of Silver Nanoparticles Supported by Surface-Modified Zirconium Dioxide with Dihydroquercetin",
volume = "12",
number = "18",
pages = "3195",
doi = "10.3390/nano12183195"
}

Sredojević, D., Lazić, V. M., Pirković, A., Periša, J., Murafa, N., Spremo-Potparević, B., Živković, L., Topalović, D., Zarubica, A., Jovanović Krivokuća, M.,& Nedeljković, J.. (2022). Toxicity of Silver Nanoparticles Supported by Surface-Modified Zirconium Dioxide with Dihydroquercetin. in Nanomaterials, 12(18), 3195.
https://doi.org/10.3390/nano12183195

Sredojević D, Lazić VM, Pirković A, Periša J, Murafa N, Spremo-Potparević B, Živković L, Topalović D, Zarubica A, Jovanović Krivokuća M, Nedeljković J. Toxicity of Silver Nanoparticles Supported by Surface-Modified Zirconium Dioxide with Dihydroquercetin. in Nanomaterials. 2022;12(18):3195.
doi:10.3390/nano12183195 .

Sredojević, Dušan, Lazić, Vesna M., Pirković, Andrea, Periša, Jovana, Murafa, Natalija, Spremo-Potparević, Biljana, Živković, Lada, Topalović, Dijana, Zarubica, Aleksandra, Jovanović Krivokuća, Milica, Nedeljković, Jovan, "Toxicity of Silver Nanoparticles Supported by Surface-Modified Zirconium Dioxide with Dihydroquercetin" in Nanomaterials, 12, no. 18 (2022):3195,
https://doi.org/10.3390/nano12183195 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Belić, Milivoj R.
AU  - Šljivančanin, Željko
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10296
AB  - Despite ample studies devoted to single-atom catalysts (SACs) based on two-dimensional materials, their structural robustness under atmospheric conditions has not been addressed so far. Using density functional theory, we examined the structural stability of metal adatoms embedded into mono-atomic vacancies of graphene and hexagonal boron nitride (h-BN) in the presence of oxygen molecules. We considered 30 different elements from the periodic table, including early- and late transition as well as noble metals. We found that the highest stability occurs in SACs with a missing B atom in h-BN, utilized as the trapping site for metal adatoms. The structural stability is preserved for most of the transition metals embedded into mono-atomic vacancies of graphene. The least stable are SACs formed when metal binding occurs at the missing N atom in h-BN. We found that a general picture of the structural stability of SACs in the oxygen environment can be provided from the comparison of binding energies of O and metal atoms at three defected surfaces. A refined understanding of the structural stability of SACs requires coadsorption of metal and O atoms and a closer inspection of electronic properties of metal atoms and mono-atomic point defects at graphene and h-BN, which is also presented here.
T2  - The Journal of Physical Chemistry C
T1  - Single-Atom Catalysts Supported by Graphene and Hexagonal Boron Nitride: Structural Stability in the Oxygen Environment
VL  - 126
IS  - 20
SP  - 8637
EP  - 8644
DO  - 10.1021/acs.jpcc.2c01823
ER  - 

@article{
author = "Sredojević, Dušan and Belić, Milivoj R. and Šljivančanin, Željko",
year = "2022",
abstract = "Despite ample studies devoted to single-atom catalysts (SACs) based on two-dimensional materials, their structural robustness under atmospheric conditions has not been addressed so far. Using density functional theory, we examined the structural stability of metal adatoms embedded into mono-atomic vacancies of graphene and hexagonal boron nitride (h-BN) in the presence of oxygen molecules. We considered 30 different elements from the periodic table, including early- and late transition as well as noble metals. We found that the highest stability occurs in SACs with a missing B atom in h-BN, utilized as the trapping site for metal adatoms. The structural stability is preserved for most of the transition metals embedded into mono-atomic vacancies of graphene. The least stable are SACs formed when metal binding occurs at the missing N atom in h-BN. We found that a general picture of the structural stability of SACs in the oxygen environment can be provided from the comparison of binding energies of O and metal atoms at three defected surfaces. A refined understanding of the structural stability of SACs requires coadsorption of metal and O atoms and a closer inspection of electronic properties of metal atoms and mono-atomic point defects at graphene and h-BN, which is also presented here.",
journal = "The Journal of Physical Chemistry C",
title = "Single-Atom Catalysts Supported by Graphene and Hexagonal Boron Nitride: Structural Stability in the Oxygen Environment",
volume = "126",
number = "20",
pages = "8637-8644",
doi = "10.1021/acs.jpcc.2c01823"
}

Sredojević, D., Belić, M. R.,& Šljivančanin, Ž.. (2022). Single-Atom Catalysts Supported by Graphene and Hexagonal Boron Nitride: Structural Stability in the Oxygen Environment. in The Journal of Physical Chemistry C, 126(20), 8637-8644.
https://doi.org/10.1021/acs.jpcc.2c01823

Sredojević D, Belić MR, Šljivančanin Ž. Single-Atom Catalysts Supported by Graphene and Hexagonal Boron Nitride: Structural Stability in the Oxygen Environment. in The Journal of Physical Chemistry C. 2022;126(20):8637-8644.
doi:10.1021/acs.jpcc.2c01823 .

Sredojević, Dušan, Belić, Milivoj R., Šljivančanin, Željko, "Single-Atom Catalysts Supported by Graphene and Hexagonal Boron Nitride: Structural Stability in the Oxygen Environment" in The Journal of Physical Chemistry C, 126, no. 20 (2022):8637-8644,
https://doi.org/10.1021/acs.jpcc.2c01823 . .

TY  - CONF
AU  - Dorontić, Slađana
AU  - Sredojević, Dušan
AU  - Bajuk-Bogdanović, Danica
AU  - Jovanović, Svetlana P.
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12498
AB  - The increasing presence of pesticides and heavy metals in the environment and their negative impact on human, animal, and plant health, demand green, low-cost, and simple methods for their monitoring. Due to photoluminescence (PL) in the visible part of the spectrum, biocompatibility, and ecological acceptability, graphene quantum dots (GQDs) are at the center of attention in the field of optical sensing. GQDs show great potential as PL sensors for Pd(II) ions and insecticide carbofuran. In this work, FTIR spectroscopy and Density Functional Theory (DFT) calculation were used to resolve the mechanism of PL change in the presence of these analytes.
PB  - Szeged : University of Szeged
C3  - 28th International Symposium on Analytical and Environmental Problems : Proceedings; November 14-15, 2022; Szeged, Hungary
T1  - The Mechanism Behind Pd(II) and Carbofuran-Induced Change of Graphene Quantum Dots Photoluminescence Intensity
SP  - 124
EP  - 128
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12498
ER  - 

@conference{
author = "Dorontić, Slađana and Sredojević, Dušan and Bajuk-Bogdanović, Danica and Jovanović, Svetlana P.",
year = "2022",
abstract = "The increasing presence of pesticides and heavy metals in the environment and their negative impact on human, animal, and plant health, demand green, low-cost, and simple methods for their monitoring. Due to photoluminescence (PL) in the visible part of the spectrum, biocompatibility, and ecological acceptability, graphene quantum dots (GQDs) are at the center of attention in the field of optical sensing. GQDs show great potential as PL sensors for Pd(II) ions and insecticide carbofuran. In this work, FTIR spectroscopy and Density Functional Theory (DFT) calculation were used to resolve the mechanism of PL change in the presence of these analytes.",
publisher = "Szeged : University of Szeged",
journal = "28th International Symposium on Analytical and Environmental Problems : Proceedings; November 14-15, 2022; Szeged, Hungary",
title = "The Mechanism Behind Pd(II) and Carbofuran-Induced Change of Graphene Quantum Dots Photoluminescence Intensity",
pages = "124-128",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12498"
}

Dorontić, S., Sredojević, D., Bajuk-Bogdanović, D.,& Jovanović, S. P.. (2022). The Mechanism Behind Pd(II) and Carbofuran-Induced Change of Graphene Quantum Dots Photoluminescence Intensity. in 28th International Symposium on Analytical and Environmental Problems : Proceedings; November 14-15, 2022; Szeged, Hungary
Szeged : University of Szeged., 124-128.
https://hdl.handle.net/21.15107/rcub_vinar_12498

Dorontić S, Sredojević D, Bajuk-Bogdanović D, Jovanović SP. The Mechanism Behind Pd(II) and Carbofuran-Induced Change of Graphene Quantum Dots Photoluminescence Intensity. in 28th International Symposium on Analytical and Environmental Problems : Proceedings; November 14-15, 2022; Szeged, Hungary. 2022;:124-128.
https://hdl.handle.net/21.15107/rcub_vinar_12498 .

Dorontić, Slađana, Sredojević, Dušan, Bajuk-Bogdanović, Danica, Jovanović, Svetlana P., "The Mechanism Behind Pd(II) and Carbofuran-Induced Change of Graphene Quantum Dots Photoluminescence Intensity" in 28th International Symposium on Analytical and Environmental Problems : Proceedings; November 14-15, 2022; Szeged, Hungary (2022):124-128,
https://hdl.handle.net/21.15107/rcub_vinar_12498 .

TY  - JOUR
AU  - Lazić, Vesna M.
AU  - Pirković, Andrea
AU  - Sredojević, Dušan
AU  - Marković, Jelena P.
AU  - Papan, Jelena
AU  - Ahrenkiel, S. Phillip
AU  - Janković-Častvan, Ivona
AU  - Dekanski, Dragana
AU  - Jovanović Krivokuća, Milica
AU  - Nedeljković, Jovan
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9897
AB  - The toxicity of hybrid nanoparticles, consisting of non-toxic components, zirconium dioxide nanoparticles (ZrO2 NPs), and caffeic acid (CA), was examined against four different cell lines (HTR-8 SV/Neo, JEG-3, JAR, and HeLa). Stable aqueous ZrO2 sol, synthesized by forced hydrolysis, consists of 3–4 nm in size primary particles organized in 30–60 nm in size snowflake-like particles, as determined by transmission electron microscopy and direct light scattering measurements. The surface modification of ZrO2 NPs with CA leads to the formation of an interfacial charge transfer (ICT) complex followed by the appearance of absorption in the visible spectral range. The spectroscopic observations are complemented with the density functional theory calculations using a cluster model. The ZrO2 NPs and CA are non-toxic against four different cell lines in investigated concentration range. Also, ZrO2 NPs promote the proliferation of HTR-8 SV/Neo, JAR, and HeLa cells. On the other hand, hybrid ZrO2/CA NPs induced a significant reduction of the viability of the JEG-3 cells (39 %) for the high concentration of components (1.6 mM ZrO2 and 0.4 mM CA).
T2  - Chemico-Biological Interactions
T1  - Surface-modified ZrO2 nanoparticles with caffeic acid: Characterization and in vitro evaluation of biosafety for placental cells
VL  - 347
SP  - 109618
DO  - 10.1016/j.cbi.2021.109618
ER  - 

@article{
author = "Lazić, Vesna M. and Pirković, Andrea and Sredojević, Dušan and Marković, Jelena P. and Papan, Jelena and Ahrenkiel, S. Phillip and Janković-Častvan, Ivona and Dekanski, Dragana and Jovanović Krivokuća, Milica and Nedeljković, Jovan",
year = "2021",
abstract = "The toxicity of hybrid nanoparticles, consisting of non-toxic components, zirconium dioxide nanoparticles (ZrO2 NPs), and caffeic acid (CA), was examined against four different cell lines (HTR-8 SV/Neo, JEG-3, JAR, and HeLa). Stable aqueous ZrO2 sol, synthesized by forced hydrolysis, consists of 3–4 nm in size primary particles organized in 30–60 nm in size snowflake-like particles, as determined by transmission electron microscopy and direct light scattering measurements. The surface modification of ZrO2 NPs with CA leads to the formation of an interfacial charge transfer (ICT) complex followed by the appearance of absorption in the visible spectral range. The spectroscopic observations are complemented with the density functional theory calculations using a cluster model. The ZrO2 NPs and CA are non-toxic against four different cell lines in investigated concentration range. Also, ZrO2 NPs promote the proliferation of HTR-8 SV/Neo, JAR, and HeLa cells. On the other hand, hybrid ZrO2/CA NPs induced a significant reduction of the viability of the JEG-3 cells (39 %) for the high concentration of components (1.6 mM ZrO2 and 0.4 mM CA).",
journal = "Chemico-Biological Interactions",
title = "Surface-modified ZrO2 nanoparticles with caffeic acid: Characterization and in vitro evaluation of biosafety for placental cells",
volume = "347",
pages = "109618",
doi = "10.1016/j.cbi.2021.109618"
}

Lazić, V. M., Pirković, A., Sredojević, D., Marković, J. P., Papan, J., Ahrenkiel, S. P., Janković-Častvan, I., Dekanski, D., Jovanović Krivokuća, M.,& Nedeljković, J.. (2021). Surface-modified ZrO2 nanoparticles with caffeic acid: Characterization and in vitro evaluation of biosafety for placental cells. in Chemico-Biological Interactions, 347, 109618.
https://doi.org/10.1016/j.cbi.2021.109618

Lazić VM, Pirković A, Sredojević D, Marković JP, Papan J, Ahrenkiel SP, Janković-Častvan I, Dekanski D, Jovanović Krivokuća M, Nedeljković J. Surface-modified ZrO2 nanoparticles with caffeic acid: Characterization and in vitro evaluation of biosafety for placental cells. in Chemico-Biological Interactions. 2021;347:109618.
doi:10.1016/j.cbi.2021.109618 .

Lazić, Vesna M., Pirković, Andrea, Sredojević, Dušan, Marković, Jelena P., Papan, Jelena, Ahrenkiel, S. Phillip, Janković-Častvan, Ivona, Dekanski, Dragana, Jovanović Krivokuća, Milica, Nedeljković, Jovan, "Surface-modified ZrO2 nanoparticles with caffeic acid: Characterization and in vitro evaluation of biosafety for placental cells" in Chemico-Biological Interactions, 347 (2021):109618,
https://doi.org/10.1016/j.cbi.2021.109618 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Raju, Rajesh K
AU  - Moncho, Salvador
AU  - Belić, Milivoj R.
AU  - Brothers, Edward N.
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9084
AB  - Considering that olefins present a large volume feedstock, it is reasonable to expect that their purification is industrially critical. After the discovery of the nickel bis (dithiolene) complex Ni(S2C2(CF3)2)2 that exhibits electro-catalytic activity with olefins but tends to decompose by a competitive reaction route, related complexes have been explored experimentally and theoretically. In this paper, a computational examination is performed on differently charged cobalt and copper bis (oxothiolene) complexes [M (OSC2(CN)2)2] to test their potential applicability as the catalysts for olefin purification, using the simplest olefin, ethylene. Possible reaction pathways for ethylene addition on these complexes were explored, to determine whether some of these candidates can avoid the reaction route that leads to decomposition, which is distinctive from the nickel complex, and to form stable adducts that can subsequently release ethylene by reduction. Our calculations suggest that the neutral cobalt complex might be an alternative catalyst, because all its forms can bind ethylene to produce stable interligand adducts with moderate to low activation barriers, rather than to form intraligand adducts that lead to decomposition. The calculations also predict that these interligand adducts are capable of releasing ethylene upon reduction. In addition, it can produce the desired interligand adducts following two different reaction pathways, assigned as the direct and the indirect, with no need for anion species as co-catalysts, which is crucial for the nickel complex. Thus, the olefin purification process could be much simpler by using this catalyst.
T2  - Journal of Molecular Modeling
T1  - Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification
VL  - 26
IS  - 8
SP  - 205
DO  - 10.1007/s00894-020-04445-x
ER  - 

@article{
author = "Sredojević, Dušan and Raju, Rajesh K and Moncho, Salvador and Belić, Milivoj R. and Brothers, Edward N.",
year = "2020",
abstract = "Considering that olefins present a large volume feedstock, it is reasonable to expect that their purification is industrially critical. After the discovery of the nickel bis (dithiolene) complex Ni(S2C2(CF3)2)2 that exhibits electro-catalytic activity with olefins but tends to decompose by a competitive reaction route, related complexes have been explored experimentally and theoretically. In this paper, a computational examination is performed on differently charged cobalt and copper bis (oxothiolene) complexes [M (OSC2(CN)2)2] to test their potential applicability as the catalysts for olefin purification, using the simplest olefin, ethylene. Possible reaction pathways for ethylene addition on these complexes were explored, to determine whether some of these candidates can avoid the reaction route that leads to decomposition, which is distinctive from the nickel complex, and to form stable adducts that can subsequently release ethylene by reduction. Our calculations suggest that the neutral cobalt complex might be an alternative catalyst, because all its forms can bind ethylene to produce stable interligand adducts with moderate to low activation barriers, rather than to form intraligand adducts that lead to decomposition. The calculations also predict that these interligand adducts are capable of releasing ethylene upon reduction. In addition, it can produce the desired interligand adducts following two different reaction pathways, assigned as the direct and the indirect, with no need for anion species as co-catalysts, which is crucial for the nickel complex. Thus, the olefin purification process could be much simpler by using this catalyst.",
journal = "Journal of Molecular Modeling",
title = "Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification",
volume = "26",
number = "8",
pages = "205",
doi = "10.1007/s00894-020-04445-x"
}

Sredojević, D., Raju, R. K., Moncho, S., Belić, M. R.,& Brothers, E. N.. (2020). Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification. in Journal of Molecular Modeling, 26(8), 205.
https://doi.org/10.1007/s00894-020-04445-x

Sredojević D, Raju RK, Moncho S, Belić MR, Brothers EN. Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification. in Journal of Molecular Modeling. 2020;26(8):205.
doi:10.1007/s00894-020-04445-x .

Sredojević, Dušan, Raju, Rajesh K, Moncho, Salvador, Belić, Milivoj R., Brothers, Edward N., "Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification" in Journal of Molecular Modeling, 26, no. 8 (2020):205,
https://doi.org/10.1007/s00894-020-04445-x . .

TY  - JOUR
AU  - Lazić, Vesna M.
AU  - Živković, Ljiljana
AU  - Sredojević, Dušan
AU  - Fernandes,  Margarida M.
AU  - Lanceros-Mendez,  Senentxu
AU  - Ahrenkiel, Scott Phillip
AU  - Nedeljković, Jovan
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9613
AB  - Cerium dioxide (CeO2) finds applications in areas such as corrosion protection, solar cells, or catalysis, finding increasing applications in biomedicine. This work reports on surface-modified CeO2 particles in order to tune their applicability in the biomedical field. Stable aqueous CeO2 sol, consisting of 3-4 nm in size crystallites, was synthesized using forced hydrolysis. The coordination of catecholate-type of ligands (catechol, caffeic acid, tiron, and dopamine) to the surface-Ce atoms is followed with the appearance of absorption in the visible spectral range as a consequence of interfacial charge-transfer complex formation. The spectroscopic observations are complemented with the density functional theory calculations using a cluster model. The synthesized samples were characterized by X-ray diffraction analysis, transmission electron microscopy, and nitrogen adsorption-desorption isotherms. The ζ-potential measurements indicated that the stability of CeO2 sol is preserved upon surface modification. The pristine CeO2 nanoparticles (NPs) are nontoxic against pre-osteoblast cells in the entire studied concentration range (up to 1.5 mM). Hybrid CeO2 NPs, capped with dopamine or caffeic acid, display toxic behavior for concentrations ≥0.17 and 1.5 mM, respectively. On the other hand, surface-modified CeO2 NPs with catechol and tiron promote the proliferation of pre-osteoblast cells. Copyright © 2020 American Chemical Society.
T2  - Langmuir
T1  - Tuning properties of cerium dioxide nanoparticles by surface modification with catecholate-type of ligands
VL  - 36
IS  - 33
SP  - 9738
EP  - 9746
DO  - 10.1021/acs.langmuir.0c01163
ER  - 

@article{
author = "Lazić, Vesna M. and Živković, Ljiljana and Sredojević, Dušan and Fernandes,  Margarida M. and Lanceros-Mendez,  Senentxu and Ahrenkiel, Scott Phillip and Nedeljković, Jovan",
year = "2020",
abstract = "Cerium dioxide (CeO2) finds applications in areas such as corrosion protection, solar cells, or catalysis, finding increasing applications in biomedicine. This work reports on surface-modified CeO2 particles in order to tune their applicability in the biomedical field. Stable aqueous CeO2 sol, consisting of 3-4 nm in size crystallites, was synthesized using forced hydrolysis. The coordination of catecholate-type of ligands (catechol, caffeic acid, tiron, and dopamine) to the surface-Ce atoms is followed with the appearance of absorption in the visible spectral range as a consequence of interfacial charge-transfer complex formation. The spectroscopic observations are complemented with the density functional theory calculations using a cluster model. The synthesized samples were characterized by X-ray diffraction analysis, transmission electron microscopy, and nitrogen adsorption-desorption isotherms. The ζ-potential measurements indicated that the stability of CeO2 sol is preserved upon surface modification. The pristine CeO2 nanoparticles (NPs) are nontoxic against pre-osteoblast cells in the entire studied concentration range (up to 1.5 mM). Hybrid CeO2 NPs, capped with dopamine or caffeic acid, display toxic behavior for concentrations ≥0.17 and 1.5 mM, respectively. On the other hand, surface-modified CeO2 NPs with catechol and tiron promote the proliferation of pre-osteoblast cells. Copyright © 2020 American Chemical Society.",
journal = "Langmuir",
title = "Tuning properties of cerium dioxide nanoparticles by surface modification with catecholate-type of ligands",
volume = "36",
number = "33",
pages = "9738-9746",
doi = "10.1021/acs.langmuir.0c01163"
}

Lazić, V. M., Živković, L., Sredojević, D., Fernandes, M. M., Lanceros-Mendez, S., Ahrenkiel, S. P.,& Nedeljković, J.. (2020). Tuning properties of cerium dioxide nanoparticles by surface modification with catecholate-type of ligands. in Langmuir, 36(33), 9738-9746.
https://doi.org/10.1021/acs.langmuir.0c01163

Lazić VM, Živković L, Sredojević D, Fernandes MM, Lanceros-Mendez S, Ahrenkiel SP, Nedeljković J. Tuning properties of cerium dioxide nanoparticles by surface modification with catecholate-type of ligands. in Langmuir. 2020;36(33):9738-9746.
doi:10.1021/acs.langmuir.0c01163 .

Lazić, Vesna M., Živković, Ljiljana, Sredojević, Dušan, Fernandes,  Margarida M., Lanceros-Mendez,  Senentxu, Ahrenkiel, Scott Phillip, Nedeljković, Jovan, "Tuning properties of cerium dioxide nanoparticles by surface modification with catecholate-type of ligands" in Langmuir, 36, no. 33 (2020):9738-9746,
https://doi.org/10.1021/acs.langmuir.0c01163 . .

TY  - JOUR
AU  - Đorđević, Vesna R.
AU  - Sredojević, Dušan
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Ahrenkiel, Scott Phillip
AU  - Švrakić, Nenad M.
AU  - Brothers, Edward N.
AU  - Belić, Milivoj R.
AU  - Nedeljković, Jovan
PY  - 2019
UR  - https://linkinghub.elsevier.com/retrieve/pii/S1387181118303639
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7763
AB  - Surface modification of Al2O3 powders, prepared using reproducible sol-gel synthetic route with small colorless organic molecules, induces charge transfer complex formation and the appearance of absorption in the visible spectral region. Comprehensive microstructural characterization involving transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms, revealed that γ-crystalline alumina powders consist of mesoporous particles in the size range from 0.1 to 0.3 μm, with specific surface area of 54.8 m2/g, and pore radius between 3 and 4 nm. The attachment of catecholate-type of ligands (catechol, caffeic acid, gallic acid, dopamine and 2,3-dihydroxy naphthalene), salicylate-type of ligands (salicylic acid and 5-amino salicylic acid), and ascorbic acid, to the surface such γ-Al2O3 particles leads to the formation of colored powders and activates their absorption in visible-light spectral region. To the best of our knowledge, similar transformation of an insulator (Al2O3), with the band gap energy of 8.7 eV, into a semiconductor-like hybrid material with tunable optical properties has not been reported in the literature before. The density functional theory (DFT) calculations with periodic boundary conditions were performed in order to estimate the energy gaps of various inorganic/organic hybrids. The calculated values compare well with the experimental data. The good agreement between the calculated and experimentally determined band gaps was found, thus demonstrating predictive ability of the theory when proper model is used.
T2  - Microporous and Mesoporous Materials
T1  - Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study
VL  - 273
SP  - 41
EP  - 49
DO  - 10.1016/j.micromeso.2018.06.053
ER  - 

@article{
author = "Đorđević, Vesna R. and Sredojević, Dušan and Dostanić, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Švrakić, Nenad M. and Brothers, Edward N. and Belić, Milivoj R. and Nedeljković, Jovan",
year = "2019",
abstract = "Surface modification of Al2O3 powders, prepared using reproducible sol-gel synthetic route with small colorless organic molecules, induces charge transfer complex formation and the appearance of absorption in the visible spectral region. Comprehensive microstructural characterization involving transmission electron microscopy, X-ray diffraction analysis, and nitrogen adsorption–desorption isotherms, revealed that γ-crystalline alumina powders consist of mesoporous particles in the size range from 0.1 to 0.3 μm, with specific surface area of 54.8 m2/g, and pore radius between 3 and 4 nm. The attachment of catecholate-type of ligands (catechol, caffeic acid, gallic acid, dopamine and 2,3-dihydroxy naphthalene), salicylate-type of ligands (salicylic acid and 5-amino salicylic acid), and ascorbic acid, to the surface such γ-Al2O3 particles leads to the formation of colored powders and activates their absorption in visible-light spectral region. To the best of our knowledge, similar transformation of an insulator (Al2O3), with the band gap energy of 8.7 eV, into a semiconductor-like hybrid material with tunable optical properties has not been reported in the literature before. The density functional theory (DFT) calculations with periodic boundary conditions were performed in order to estimate the energy gaps of various inorganic/organic hybrids. The calculated values compare well with the experimental data. The good agreement between the calculated and experimentally determined band gaps was found, thus demonstrating predictive ability of the theory when proper model is used.",
journal = "Microporous and Mesoporous Materials",
title = "Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study",
volume = "273",
pages = "41-49",
doi = "10.1016/j.micromeso.2018.06.053"
}

Đorđević, V. R., Sredojević, D., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Švrakić, N. M., Brothers, E. N., Belić, M. R.,& Nedeljković, J.. (2019). Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study. in Microporous and Mesoporous Materials, 273, 41-49.
https://doi.org/10.1016/j.micromeso.2018.06.053

Đorđević VR, Sredojević D, Dostanić J, Lončarević D, Ahrenkiel SP, Švrakić NM, Brothers EN, Belić MR, Nedeljković J. Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study. in Microporous and Mesoporous Materials. 2019;273:41-49.
doi:10.1016/j.micromeso.2018.06.053 .

Đorđević, Vesna R., Sredojević, Dušan, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Švrakić, Nenad M., Brothers, Edward N., Belić, Milivoj R., Nedeljković, Jovan, "Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study" in Microporous and Mesoporous Materials, 273 (2019):41-49,
https://doi.org/10.1016/j.micromeso.2018.06.053 . .

TY  - JOUR
AU  - Barbierikova, Zuzana
AU  - Dvoranova, Dana
AU  - Brezova, Vlasta
AU  - Džunuzović, Enis S.
AU  - Sredojević, Dušan
AU  - Lazić, Vesna M.
AU  - Nedeljković, Jovan
PY  - 2019
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0925346719300503
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8044
AB  - The visible-light-responsive inorganic-organic hybrid was prepared by surface modification of commercial TiO2 powder (Degussa P25) with 4-chlorophenol (4-CP). The optical absorption of the hybrid material is red-shifted compared to unmodified TiO2 powder due to the surface charge transfer complex (CTC) formation. The experimental results are supported by the density functional theory (DFT) calculations of the corresponding model cluster. The calculated electronic excitation spectrum is in agreement with the measured reflection spectrum of surface-modified TiO2 powder with 4-CP. The paramagnetic species, generated in the unmodified and surface-modified TiO2 powders upon excitation with ultraviolet and visible light, were identified using low-temperature electron paramagnetic resonance (EPR) spectroscopy. The formation of trapped electrons (Ti(III) centers) and the persistent oxygen-centered organic radicals indicated the photoinduced electron transfer from the chemisorbed 4-chlorophenol to the conduction band of TiO2. © 2019 Elsevier B.V.
T2  - Optical Materials
T1  - Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study
VL  - 89
SP  - 237
EP  - 242
DO  - 10.1016/j.optmat.2019.01.027
ER  - 

@article{
author = "Barbierikova, Zuzana and Dvoranova, Dana and Brezova, Vlasta and Džunuzović, Enis S. and Sredojević, Dušan and Lazić, Vesna M. and Nedeljković, Jovan",
year = "2019",
abstract = "The visible-light-responsive inorganic-organic hybrid was prepared by surface modification of commercial TiO2 powder (Degussa P25) with 4-chlorophenol (4-CP). The optical absorption of the hybrid material is red-shifted compared to unmodified TiO2 powder due to the surface charge transfer complex (CTC) formation. The experimental results are supported by the density functional theory (DFT) calculations of the corresponding model cluster. The calculated electronic excitation spectrum is in agreement with the measured reflection spectrum of surface-modified TiO2 powder with 4-CP. The paramagnetic species, generated in the unmodified and surface-modified TiO2 powders upon excitation with ultraviolet and visible light, were identified using low-temperature electron paramagnetic resonance (EPR) spectroscopy. The formation of trapped electrons (Ti(III) centers) and the persistent oxygen-centered organic radicals indicated the photoinduced electron transfer from the chemisorbed 4-chlorophenol to the conduction band of TiO2. © 2019 Elsevier B.V.",
journal = "Optical Materials",
title = "Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study",
volume = "89",
pages = "237-242",
doi = "10.1016/j.optmat.2019.01.027"
}

Barbierikova, Z., Dvoranova, D., Brezova, V., Džunuzović, E. S., Sredojević, D., Lazić, V. M.,& Nedeljković, J.. (2019). Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study. in Optical Materials, 89, 237-242.
https://doi.org/10.1016/j.optmat.2019.01.027

Barbierikova Z, Dvoranova D, Brezova V, Džunuzović ES, Sredojević D, Lazić VM, Nedeljković J. Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study. in Optical Materials. 2019;89:237-242.
doi:10.1016/j.optmat.2019.01.027 .

Barbierikova, Zuzana, Dvoranova, Dana, Brezova, Vlasta, Džunuzović, Enis S., Sredojević, Dušan, Lazić, Vesna M., Nedeljković, Jovan, "Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study" in Optical Materials, 89 (2019):237-242,
https://doi.org/10.1016/j.optmat.2019.01.027 . .

TY  - JOUR
AU  - Prekajski-Đorđević, Marija D.
AU  - Vukoje, Ivana D.
AU  - Lazić, Vesna M.
AU  - Đorđević, Vesna R.
AU  - Sredojević, Dušan
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Ahrenkiel, Scott Phillip
AU  - Belić, Milivoj R.
AU  - Nedeljković, Jovan
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8387
AB  - Surface modification of CeO2 nano-powder, synthesized by a self-propagating room temperature method with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4-dihydroxybenzoic acid, caffeic acid and 2,3-dihydroxy naphthalene), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. Thorough characterization involving transmission electron microscopy, XRD analysis, and nitrogen adsorption-desorption isotherms, revealed that loosely agglomerated CeO2 particles of the size ranging from 2 to 4 nm have cubic fluorite structure and specific surface area of 140 m2/g. The attachment of salicylate- and catecholate-type of ligands to the surface of CeO2 powders leads to the formation of colored powders with tunable absorption in the visible spectral region. The density functional theory calculations with properly design model systems were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data was found. © 2019
T2  - Materials Chemistry and Physics
T1  - Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study
VL  - 236
SP  - 121816
DO  - 10.1016/j.matchemphys.2019.121816
ER  - 

@article{
author = "Prekajski-Đorđević, Marija D. and Vukoje, Ivana D. and Lazić, Vesna M. and Đorđević, Vesna R. and Sredojević, Dušan and Dostanić, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Belić, Milivoj R. and Nedeljković, Jovan",
year = "2019",
abstract = "Surface modification of CeO2 nano-powder, synthesized by a self-propagating room temperature method with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4-dihydroxybenzoic acid, caffeic acid and 2,3-dihydroxy naphthalene), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. Thorough characterization involving transmission electron microscopy, XRD analysis, and nitrogen adsorption-desorption isotherms, revealed that loosely agglomerated CeO2 particles of the size ranging from 2 to 4 nm have cubic fluorite structure and specific surface area of 140 m2/g. The attachment of salicylate- and catecholate-type of ligands to the surface of CeO2 powders leads to the formation of colored powders with tunable absorption in the visible spectral region. The density functional theory calculations with properly design model systems were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data was found. © 2019",
journal = "Materials Chemistry and Physics",
title = "Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study",
volume = "236",
pages = "121816",
doi = "10.1016/j.matchemphys.2019.121816"
}

Prekajski-Đorđević, M. D., Vukoje, I. D., Lazić, V. M., Đorđević, V. R., Sredojević, D., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Belić, M. R.,& Nedeljković, J.. (2019). Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study. in Materials Chemistry and Physics, 236, 121816.
https://doi.org/10.1016/j.matchemphys.2019.121816

Prekajski-Đorđević MD, Vukoje ID, Lazić VM, Đorđević VR, Sredojević D, Dostanić J, Lončarević D, Ahrenkiel SP, Belić MR, Nedeljković J. Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study. in Materials Chemistry and Physics. 2019;236:121816.
doi:10.1016/j.matchemphys.2019.121816 .

Prekajski-Đorđević, Marija D., Vukoje, Ivana D., Lazić, Vesna M., Đorđević, Vesna R., Sredojević, Dušan, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Belić, Milivoj R., Nedeljković, Jovan, "Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study" in Materials Chemistry and Physics, 236 (2019):121816,
https://doi.org/10.1016/j.matchemphys.2019.121816 . .

TY  - JOUR
AU  - Miljković, Miona G.
AU  - Lazić, Vesna M.
AU  - Banjanac, Katarina
AU  - Davidović, Slađana Z.
AU  - Bezbradica, Dejan I.
AU  - Marinković, Aleksandar D.
AU  - Sredojević, Dušan
AU  - Nedeljković, Jovan
AU  - Dimitrijević-Branković, Suzana I.
PY  - 2018
UR  - http://linkinghub.elsevier.com/retrieve/pii/S0141813018302952
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7776
AB  - The TiO2 based hybrid supports with different functional groups (amino, glutaraldehyde or epoxy) were prepared and their influence on immobilization of dextransucrase (DS) was studied. Novel synthetic route for surface modification of TiO2 with amino and glutaraldehyde groups was developed taking advantage of charge transfer complex (CTC) formation between surface Ti atoms and salicylate-type of ligand (5 aminosalicylic acid (5-ASA)). The proposed coordination of 5-ASA to the surface of TiO2 powder and optical properties of CTC was presented. The pristine TiO2 and amino functionalized TiO2 have higher sorption capacity for DS (12.6 and 12.0 mg g(-1), respectively) compared to glutaraldehyde and epoxy activated supports (9.6 and 9.8 mg g(-1) respectively). However, immobilized enzyme to either glutaraldehyde or epoxy functionalized TiO2 have almost two times higher expressed activities compared to pristine TiO2 support (258, 235 and 142 IU g(-1), respectively). Thermal stability of enzyme immobilized on glutaraldehyde and epoxy functionalized supports was studied at 40 degrees C, as well as operational stability under long-run working conditions in repeated cycles. After five cycles, DS imobilized on glutaraldehyde activated support retained almost 70% of its initial expressed activity, while, after five cycles, performance of DS immobilized on epoxy activated support was significantly lower (15%).
T2  - International Journal of Biological Macromolecules
T1  - Immobilization of dextransucrase on functionalized TiO2 supports
VL  - 114
SP  - 1216
EP  - 1223
DO  - 10.1016/j.ijbiomac.2018.04.027
ER  - 

@article{
author = "Miljković, Miona G. and Lazić, Vesna M. and Banjanac, Katarina and Davidović, Slađana Z. and Bezbradica, Dejan I. and Marinković, Aleksandar D. and Sredojević, Dušan and Nedeljković, Jovan and Dimitrijević-Branković, Suzana I.",
year = "2018",
abstract = "The TiO2 based hybrid supports with different functional groups (amino, glutaraldehyde or epoxy) were prepared and their influence on immobilization of dextransucrase (DS) was studied. Novel synthetic route for surface modification of TiO2 with amino and glutaraldehyde groups was developed taking advantage of charge transfer complex (CTC) formation between surface Ti atoms and salicylate-type of ligand (5 aminosalicylic acid (5-ASA)). The proposed coordination of 5-ASA to the surface of TiO2 powder and optical properties of CTC was presented. The pristine TiO2 and amino functionalized TiO2 have higher sorption capacity for DS (12.6 and 12.0 mg g(-1), respectively) compared to glutaraldehyde and epoxy activated supports (9.6 and 9.8 mg g(-1) respectively). However, immobilized enzyme to either glutaraldehyde or epoxy functionalized TiO2 have almost two times higher expressed activities compared to pristine TiO2 support (258, 235 and 142 IU g(-1), respectively). Thermal stability of enzyme immobilized on glutaraldehyde and epoxy functionalized supports was studied at 40 degrees C, as well as operational stability under long-run working conditions in repeated cycles. After five cycles, DS imobilized on glutaraldehyde activated support retained almost 70% of its initial expressed activity, while, after five cycles, performance of DS immobilized on epoxy activated support was significantly lower (15%).",
journal = "International Journal of Biological Macromolecules",
title = "Immobilization of dextransucrase on functionalized TiO2 supports",
volume = "114",
pages = "1216-1223",
doi = "10.1016/j.ijbiomac.2018.04.027"
}

Miljković, M. G., Lazić, V. M., Banjanac, K., Davidović, S. Z., Bezbradica, D. I., Marinković, A. D., Sredojević, D., Nedeljković, J.,& Dimitrijević-Branković, S. I.. (2018). Immobilization of dextransucrase on functionalized TiO2 supports. in International Journal of Biological Macromolecules, 114, 1216-1223.
https://doi.org/10.1016/j.ijbiomac.2018.04.027

Miljković MG, Lazić VM, Banjanac K, Davidović SZ, Bezbradica DI, Marinković AD, Sredojević D, Nedeljković J, Dimitrijević-Branković SI. Immobilization of dextransucrase on functionalized TiO2 supports. in International Journal of Biological Macromolecules. 2018;114:1216-1223.
doi:10.1016/j.ijbiomac.2018.04.027 .

Miljković, Miona G., Lazić, Vesna M., Banjanac, Katarina, Davidović, Slađana Z., Bezbradica, Dejan I., Marinković, Aleksandar D., Sredojević, Dušan, Nedeljković, Jovan, Dimitrijević-Branković, Suzana I., "Immobilization of dextransucrase on functionalized TiO2 supports" in International Journal of Biological Macromolecules, 114 (2018):1216-1223,
https://doi.org/10.1016/j.ijbiomac.2018.04.027 . .

TY  - JOUR
AU  - Dekanski, Dragana
AU  - Spremo-Potparević, Biljana
AU  - Bajić, Vladan P.
AU  - Živković, Lada
AU  - Topalović, Dijana
AU  - Sredojević, Dušan
AU  - Lazić, Vesna M.
AU  - Nedeljković, Jovan
PY  - 2018
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0278691518301388
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7790
AB  - The acute toxicity of surface-modified TiO2 nanoparticles (NPs) with caffeic acid (CA) was compared with those of its separate constituents (free CA and bare TiO2 NPs) upon their oral administration in laboratory mice. Prior to in vivo experiments, the interfacial charge transfer (ICT) complex between surface Ti atoms and CA is thoroughly characterized. Composition and stability constants of ICT complex were determined using Job's method and Banesi-Hildebrand analysis, respectively. The experimental data were supported with quantum chemical calculations based on density functional theory (DFT). Acute toxicity signs, including biochemical alterations and extensive histopathological changes in the liver tissue of mice were detected 14 days after oral administration of bare TiO2 NPs. However, the clinical signs of toxicity, the fractional contribution of organs, biochemical parameters of liver and kidney function, and histopathological changes in liver upon treatment with surface-modified TiO2 NPs with CA were not observed. Also, the genotoxic potential of the ICT complex and its constituents were evaluated in leukocytes of whole blood cells in vivo by comet assay. Both, bare and surface-modified TiO2 NPs did not display DNA damaging effect in time frame of 24 h upon their oral administration in mice.
T2  - Food and Chemical Toxicology
T1  - Acute toxicity study in mice of orally administrated TiO 2 nanoparticles functionalized with caffeic acid
VL  - 115
SP  - 42
EP  - 48
DO  - 10.1016/j.fct.2018.02.064
ER  - 

@article{
author = "Dekanski, Dragana and Spremo-Potparević, Biljana and Bajić, Vladan P. and Živković, Lada and Topalović, Dijana and Sredojević, Dušan and Lazić, Vesna M. and Nedeljković, Jovan",
year = "2018",
abstract = "The acute toxicity of surface-modified TiO2 nanoparticles (NPs) with caffeic acid (CA) was compared with those of its separate constituents (free CA and bare TiO2 NPs) upon their oral administration in laboratory mice. Prior to in vivo experiments, the interfacial charge transfer (ICT) complex between surface Ti atoms and CA is thoroughly characterized. Composition and stability constants of ICT complex were determined using Job's method and Banesi-Hildebrand analysis, respectively. The experimental data were supported with quantum chemical calculations based on density functional theory (DFT). Acute toxicity signs, including biochemical alterations and extensive histopathological changes in the liver tissue of mice were detected 14 days after oral administration of bare TiO2 NPs. However, the clinical signs of toxicity, the fractional contribution of organs, biochemical parameters of liver and kidney function, and histopathological changes in liver upon treatment with surface-modified TiO2 NPs with CA were not observed. Also, the genotoxic potential of the ICT complex and its constituents were evaluated in leukocytes of whole blood cells in vivo by comet assay. Both, bare and surface-modified TiO2 NPs did not display DNA damaging effect in time frame of 24 h upon their oral administration in mice.",
journal = "Food and Chemical Toxicology",
title = "Acute toxicity study in mice of orally administrated TiO 2 nanoparticles functionalized with caffeic acid",
volume = "115",
pages = "42-48",
doi = "10.1016/j.fct.2018.02.064"
}

Dekanski, D., Spremo-Potparević, B., Bajić, V. P., Živković, L., Topalović, D., Sredojević, D., Lazić, V. M.,& Nedeljković, J.. (2018). Acute toxicity study in mice of orally administrated TiO 2 nanoparticles functionalized with caffeic acid. in Food and Chemical Toxicology, 115, 42-48.
https://doi.org/10.1016/j.fct.2018.02.064

Dekanski D, Spremo-Potparević B, Bajić VP, Živković L, Topalović D, Sredojević D, Lazić VM, Nedeljković J. Acute toxicity study in mice of orally administrated TiO 2 nanoparticles functionalized with caffeic acid. in Food and Chemical Toxicology. 2018;115:42-48.
doi:10.1016/j.fct.2018.02.064 .

Dekanski, Dragana, Spremo-Potparević, Biljana, Bajić, Vladan P., Živković, Lada, Topalović, Dijana, Sredojević, Dušan, Lazić, Vesna M., Nedeljković, Jovan, "Acute toxicity study in mice of orally administrated TiO 2 nanoparticles functionalized with caffeic acid" in Food and Chemical Toxicology, 115 (2018):42-48,
https://doi.org/10.1016/j.fct.2018.02.064 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Moncho, Salvador
AU  - Raju, Rajesh Kumar
AU  - Belić, Milivoj R.
AU  - Brothers, Edward N.
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7901
AB  - We performed density functional theory computations to study the structural and electronic properties as the basis of ethylene addition activity for [Ni(XC)4]n (X = Se, S)-extended lattices. We demonstrated that the mechanism of ethylene cycloaddition to a periodic [Ni(SeC)4]n two-dimensional (2D) network is analogous to that previously described for [Ni(SC)4]n 2D sheets and similar to the metal bis(dithiolene) molecular complexes [M(S2C2R2)2] (M = Ni, Pd, Pt, Co, Cu). These nanosheet materials avoid decomposition upon olefin addition, which is one of the main limitations of the molecular metal bis(dithiolene) complexes, as we find the decomposition processes to be thermodynamically unfavorable. Our calculations also suggest that the preferred conformation of the [Ni(SeC)4]n bilayer lattice is parallel displaced, with the Se atoms positioned above the Ni atoms, which is different from the eclipsed conformation found for [Ni(SC)4]n. We also managed to optimize an adduct of [Ni(SC)4]n in the bilayer form, which exceed the ethylene coverage of molecular complexes. We calculate that the preferred three-dimensional geometry of the stacked sheets is eclipsed because of strong van der Waals interactions. Such an arrangement of the sheets indicates that these materials should be highly porous, pointing to the high capacity for olefin bindings. Indeed, a few moderately stable ethylene adducts have been located. Owing to their unique structures and chemical reactivity, these newly predicted materials can be potentially developed as electrocatalysts for olefin purification. © 2018 American Chemical Society.
T2  - The Journal of Physical Chemistry C
T1  - Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework
VL  - 122
IS  - 39
SP  - 22424
EP  - 22434
DO  - 10.1021/acs.jpcc.8b05707
ER  - 

@article{
author = "Sredojević, Dušan and Moncho, Salvador and Raju, Rajesh Kumar and Belić, Milivoj R. and Brothers, Edward N.",
year = "2018",
abstract = "We performed density functional theory computations to study the structural and electronic properties as the basis of ethylene addition activity for [Ni(XC)4]n (X = Se, S)-extended lattices. We demonstrated that the mechanism of ethylene cycloaddition to a periodic [Ni(SeC)4]n two-dimensional (2D) network is analogous to that previously described for [Ni(SC)4]n 2D sheets and similar to the metal bis(dithiolene) molecular complexes [M(S2C2R2)2] (M = Ni, Pd, Pt, Co, Cu). These nanosheet materials avoid decomposition upon olefin addition, which is one of the main limitations of the molecular metal bis(dithiolene) complexes, as we find the decomposition processes to be thermodynamically unfavorable. Our calculations also suggest that the preferred conformation of the [Ni(SeC)4]n bilayer lattice is parallel displaced, with the Se atoms positioned above the Ni atoms, which is different from the eclipsed conformation found for [Ni(SC)4]n. We also managed to optimize an adduct of [Ni(SC)4]n in the bilayer form, which exceed the ethylene coverage of molecular complexes. We calculate that the preferred three-dimensional geometry of the stacked sheets is eclipsed because of strong van der Waals interactions. Such an arrangement of the sheets indicates that these materials should be highly porous, pointing to the high capacity for olefin bindings. Indeed, a few moderately stable ethylene adducts have been located. Owing to their unique structures and chemical reactivity, these newly predicted materials can be potentially developed as electrocatalysts for olefin purification. © 2018 American Chemical Society.",
journal = "The Journal of Physical Chemistry C",
title = "Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework",
volume = "122",
number = "39",
pages = "22424-22434",
doi = "10.1021/acs.jpcc.8b05707"
}

Sredojević, D., Moncho, S., Raju, R. K., Belić, M. R.,& Brothers, E. N.. (2018). Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework. in The Journal of Physical Chemistry C, 122(39), 22424-22434.
https://doi.org/10.1021/acs.jpcc.8b05707

Sredojević D, Moncho S, Raju RK, Belić MR, Brothers EN. Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework. in The Journal of Physical Chemistry C. 2018;122(39):22424-22434.
doi:10.1021/acs.jpcc.8b05707 .

Sredojević, Dušan, Moncho, Salvador, Raju, Rajesh Kumar, Belić, Milivoj R., Brothers, Edward N., "Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework" in The Journal of Physical Chemistry C, 122, no. 39 (2018):22424-22434,
https://doi.org/10.1021/acs.jpcc.8b05707 . .

TY  - DATA
AU  - Sredojević, Dušan
AU  - Moncho, Salvador
AU  - Raju, Rajesh Kumar
AU  - Belić, Milivoj R.
AU  - Brothers, Edward N.
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7902
UR  - https://figshare.com/articles/journal_contribution/Reversible_Olefin_Addition_to_Extended_Lattices_of_a_Nickel_Selenium_Framework/7123238
AB  - We performed density functional theory computations to study the structural and electronic properties as the basis of ethylene addition activity for [Ni(XC)4]n (X = Se, S)-extended lattices. We demonstrated that the mechanism of ethylene cycloaddition to a periodic [Ni(SeC)4]n two-dimensional (2D) network is analogous to that previously described for [Ni(SC)4]n 2D sheets and similar to the metal bis(dithiolene) molecular complexes [M(S2C2R2)2] (M = Ni, Pd, Pt, Co, Cu). These nanosheet materials avoid decomposition upon olefin addition, which is one of the main limitations of the molecular metal bis(dithiolene) complexes, as we find the decomposition processes to be thermodynamically unfavorable. Our calculations also suggest that the preferred conformation of the [Ni(SeC)4]n bilayer lattice is parallel displaced, with the Se atoms positioned above the Ni atoms, which is different from the eclipsed conformation found for [Ni(SC)4]n. We also managed to optimize an adduct of [Ni(SC)4]n in the bilayer form, which exceed the ethylene coverage of molecular complexes. We calculate that the preferred three-dimensional geometry of the stacked sheets is eclipsed because of strong van der Waals interactions. Such an arrangement of the sheets indicates that these materials should be highly porous, pointing to the high capacity for olefin bindings. Indeed, a few moderately stable ethylene adducts have been located. Owing to their unique structures and chemical reactivity, these newly predicted materials can be potentially developed as electrocatalysts for olefin purification. © 2018 American Chemical Society.
T2  - The Journal of Physical Chemistry C
T1  - Supporting information for: Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework
VL  - 122
IS  - 39
SP  - 22424
EP  - 22434
DO  - 10.1021/acs.jpcc.8b05707
ER  - 

@misc{
author = "Sredojević, Dušan and Moncho, Salvador and Raju, Rajesh Kumar and Belić, Milivoj R. and Brothers, Edward N.",
year = "2018",
abstract = "We performed density functional theory computations to study the structural and electronic properties as the basis of ethylene addition activity for [Ni(XC)4]n (X = Se, S)-extended lattices. We demonstrated that the mechanism of ethylene cycloaddition to a periodic [Ni(SeC)4]n two-dimensional (2D) network is analogous to that previously described for [Ni(SC)4]n 2D sheets and similar to the metal bis(dithiolene) molecular complexes [M(S2C2R2)2] (M = Ni, Pd, Pt, Co, Cu). These nanosheet materials avoid decomposition upon olefin addition, which is one of the main limitations of the molecular metal bis(dithiolene) complexes, as we find the decomposition processes to be thermodynamically unfavorable. Our calculations also suggest that the preferred conformation of the [Ni(SeC)4]n bilayer lattice is parallel displaced, with the Se atoms positioned above the Ni atoms, which is different from the eclipsed conformation found for [Ni(SC)4]n. We also managed to optimize an adduct of [Ni(SC)4]n in the bilayer form, which exceed the ethylene coverage of molecular complexes. We calculate that the preferred three-dimensional geometry of the stacked sheets is eclipsed because of strong van der Waals interactions. Such an arrangement of the sheets indicates that these materials should be highly porous, pointing to the high capacity for olefin bindings. Indeed, a few moderately stable ethylene adducts have been located. Owing to their unique structures and chemical reactivity, these newly predicted materials can be potentially developed as electrocatalysts for olefin purification. © 2018 American Chemical Society.",
journal = "The Journal of Physical Chemistry C",
title = "Supporting information for: Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework",
volume = "122",
number = "39",
pages = "22424-22434",
doi = "10.1021/acs.jpcc.8b05707"
}

Sredojević, D., Moncho, S., Raju, R. K., Belić, M. R.,& Brothers, E. N.. (2018). Supporting information for: Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework. in The Journal of Physical Chemistry C, 122(39), 22424-22434.
https://doi.org/10.1021/acs.jpcc.8b05707

Sredojević D, Moncho S, Raju RK, Belić MR, Brothers EN. Supporting information for: Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework. in The Journal of Physical Chemistry C. 2018;122(39):22424-22434.
doi:10.1021/acs.jpcc.8b05707 .

Sredojević, Dušan, Moncho, Salvador, Raju, Rajesh Kumar, Belić, Milivoj R., Brothers, Edward N., "Supporting information for: Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework" in The Journal of Physical Chemistry C, 122, no. 39 (2018):22424-22434,
https://doi.org/10.1021/acs.jpcc.8b05707 . .