Sredojević, Dušan

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Authority KeyName Variants
orcid::0000-0003-2867-2047
  • Sredojević, Dušan (20)
Projects
Materials of Reduced Dimensions for Efficient Light Harvesting and Energy conversion Qatar National Research Fund - NPRP grant (7-665-1-125)
Cell Cycle Aberrations and the Impact of Oxidative Stress in Neurodegenerative Processes and Malignant Transformation of the Cell Qatar National Research Fund - NPRP grant (5-318-1-063)
Bilateral project Portugese-Serbia [337-00-00227/2019-09/14] Modeling and Numerical Simulations of Complex Many-Body Systems
Synthesis and characterization of novel functional polymers and polymeric nanocomposites Noncovalent interactions of pi-systems and their role in molecular recognition
Application of biotechnological methods for sustainable exploitation of by-products of agro-industry Ministry of Education, Science and Technological Development of the Republic of Serbia
Ministry of Science of the Republic of Serbia [142037], Humboldt Foundation Portuguese Foundation for Science and Technology [SFRH/BPD/121464/2016]
Portuguese Foundation for Science and Technology [ UID/FIS/04650/2020] Programme for Funding Multilateral Scientific and Technological Cooperation Projects in the Danube Region (DS-2016-0016)
Qatar National Library Qatar National Research Fund [6-02-1-1005, 5-674-1-114]
Qatar National Research Fund [8-028-1-001] Qatar National Research Fund - NPRP grant (7-245-1-035)
Qatar National Research Fund through the NPRP [5-318-1-063] Qatar National Research Fund through the NPRP [8-028-1-001]
Slovak Research and Development Agency (No. DS-2016-0016)

Author's Bibliography

Tuning properties of cerium dioxide nanoparticles by surface modification with catecholate-type of ligands

Lazić, Vesna M.; Živković, Ljiljana; Sredojević, Dušan; Fernandes, Margarida M.; Lanceros-Mendez, Senentxu; Ahrenkiel, Scott Phillip; Nedeljković, Jovan

(2020)

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 . .
1
1
1
1

Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification

Sredojević, Dušan; Raju, Rajesh K; Moncho, Salvador; Belić, Milivoj R.; Brothers, Edward N.

(2020)

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 . .

Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study

Đorđević, Vesna R.; Sredojević, Dušan; Dostanić, Jasmina; Lončarević, Davor; Ahrenkiel, Scott Phillip; Švrakić, Nenad M.; Brothers, Edward N.; Belić, Milivoj R.; Nedeljković, Jovan

(2019)

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 . .
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8
8

Visible-light-responsive surface-modified TiO2 powder with 4-chlorophenol: A combined experimental and DFT study

Barbierikova, Zuzana; Dvoranova, Dana; Brezova, Vlasta; Džunuzović, Enis S.; Sredojević, Dušan; Lazić, Vesna M.; Nedeljković, Jovan

(2019)

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 . .
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11
10

Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study

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

(2019)

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 . .
3
1
3

Immobilization of dextransucrase on functionalized TiO2 supports

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.

(2018)

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 . .
12
12
12

Acute toxicity study in mice of orally administrated TiO 2 nanoparticles functionalized with caffeic acid

Dekanski, Dragana; Spremo-Potparević, Biljana; Bajić, Vladan P.; Živković, Lada; Topalović, Dijana; Sredojević, Dušan; Lazić, Vesna M.; Nedeljković, Jovan

(2018)

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 . .
15
16
17

Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B6: A comparative experimental and DFT study

Kovač, Tijana S.; Džunuzović, Enis S.; Džunuzović, Jasna V.; Milićević, Bojana R.; Sredojević, Dušan; Brothers, Edward N.; Nedeljković, Jovan

(2018)

TY  - JOUR
AU  - Kovač, Tijana S.
AU  - Džunuzović, Enis S.
AU  - Džunuzović, Jasna V.
AU  - Milićević, Bojana R.
AU  - Sredojević, Dušan
AU  - Brothers, Edward N.
AU  - Nedeljković, Jovan
PY  - 2018
UR  - http://www.doiserbia.nb.rs/Article.aspx?ID=0352-51391800044K
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7934
AB  - Surface modification of titanium dioxide nanoparticles (TiO2 NPs) with the biologically active molecule pyridoxine hydrochloride (vitamin B-6) was found to alter the optical properties. Microstructural characterization involving transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis revealed that the anatase TiO2 NPs had a narrow size distribution with an average diameter of 45 angstrom. The absorption onset of the surface-modified TiO2 samples was red-shifted by about 0.4 eV compared to the unmodified particles. The mode of binding between vitamin B-6 and the surface Ti atoms was investigated by Fourier transform infrared spectroscopy (FTIR). From the Benesi-Hildebrand plot, the stability constant of the surface complex was found to be of the order 10(2) M-1. The experimental findings were supported by detailed quantum chemical calculations based on the density functional theory (DFT). Agreement was found between the experimentally measured absorption spectra of the TiO2 NPs surface-modified with vitamin B-6 and the theoretically calculated electronic excitation spectra of the corresponding model system.
T2  - Journal of the Serbian Chemical Society
T1  - Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B6: A comparative experimental and DFT study
VL  - 83
IS  - 7-8
SP  - 899
EP  - 909
DO  - 10.2298/JSC180131044K
ER  - 
@article{
author = "Kovač, Tijana S. and Džunuzović, Enis S. and Džunuzović, Jasna V. and Milićević, Bojana R. and Sredojević, Dušan and Brothers, Edward N. and Nedeljković, Jovan",
year = "2018",
abstract = "Surface modification of titanium dioxide nanoparticles (TiO2 NPs) with the biologically active molecule pyridoxine hydrochloride (vitamin B-6) was found to alter the optical properties. Microstructural characterization involving transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis revealed that the anatase TiO2 NPs had a narrow size distribution with an average diameter of 45 angstrom. The absorption onset of the surface-modified TiO2 samples was red-shifted by about 0.4 eV compared to the unmodified particles. The mode of binding between vitamin B-6 and the surface Ti atoms was investigated by Fourier transform infrared spectroscopy (FTIR). From the Benesi-Hildebrand plot, the stability constant of the surface complex was found to be of the order 10(2) M-1. The experimental findings were supported by detailed quantum chemical calculations based on the density functional theory (DFT). Agreement was found between the experimentally measured absorption spectra of the TiO2 NPs surface-modified with vitamin B-6 and the theoretically calculated electronic excitation spectra of the corresponding model system.",
journal = "Journal of the Serbian Chemical Society",
title = "Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B6: A comparative experimental and DFT study",
volume = "83",
number = "7-8",
pages = "899-909",
doi = "10.2298/JSC180131044K"
}
Kovač, T. S., Džunuzović, E. S., Džunuzović, J. V., Milićević, B. R., Sredojević, D., Brothers, E. N.,& Nedeljković, J.. (2018). Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B6: A comparative experimental and DFT study. in Journal of the Serbian Chemical Society, 83(7-8), 899-909.
https://doi.org/10.2298/JSC180131044K
Kovač TS, Džunuzović ES, Džunuzović JV, Milićević BR, Sredojević D, Brothers EN, Nedeljković J. Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B6: A comparative experimental and DFT study. in Journal of the Serbian Chemical Society. 2018;83(7-8):899-909.
doi:10.2298/JSC180131044K .
Kovač, Tijana S., Džunuzović, Enis S., Džunuzović, Jasna V., Milićević, Bojana R., Sredojević, Dušan, Brothers, Edward N., Nedeljković, Jovan, "Visible light absorption of TiO2 nanoparticles surface-modified with vitamin B6: A comparative experimental and DFT study" in Journal of the Serbian Chemical Society, 83, no. 7-8 (2018):899-909,
https://doi.org/10.2298/JSC180131044K . .
2
2
2

Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework

Sredojević, Dušan; Moncho, Salvador; Raju, Rajesh Kumar; Belić, Milivoj R.; Brothers, Edward N.

(2018)

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 . .
1
1
1

Supporting information for: Reversible Olefin Addition to Extended Lattices of a Nickel–Selenium Framework

Sredojević, Dušan; Moncho, Salvador; Raju, Rajesh Kumar; Belić, Milivoj R.; Brothers, Edward N.

(2018)

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 . .
1
1
1

Surface-modified TiO2 nanoparticles with ascorbic acid: Antioxidant properties and efficiency against DNA damage in vitro

Bajić, Vladan P.; Spremo-Potparević, Biljana; Živković, Lada; Cabarkapa, Andrea; Kotur-Stevuljevic, Jelena; Isenović, Esma R.; Sredojević, Dušan; Vukoje, Ivana D.; Lazić, Vesna M.; Ahrenkiel, Scott Phillip; Nedeljković, Jovan

(2017)

TY  - JOUR
AU  - Bajić, Vladan P.
AU  - Spremo-Potparević, Biljana
AU  - Živković, Lada
AU  - Cabarkapa, Andrea
AU  - Kotur-Stevuljevic, Jelena
AU  - Isenović, Esma R.
AU  - Sredojević, Dušan
AU  - Vukoje, Ivana D.
AU  - Lazić, Vesna M.
AU  - Ahrenkiel, Scott Phillip
AU  - Nedeljković, Jovan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1607
AB  - The antigenotoxic and antioxidative properties of surface-modified TiO2 nanoparticles (NPs) with ascorbic acid (AA) were compared with those of constituents (free AA and bare TiO2 NPs). Colloids consisting of the TiO2 NPs with anatase crystal structure were prepared by acidic hydrolysis of TiCl4. The synthesized TiO2 NPs were characterized using transmission electron microscopy and X-ray diffraction analysis. The charge transfer (CT) complex formation between surface Ti atoms and AA is indicated by immediate appearance of red color. Composition and stability constants of CT complex were determined using Jobs method and Banesi-Hildebrand analysis, respectively. The surface structure of CT complex was determined from infra-red spectra of free and bound AA to the surface Ti atoms. The experimental data were supported with quantum chemical calculations based on density functional theory (DFT). The antigenotoxic potential of CT complex was evaluated in leukocytes of whole blood cells in vitro by comet assay method. For evaluation of antioxidant properties, total antioxidant status (TAS) and total oxidant status (TOS) were determined in human serum pool in vitro. The presented results indicate that bare TiO2 NPs have more pronounced antigenotoxic effects in comparison with either surface-modified TiO2 NPs with AA or free AA. No significant differences between the antigenotoxic and antioxidative properties of free and bound AA on the TiO2 NPs were noticed in the investigated concentration range. It seems that surface-modified TiO2 NPs with AA and/or similar compounds can be used to maintain its beneficial activities. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Colloids and Surfaces. B: Biointerfaces
T1  - Surface-modified TiO2 nanoparticles with ascorbic acid: Antioxidant properties and efficiency against DNA damage in vitro
VL  - 155
SP  - 323
EP  - 331
DO  - 10.1016/j.colsurfb.2017.04.032
ER  - 
@article{
author = "Bajić, Vladan P. and Spremo-Potparević, Biljana and Živković, Lada and Cabarkapa, Andrea and Kotur-Stevuljevic, Jelena and Isenović, Esma R. and Sredojević, Dušan and Vukoje, Ivana D. and Lazić, Vesna M. and Ahrenkiel, Scott Phillip and Nedeljković, Jovan",
year = "2017",
abstract = "The antigenotoxic and antioxidative properties of surface-modified TiO2 nanoparticles (NPs) with ascorbic acid (AA) were compared with those of constituents (free AA and bare TiO2 NPs). Colloids consisting of the TiO2 NPs with anatase crystal structure were prepared by acidic hydrolysis of TiCl4. The synthesized TiO2 NPs were characterized using transmission electron microscopy and X-ray diffraction analysis. The charge transfer (CT) complex formation between surface Ti atoms and AA is indicated by immediate appearance of red color. Composition and stability constants of CT complex were determined using Jobs method and Banesi-Hildebrand analysis, respectively. The surface structure of CT complex was determined from infra-red spectra of free and bound AA to the surface Ti atoms. The experimental data were supported with quantum chemical calculations based on density functional theory (DFT). The antigenotoxic potential of CT complex was evaluated in leukocytes of whole blood cells in vitro by comet assay method. For evaluation of antioxidant properties, total antioxidant status (TAS) and total oxidant status (TOS) were determined in human serum pool in vitro. The presented results indicate that bare TiO2 NPs have more pronounced antigenotoxic effects in comparison with either surface-modified TiO2 NPs with AA or free AA. No significant differences between the antigenotoxic and antioxidative properties of free and bound AA on the TiO2 NPs were noticed in the investigated concentration range. It seems that surface-modified TiO2 NPs with AA and/or similar compounds can be used to maintain its beneficial activities. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Colloids and Surfaces. B: Biointerfaces",
title = "Surface-modified TiO2 nanoparticles with ascorbic acid: Antioxidant properties and efficiency against DNA damage in vitro",
volume = "155",
pages = "323-331",
doi = "10.1016/j.colsurfb.2017.04.032"
}
Bajić, V. P., Spremo-Potparević, B., Živković, L., Cabarkapa, A., Kotur-Stevuljevic, J., Isenović, E. R., Sredojević, D., Vukoje, I. D., Lazić, V. M., Ahrenkiel, S. P.,& Nedeljković, J.. (2017). Surface-modified TiO2 nanoparticles with ascorbic acid: Antioxidant properties and efficiency against DNA damage in vitro. in Colloids and Surfaces. B: Biointerfaces, 155, 323-331.
https://doi.org/10.1016/j.colsurfb.2017.04.032
Bajić VP, Spremo-Potparević B, Živković L, Cabarkapa A, Kotur-Stevuljevic J, Isenović ER, Sredojević D, Vukoje ID, Lazić VM, Ahrenkiel SP, Nedeljković J. Surface-modified TiO2 nanoparticles with ascorbic acid: Antioxidant properties and efficiency against DNA damage in vitro. in Colloids and Surfaces. B: Biointerfaces. 2017;155:323-331.
doi:10.1016/j.colsurfb.2017.04.032 .
Bajić, Vladan P., Spremo-Potparević, Biljana, Živković, Lada, Cabarkapa, Andrea, Kotur-Stevuljevic, Jelena, Isenović, Esma R., Sredojević, Dušan, Vukoje, Ivana D., Lazić, Vesna M., Ahrenkiel, Scott Phillip, Nedeljković, Jovan, "Surface-modified TiO2 nanoparticles with ascorbic acid: Antioxidant properties and efficiency against DNA damage in vitro" in Colloids and Surfaces. B: Biointerfaces, 155 (2017):323-331,
https://doi.org/10.1016/j.colsurfb.2017.04.032 . .
18
18
19

Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study

Milićević, Bojana R.; Đorđević, Vesna R.; Lončarević, Davor; Dostanic, Jasmina M.; Ahrenkiel, Scott Phillip; Dramićanin, Miroslav; Sredojević, Dušan; Švrakić, Nenad M.; Nedeljković, Jovan

(2017)

TY  - JOUR
AU  - Milićević, Bojana R.
AU  - Đorđević, Vesna R.
AU  - Lončarević, Davor
AU  - Dostanic, Jasmina M.
AU  - Ahrenkiel, Scott Phillip
AU  - Dramićanin, Miroslav
AU  - Sredojević, Dušan
AU  - Švrakić, Nenad M.
AU  - Nedeljković, Jovan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1815
AB  - Under normal conditions, titanium dioxide does not absorb visible light photons due to large band gap. Nevertheless, when titanium dioxide nanoparticles (TiO2 NPs) are surface-modified with thiosalicylic acid (TSA), their optical properties are altered owing to the formation of charge transfer complex that initiates absorption in the visible spectral range. Colloidal and sol-gel techniques were used to synthesize uniform TiO2 NPs of different sizes (average diameters in the range 4-15 nm), and effects of their subsequent modification by TSA molecules were compared with effect of modification of commercial Degussa TiO2 powder. Thorough microstructural characterization of TiO2 nanoparticulates was performed including transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis, as well as nitrogen adsorption-desorption isotherms. Optical measurements revealed that all surface-modified TiO2 samples with TSA have similar spectral features independent of their morphological differences, and, more importantly, absorption onset of modified TiO2 samples was found to be red-shifted by 1.0 eV compared to the unmodified ones. The mode of binding between TSA and surface Ti atoms was analyzed by infrared spectroscopy. Finally, the quantum chemical calculations, based on density functional theory, were performed to support optical characterization of surface-modified TiO2 with TSA. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Optical Materials
T1  - Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study
VL  - 73
SP  - 163
EP  - 171
DO  - 10.1016/j.optmat.2017.08.011
ER  - 
@article{
author = "Milićević, Bojana R. and Đorđević, Vesna R. and Lončarević, Davor and Dostanic, Jasmina M. and Ahrenkiel, Scott Phillip and Dramićanin, Miroslav and Sredojević, Dušan and Švrakić, Nenad M. and Nedeljković, Jovan",
year = "2017",
abstract = "Under normal conditions, titanium dioxide does not absorb visible light photons due to large band gap. Nevertheless, when titanium dioxide nanoparticles (TiO2 NPs) are surface-modified with thiosalicylic acid (TSA), their optical properties are altered owing to the formation of charge transfer complex that initiates absorption in the visible spectral range. Colloidal and sol-gel techniques were used to synthesize uniform TiO2 NPs of different sizes (average diameters in the range 4-15 nm), and effects of their subsequent modification by TSA molecules were compared with effect of modification of commercial Degussa TiO2 powder. Thorough microstructural characterization of TiO2 nanoparticulates was performed including transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis, as well as nitrogen adsorption-desorption isotherms. Optical measurements revealed that all surface-modified TiO2 samples with TSA have similar spectral features independent of their morphological differences, and, more importantly, absorption onset of modified TiO2 samples was found to be red-shifted by 1.0 eV compared to the unmodified ones. The mode of binding between TSA and surface Ti atoms was analyzed by infrared spectroscopy. Finally, the quantum chemical calculations, based on density functional theory, were performed to support optical characterization of surface-modified TiO2 with TSA. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Optical Materials",
title = "Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study",
volume = "73",
pages = "163-171",
doi = "10.1016/j.optmat.2017.08.011"
}
Milićević, B. R., Đorđević, V. R., Lončarević, D., Dostanic, J. M., Ahrenkiel, S. P., Dramićanin, M., Sredojević, D., Švrakić, N. M.,& Nedeljković, J.. (2017). Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study. in Optical Materials, 73, 163-171.
https://doi.org/10.1016/j.optmat.2017.08.011
Milićević BR, Đorđević VR, Lončarević D, Dostanic JM, Ahrenkiel SP, Dramićanin M, Sredojević D, Švrakić NM, Nedeljković J. Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study. in Optical Materials. 2017;73:163-171.
doi:10.1016/j.optmat.2017.08.011 .
Milićević, Bojana R., Đorđević, Vesna R., Lončarević, Davor, Dostanic, Jasmina M., Ahrenkiel, Scott Phillip, Dramićanin, Miroslav, Sredojević, Dušan, Švrakić, Nenad M., Nedeljković, Jovan, "Charge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT study" in Optical Materials, 73 (2017):163-171,
https://doi.org/10.1016/j.optmat.2017.08.011 . .
7
7
8

Hybrid visible-light responsive Al2O3 particles

Đorđević, Vesna R.; Dostanic, Jasmina; Lončarević, Davor; Ahrenkiel, Scott Phillip; Sredojević, Dušan; Švrakić, Nenad M.; Belić, Milivoj R.; Nedeljković, Jovan

(2017)

TY  - JOUR
AU  - Đorđević, Vesna R.
AU  - Dostanic, Jasmina
AU  - Lončarević, Davor
AU  - Ahrenkiel, Scott Phillip
AU  - Sredojević, Dušan
AU  - Švrakić, Nenad M.
AU  - Belić, Milivoj R.
AU  - Nedeljković, Jovan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1723
AB  - Detailed study of Al2O3, an insulator with the band gap of about 8.7 eV, and its different organic/inorganic charge transfer complexes with visible-light photo activity is presented. In particular, prepared Al2O3 particles of the size 0.1-0.3 mu m are coated with several organic complexes - the specific details for catecholate- and salicylate-type of ligands are described below - and the light absorption properties and photocatalytic activity of such hybrids are scrutinized and compared with those of other organic/inorganic hybrid materials previously studied. In addition, the obtained experimental results are supported with quantum chemical calculations based on density functional theory. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Chemical Physics Letters
T1  - Hybrid visible-light responsive Al2O3 particles
VL  - 685
SP  - 416
EP  - 421
DO  - 10.1016/j.cplett.2017.08.012
ER  - 
@article{
author = "Đorđević, Vesna R. and Dostanic, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Sredojević, Dušan and Švrakić, Nenad M. and Belić, Milivoj R. and Nedeljković, Jovan",
year = "2017",
abstract = "Detailed study of Al2O3, an insulator with the band gap of about 8.7 eV, and its different organic/inorganic charge transfer complexes with visible-light photo activity is presented. In particular, prepared Al2O3 particles of the size 0.1-0.3 mu m are coated with several organic complexes - the specific details for catecholate- and salicylate-type of ligands are described below - and the light absorption properties and photocatalytic activity of such hybrids are scrutinized and compared with those of other organic/inorganic hybrid materials previously studied. In addition, the obtained experimental results are supported with quantum chemical calculations based on density functional theory. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Chemical Physics Letters",
title = "Hybrid visible-light responsive Al2O3 particles",
volume = "685",
pages = "416-421",
doi = "10.1016/j.cplett.2017.08.012"
}
Đorđević, V. R., Dostanic, J., Lončarević, D., Ahrenkiel, S. P., Sredojević, D., Švrakić, N. M., Belić, M. R.,& Nedeljković, J.. (2017). Hybrid visible-light responsive Al2O3 particles. in Chemical Physics Letters, 685, 416-421.
https://doi.org/10.1016/j.cplett.2017.08.012
Đorđević VR, Dostanic J, Lončarević D, Ahrenkiel SP, Sredojević D, Švrakić NM, Belić MR, Nedeljković J. Hybrid visible-light responsive Al2O3 particles. in Chemical Physics Letters. 2017;685:416-421.
doi:10.1016/j.cplett.2017.08.012 .
Đorđević, Vesna R., Dostanic, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Sredojević, Dušan, Švrakić, Nenad M., Belić, Milivoj R., Nedeljković, Jovan, "Hybrid visible-light responsive Al2O3 particles" in Chemical Physics Letters, 685 (2017):416-421,
https://doi.org/10.1016/j.cplett.2017.08.012 . .
10
8
9

Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study

Sredojević, Dušan; Kovač, Tijana S.; Džunuzović, Enis S.; Đorđević, Vesna R.; Grgur, Branimir N.; Nedeljković, Jovan

(2017)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Kovač, Tijana S.
AU  - Džunuzović, Enis S.
AU  - Đorđević, Vesna R.
AU  - Grgur, Branimir N.
AU  - Nedeljković, Jovan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1724
AB  - The charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Chemical Physics Letters
T1  - Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study
VL  - 686
SP  - 167
EP  - 172
DO  - 10.1016/j.cplett.2017.08.023
ER  - 
@article{
author = "Sredojević, Dušan and Kovač, Tijana S. and Džunuzović, Enis S. and Đorđević, Vesna R. and Grgur, Branimir N. and Nedeljković, Jovan",
year = "2017",
abstract = "The charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Chemical Physics Letters",
title = "Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study",
volume = "686",
pages = "167-172",
doi = "10.1016/j.cplett.2017.08.023"
}
Sredojević, D., Kovač, T. S., Džunuzović, E. S., Đorđević, V. R., Grgur, B. N.,& Nedeljković, J.. (2017). Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study. in Chemical Physics Letters, 686, 167-172.
https://doi.org/10.1016/j.cplett.2017.08.023
Sredojević D, Kovač TS, Džunuzović ES, Đorđević VR, Grgur BN, Nedeljković J. Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study. in Chemical Physics Letters. 2017;686:167-172.
doi:10.1016/j.cplett.2017.08.023 .
Sredojević, Dušan, Kovač, Tijana S., Džunuzović, Enis S., Đorđević, Vesna R., Grgur, Branimir N., Nedeljković, Jovan, "Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study" in Chemical Physics Letters, 686 (2017):167-172,
https://doi.org/10.1016/j.cplett.2017.08.023 . .
16
14
18

Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings

Sredojević, Dušan; Vojislavljevic, Dubravka Z.; Tomić, Zoran D.; Zarić, Snežana D.

(2012)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Vojislavljevic, Dubravka Z.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4856
AB  - Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.
T2  - Acta Crystallographica. Section B: Structural Science
T1  - Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings
VL  - 68
SP  - 261
EP  - 265
DO  - 10.1107/S0108768112012281
ER  - 
@article{
author = "Sredojević, Dušan and Vojislavljevic, Dubravka Z. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2012",
abstract = "Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.",
journal = "Acta Crystallographica. Section B: Structural Science",
title = "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings",
volume = "68",
pages = "261-265",
doi = "10.1107/S0108768112012281"
}
Sredojević, D., Vojislavljevic, D. Z., Tomić, Z. D.,& Zarić, S. D.. (2012). Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science, 68, 261-265.
https://doi.org/10.1107/S0108768112012281
Sredojević D, Vojislavljevic DZ, Tomić ZD, Zarić SD. Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science. 2012;68:261-265.
doi:10.1107/S0108768112012281 .
Sredojević, Dušan, Vojislavljevic, Dubravka Z., Tomić, Zoran D., Zarić, Snežana D., "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings" in Acta Crystallographica. Section B: Structural Science, 68 (2012):261-265,
https://doi.org/10.1107/S0108768112012281 . .
1
21
21
22

Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes

Sredojević, Dušan; Tomić, Zoran D.; Zarić, Snežana D.

(2010)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4091
AB  - Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.
T2  - Crystal Growth and Design
T1  - Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes
VL  - 10
IS  - 9
SP  - 3901
EP  - 3908
DO  - 10.1021/cg100312r
ER  - 
@article{
author = "Sredojević, Dušan and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2010",
abstract = "Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.",
journal = "Crystal Growth and Design",
title = "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes",
volume = "10",
number = "9",
pages = "3901-3908",
doi = "10.1021/cg100312r"
}
Sredojević, D., Tomić, Z. D.,& Zarić, S. D.. (2010). Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design, 10(9), 3901-3908.
https://doi.org/10.1021/cg100312r
Sredojević D, Tomić ZD, Zarić SD. Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design. 2010;10(9):3901-3908.
doi:10.1021/cg100312r .
Sredojević, Dušan, Tomić, Zoran D., Zarić, Snežana D., "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes" in Crystal Growth and Design, 10, no. 9 (2010):3901-3908,
https://doi.org/10.1021/cg100312r . .
79
81
83

Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes

Sredojević, Dušan; Bogdanović, Goran A.; Tomić, Zoran D.; Zarić, Snežana D.

(2007)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Bogdanović, Goran A.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3272
AB  - The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.
T2  - CrystEngComm
T1  - Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes
VL  - 9
IS  - 9
SP  - 793
EP  - 798
DO  - 10.1039/b704302c
ER  - 
@article{
author = "Sredojević, Dušan and Bogdanović, Goran A. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.",
journal = "CrystEngComm",
title = "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes",
volume = "9",
number = "9",
pages = "793-798",
doi = "10.1039/b704302c"
}
Sredojević, D., Bogdanović, G. A., Tomić, Z. D.,& Zarić, S. D.. (2007). Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm, 9(9), 793-798.
https://doi.org/10.1039/b704302c
Sredojević D, Bogdanović GA, Tomić ZD, Zarić SD. Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm. 2007;9(9):793-798.
doi:10.1039/b704302c .
Sredojević, Dušan, Bogdanović, Goran A., Tomić, Zoran D., Zarić, Snežana D., "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes" in CrystEngComm, 9, no. 9 (2007):793-798,
https://doi.org/10.1039/b704302c . .
60
58
62

Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes

Sredojević, Dušan; Tomić, Zoran D.; Zarić, Snežana D.

(2007)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3147
AB  - In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.
T2  - Central European Journal of Chemistry
T1  - Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes
VL  - 5
IS  - 1
SP  - 20
EP  - 31
DO  - 10.2478/s11532-006-0068-3
ER  - 
@article{
author = "Sredojević, Dušan and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.",
journal = "Central European Journal of Chemistry",
title = "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes",
volume = "5",
number = "1",
pages = "20-31",
doi = "10.2478/s11532-006-0068-3"
}
Sredojević, D., Tomić, Z. D.,& Zarić, S. D.. (2007). Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry, 5(1), 20-31.
https://doi.org/10.2478/s11532-006-0068-3
Sredojević D, Tomić ZD, Zarić SD. Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry. 2007;5(1):20-31.
doi:10.2478/s11532-006-0068-3 .
Sredojević, Dušan, Tomić, Zoran D., Zarić, Snežana D., "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes" in Central European Journal of Chemistry, 5, no. 1 (2007):20-31,
https://doi.org/10.2478/s11532-006-0068-3 . .
21
23
24

Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes

Tomić, Zoran D.; Sredojević, Dušan; Zarić, Snežana D.

(2006)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Sredojević, Dušan
AU  - Zarić, Snežana D.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2565
AB  - Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.
T2  - Crystal Growth and Design
T1  - Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes
VL  - 6
IS  - 1
SP  - 29
EP  - 31
DO  - 10.1021/cg050392r
ER  - 
@article{
author = "Tomić, Zoran D. and Sredojević, Dušan and Zarić, Snežana D.",
year = "2006",
abstract = "Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.",
journal = "Crystal Growth and Design",
title = "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes",
volume = "6",
number = "1",
pages = "29-31",
doi = "10.1021/cg050392r"
}
Tomić, Z. D., Sredojević, D.,& Zarić, S. D.. (2006). Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design, 6(1), 29-31.
https://doi.org/10.1021/cg050392r
Tomić ZD, Sredojević D, Zarić SD. Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design. 2006;6(1):29-31.
doi:10.1021/cg050392r .
Tomić, Zoran D., Sredojević, Dušan, Zarić, Snežana D., "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes" in Crystal Growth and Design, 6, no. 1 (2006):29-31,
https://doi.org/10.1021/cg050392r . .
79
80
80

Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd

Sredojević, Dušan; Tomić, Zoran D.; Zarić, Snežana D.

(Society of Physical Chemists of Serbia, 2006)

TY  - CONF
AU  - Sredojević, Dušan
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9471
AB  - Previous analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized -bonds. To investigate whether the type of metal atom influence this interaction we compare stacking parameters for the complexes with and without chelate rings in the complexes containing Cu(II), Ni(II), Pd(II) and Pt(II) metals. While the overall picture is similar for all four cases, complexes of Pd and Pt without chelate ring show tendency to form shorter contacts towards aromatic carbon. It was found that this behaviour is associated with the presence of cyano or isocyano derivatives as ligands.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
T1  - Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd
SP  - 692
EP  - 694
ER  - 
@conference{
author = "Sredojević, Dušan and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2006",
abstract = "Previous analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized -bonds. To investigate whether the type of metal atom influence this interaction we compare stacking parameters for the complexes with and without chelate rings in the complexes containing Cu(II), Ni(II), Pd(II) and Pt(II) metals. While the overall picture is similar for all four cases, complexes of Pd and Pt without chelate ring show tendency to form shorter contacts towards aromatic carbon. It was found that this behaviour is associated with the presence of cyano or isocyano derivatives as ligands.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry",
title = "Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd",
pages = "692-694"
}
Sredojević, D., Tomić, Z. D.,& Zarić, S. D.. (2006). Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
Society of Physical Chemists of Serbia., 692-694.
Sredojević D, Tomić ZD, Zarić SD. Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry. 2006;:692-694..
Sredojević, Dušan, Tomić, Zoran D., Zarić, Snežana D., "Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd" in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry (2006):692-694.