Begović, Nebojša N.

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  • Begović, Nebojša N. (6)
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Author's Bibliography

Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex

Begović, Nebojša N.; Vasić, Milica M.; Blagojević, Vladimir A.; Filipović, Nenad R.; Marinković, Aleksandar D.; Malešević, Aleksandar; Minić, Dragica M.

(Springer Netherlands, 2017)

TY  - JOUR
AU  - Begović, Nebojša N.
AU  - Vasić, Milica M.
AU  - Blagojević, Vladimir A.
AU  - Filipović, Nenad R.
AU  - Marinković, Aleksandar D.
AU  - Malešević, Aleksandar
AU  - Minić, Dragica M.
PY  - 2017
UR  - http://dais.sanu.ac.rs/123456789/16012
AB  - The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C–O bond and changes in hydrogen interactions of its –OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism.
PB  - Springer Netherlands
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex
SP  - 701
EP  - 711
VL  - 130
IS  - 2
DO  - 10.1007/s10973-017-6458-2
ER  - 
@article{
author = "Begović, Nebojša N. and Vasić, Milica M. and Blagojević, Vladimir A. and Filipović, Nenad R. and Marinković, Aleksandar D. and Malešević, Aleksandar and Minić, Dragica M.",
year = "2017",
url = "http://dais.sanu.ac.rs/123456789/16012",
abstract = "The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C–O bond and changes in hydrogen interactions of its –OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism.",
publisher = "Springer Netherlands",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex",
pages = "701-711",
volume = "130",
number = "2",
doi = "10.1007/s10973-017-6458-2"
}
Begović, N. N., Vasić, M. M., Blagojević, V. A., Filipović, N. R., Marinković, A. D., Malešević, A.,& Minić, D. M. (2017). Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex.
Journal of Thermal Analysis and Calorimetry
Springer Netherlands., 130(2), 701-711.
https://doi.org/10.1007/s10973-017-6458-2
Begović NN, Vasić MM, Blagojević VA, Filipović NR, Marinković AD, Malešević A, Minić DM. Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex. Journal of Thermal Analysis and Calorimetry. 2017;130(2):701-711
Begović Nebojša N., Vasić Milica M., Blagojević Vladimir A., Filipović Nenad R., Marinković Aleksandar D., Malešević Aleksandar, Minić Dragica M., "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex" Journal of Thermal Analysis and Calorimetry, 130, no. 2 (2017):701-711,
https://doi.org/10.1007/s10973-017-6458-2 .
2
2
2

Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines

Filipović, Nenad R.; Bjelogrlić, Snežana; Todorović, Tamara R.; Blagojević, Vladimir A.; Muller, Christian D.; Marinković, Aleksandar; Vujčić, Miroslava; Janović, Barbara; Malešević, Aleksandar; Begović, Nebojša N.; Senćanski, Milan; Minić, Dragica M.

(Royal Society of Chemistry, 2016)

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana
AU  - Todorović, Tamara R.
AU  - Blagojević, Vladimir A.
AU  - Muller,  Christian D.
AU  - Marinković, Aleksandar
AU  - Vujčić, Miroslava
AU  - Janović, Barbara
AU  - Malešević, Aleksandar
AU  - Begović, Nebojša N.
AU  - Senćanski, Milan
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://dais.sanu.ac.rs/123456789/2309
AB  - A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3′-(2,2′-(1,1′-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 μM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines
SP  - 108726
EP  - 108740
VL  - 6
DO  - 10.1039/C6RA24604D
ER  - 
@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana and Todorović, Tamara R. and Blagojević, Vladimir A. and Muller,  Christian D. and Marinković, Aleksandar and Vujčić, Miroslava and Janović, Barbara and Malešević, Aleksandar and Begović, Nebojša N. and Senćanski, Milan and Minić, Dragica M.",
year = "2016",
url = "http://dais.sanu.ac.rs/123456789/2309",
abstract = "A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3′-(2,2′-(1,1′-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 μM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines",
pages = "108726-108740",
volume = "6",
doi = "10.1039/C6RA24604D"
}
Filipović, N. R., Bjelogrlić, S., Todorović, T. R., Blagojević, V. A., Muller, C. D., Marinković, A., Vujčić, M., Janović, B., Malešević, A., Begović, N. N., Senćanski, M.,& Minić, D. M. (2016). Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines.
RSC Advances
Royal Society of Chemistry., 6, 108726-108740.
https://doi.org/10.1039/C6RA24604D
Filipović NR, Bjelogrlić S, Todorović TR, Blagojević VA, Muller CD, Marinković A, Vujčić M, Janović B, Malešević A, Begović NN, Senćanski M, Minić DM. Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. RSC Advances. 2016;6:108726-108740
Filipović Nenad R., Bjelogrlić Snežana, Todorović Tamara R., Blagojević Vladimir A., Muller  Christian D., Marinković Aleksandar, Vujčić Miroslava, Janović Barbara, Malešević Aleksandar, Begović Nebojša N., Senćanski Milan, Minić Dragica M., "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines" RSC Advances, 6 (2016):108726-108740,
https://doi.org/10.1039/C6RA24604D .
12
11
12

Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines

Filipović, Nenad R.; Bjelogrlić, Snežana; Todorović, Tamara R.; Blagojević, Vladimir A.; Muller, Christian D.; Marinković, Aleksandar; Vujčić, Miroslava; Janović, Barbara; Malešević, Aleksandar; Begović, Nebojša N.; Senćanski, Milan; Minić, Dragica M.

(2016)

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana
AU  - Todorović, Tamara R.
AU  - Blagojević, Vladimir A.
AU  - Muller, Christian D.
AU  - Marinković, Aleksandar
AU  - Vujčić, Miroslava
AU  - Janović, Barbara
AU  - Malešević, Aleksandar
AU  - Begović, Nebojša N.
AU  - Senćanski, Milan
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://dais.sanu.ac.rs/123456789/860
AB  - A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 µM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.

The authors acknowledge networking support by the COST Action CM1106 StemChem – “Chemical Approaches to Targeting Drug Resistance in Cancer Stem Cells”. The work was funded by the Ministry of Education, Science and Technological Development of the Republic of Serbia (Grant 172055).
T2  - RSC Advances
T1  - Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines
SP  - 108726
EP  - 108740
VL  - 110
VL  - 6
DO  - 10.1039/C6RA24604D
ER  - 
@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana and Todorović, Tamara R. and Blagojević, Vladimir A. and Muller, Christian D. and Marinković, Aleksandar and Vujčić, Miroslava and Janović, Barbara and Malešević, Aleksandar and Begović, Nebojša N. and Senćanski, Milan and Minić, Dragica M.",
year = "2016",
url = "http://dais.sanu.ac.rs/123456789/860",
abstract = "A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 µM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.

The authors acknowledge networking support by the COST Action CM1106 StemChem – “Chemical Approaches to Targeting Drug Resistance in Cancer Stem Cells”. The work was funded by the Ministry of Education, Science and Technological Development of the Republic of Serbia (Grant 172055).",
journal = "RSC Advances",
title = "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines",
pages = "108726-108740",
volume = "110, 6",
doi = "10.1039/C6RA24604D"
}
Filipović, N. R., Bjelogrlić, S., Todorović, T. R., Blagojević, V. A., Muller, C. D., Marinković, A., Vujčić, M., Janović, B., Malešević, A., Begović, N. N., Senćanski, M.,& Minić, D. M. (2016). Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines.
RSC Advances, 6, 108726-108740.
https://doi.org/10.1039/C6RA24604D
Filipović NR, Bjelogrlić S, Todorović TR, Blagojević VA, Muller CD, Marinković A, Vujčić M, Janović B, Malešević A, Begović NN, Senćanski M, Minić DM. Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines. RSC Advances. 2016;6:108726-108740
Filipović Nenad R., Bjelogrlić Snežana, Todorović Tamara R., Blagojević Vladimir A., Muller Christian D., Marinković Aleksandar, Vujčić Miroslava, Janović Barbara, Malešević Aleksandar, Begović Nebojša N., Senćanski Milan, Minić Dragica M., "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines" RSC Advances, 6 (2016):108726-108740,
https://doi.org/10.1039/C6RA24604D .
12
11
12

Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer

Blagojević, Vladimir A.; Lukić, Vladimir; Begović, Nebojša N.; Maričić, Aleksa; Minić, Dragica M.

(Elsevier, 2016)

TY  - JOUR
AU  - Blagojević, Vladimir A.
AU  - Lukić, Vladimir
AU  - Begović, Nebojša N.
AU  - Maričić, Aleksa
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://dais.sanu.ac.rs/123456789/15456
AB  - [Ni2(btc)(en)2]n coordination polymer exhibits a layered two-dimensional structure with weak interaction between the layers. Correlation of experimental measurements, DFT calculations and molecular simulations demonstrated that its structural features, primarily the inherent flexibility of the layered polymeric structure, lead to improved hydrogen storage performance at room temperature, due to significant enhancement in isosteric heats of hydrogen adsorption. Volumetric measurements of hydrogen adsorption at room temperature show up to 0.3 wt.% hydrogen absorbed at 303 K and 2.63 bar of hydrogen pressure, with isosteric heats of adsorption of about 12.5 kJ mol−1. Predicted performance at room temperature is 1.8 wt.% at 48 bar and 3.5 wt.% at 100 bar, better than both MOF-5 and NU-100, with calculated values of isosteric heats for adsorption of hydrogen in 8–13 kJ mol−1 range at both 77 K and 303 K. Grand canonical Monte Carlo calculations show that this material, at 77 K, exhibits gravimetric hydrogen densities of more than 10 wt.% (up to 8.3 wt.% excess) with the corresponding volumetric density of at least 66 gL−1, which is comparable to MOF-5, but achieved with considerably smaller surface area of about 2500 m2 g−1. This study shows that layered two-dimensional MOFs could be a step towards MOF systems with significantly higher isosteric heats of adsorption, which could provide better room temperature hydrogen storage capabilities.
PB  - Elsevier
T2  - International Journal of Hydrogen Energy
T1  - Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer
SP  - 22171
EP  - 22181
VL  - 41
IS  - 47
DO  - 10.1016/j.ijhydene.2016.08.203
ER  - 
@article{
author = "Blagojević, Vladimir A. and Lukić, Vladimir and Begović, Nebojša N. and Maričić, Aleksa and Minić, Dragica M.",
year = "2016",
url = "http://dais.sanu.ac.rs/123456789/15456",
abstract = "[Ni2(btc)(en)2]n coordination polymer exhibits a layered two-dimensional structure with weak interaction between the layers. Correlation of experimental measurements, DFT calculations and molecular simulations demonstrated that its structural features, primarily the inherent flexibility of the layered polymeric structure, lead to improved hydrogen storage performance at room temperature, due to significant enhancement in isosteric heats of hydrogen adsorption. Volumetric measurements of hydrogen adsorption at room temperature show up to 0.3 wt.% hydrogen absorbed at 303 K and 2.63 bar of hydrogen pressure, with isosteric heats of adsorption of about 12.5 kJ mol−1. Predicted performance at room temperature is 1.8 wt.% at 48 bar and 3.5 wt.% at 100 bar, better than both MOF-5 and NU-100, with calculated values of isosteric heats for adsorption of hydrogen in 8–13 kJ mol−1 range at both 77 K and 303 K. Grand canonical Monte Carlo calculations show that this material, at 77 K, exhibits gravimetric hydrogen densities of more than 10 wt.% (up to 8.3 wt.% excess) with the corresponding volumetric density of at least 66 gL−1, which is comparable to MOF-5, but achieved with considerably smaller surface area of about 2500 m2 g−1. This study shows that layered two-dimensional MOFs could be a step towards MOF systems with significantly higher isosteric heats of adsorption, which could provide better room temperature hydrogen storage capabilities.",
publisher = "Elsevier",
journal = "International Journal of Hydrogen Energy",
title = "Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer",
pages = "22171-22181",
volume = "41",
number = "47",
doi = "10.1016/j.ijhydene.2016.08.203"
}
Blagojević, V. A., Lukić, V., Begović, N. N., Maričić, A.,& Minić, D. M. (2016). Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer.
International Journal of Hydrogen Energy
Elsevier., 41(47), 22171-22181.
https://doi.org/10.1016/j.ijhydene.2016.08.203
Blagojević VA, Lukić V, Begović NN, Maričić A, Minić DM. Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer. International Journal of Hydrogen Energy. 2016;41(47):22171-22181
Blagojević Vladimir A., Lukić Vladimir, Begović Nebojša N., Maričić Aleksa, Minić Dragica M., "Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer" International Journal of Hydrogen Energy, 41, no. 47 (2016):22171-22181,
https://doi.org/10.1016/j.ijhydene.2016.08.203 .
8
9
9

Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer

Blagojević, Vladimir A.; Lukić, Vladimir; Begović, Nebojša N.; Maričić, Aleksa; Minić, Dragica M.

(2016)

TY  - JOUR
AU  - Blagojević, Vladimir A.
AU  - Lukić, Vladimir
AU  - Begović, Nebojša N.
AU  - Maričić, Aleksa
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://dais.sanu.ac.rs/123456789/854
AB  - [Ni2(btc)(en)2]n coordination polymer exhibits a layered two-dimensional structure with weak interaction between the layers. Correlation of experimental measurements, DFT calculations and molecular simulations demonstrated that its structural features, primarily the inherent flexibility of the layered polymeric structure, lead to improved hydrogen storage performance at room temperature, due to significant enhancement in isosteric heats of hydrogen adsorption. Volumetric measurements of hydrogen adsorption at room temperature show up to 0.3 wt.% hydrogen absorbed at 303 K and 2.63 bar of hydrogen pressure, with isosteric heats of adsorption of about 12.5 kJ mol−1. Predicted performance at room temperature is 1.8 wt.% at 48 bar and 3.5 wt.% at 100 bar, better than both MOF-5 and NU-100, with calculated values of isosteric heats for adsorption of hydrogen in 8–13 kJ mol−1 range at both 77 K and 303 K. Grand canonical Monte Carlo calculations show that this material, at 77 K, exhibits gravimetric hydrogen densities of more than 10 wt.% (up to 8.3 wt.% excess) with the corresponding volumetric density of at least 66 gL−1, which is comparable to MOF-5, but achieved with considerably smaller surface area of about 2500 m2 g−1. This study shows that layered two-dimensional MOFs could be a step towards MOF systems with significantly higher isosteric heats of adsorption, which could provide better room temperature hydrogen storage capabilities.
T2  - International Journal of Hydrogen Energy
T1  - Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer
SP  - 22171
EP  - 22181
VL  - 41
IS  - 47
DO  - 10.1016/j.ijhydene.2016.08.203
ER  - 
@article{
author = "Blagojević, Vladimir A. and Lukić, Vladimir and Begović, Nebojša N. and Maričić, Aleksa and Minić, Dragica M.",
year = "2016",
url = "http://dais.sanu.ac.rs/123456789/854",
abstract = "[Ni2(btc)(en)2]n coordination polymer exhibits a layered two-dimensional structure with weak interaction between the layers. Correlation of experimental measurements, DFT calculations and molecular simulations demonstrated that its structural features, primarily the inherent flexibility of the layered polymeric structure, lead to improved hydrogen storage performance at room temperature, due to significant enhancement in isosteric heats of hydrogen adsorption. Volumetric measurements of hydrogen adsorption at room temperature show up to 0.3 wt.% hydrogen absorbed at 303 K and 2.63 bar of hydrogen pressure, with isosteric heats of adsorption of about 12.5 kJ mol−1. Predicted performance at room temperature is 1.8 wt.% at 48 bar and 3.5 wt.% at 100 bar, better than both MOF-5 and NU-100, with calculated values of isosteric heats for adsorption of hydrogen in 8–13 kJ mol−1 range at both 77 K and 303 K. Grand canonical Monte Carlo calculations show that this material, at 77 K, exhibits gravimetric hydrogen densities of more than 10 wt.% (up to 8.3 wt.% excess) with the corresponding volumetric density of at least 66 gL−1, which is comparable to MOF-5, but achieved with considerably smaller surface area of about 2500 m2 g−1. This study shows that layered two-dimensional MOFs could be a step towards MOF systems with significantly higher isosteric heats of adsorption, which could provide better room temperature hydrogen storage capabilities.",
journal = "International Journal of Hydrogen Energy",
title = "Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer",
pages = "22171-22181",
volume = "41",
number = "47",
doi = "10.1016/j.ijhydene.2016.08.203"
}
Blagojević, V. A., Lukić, V., Begović, N. N., Maričić, A.,& Minić, D. M. (2016). Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer.
International Journal of Hydrogen Energy, 41(47), 22171-22181.
https://doi.org/10.1016/j.ijhydene.2016.08.203
Blagojević VA, Lukić V, Begović NN, Maričić A, Minić DM. Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer. International Journal of Hydrogen Energy. 2016;41(47):22171-22181
Blagojević Vladimir A., Lukić Vladimir, Begović Nebojša N., Maričić Aleksa, Minić Dragica M., "Hydrogen storage in a layered flexible [Ni2(btc)(en)2]n coordination polymer" International Journal of Hydrogen Energy, 41, no. 47 (2016):22171-22181,
https://doi.org/10.1016/j.ijhydene.2016.08.203 .
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Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(μ 2-pyromellitato)dinickel(II) tetrahydrate

Zdravković, Jelena D.; Poleti, Dejan; Rogan, Jelena; Begović, Nebojša N.; Blagojević, Vladimir A.; Vasić, Milica M.; Minić, Dragica M.

(Springer, 2016)

TY  - JOUR
AU  - Zdravković, Jelena D.
AU  - Poleti, Dejan
AU  - Rogan, Jelena
AU  - Begović, Nebojša N.
AU  - Blagojević, Vladimir A.
AU  - Vasić, Milica M.
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://dais.sanu.ac.rs/123456789/16009
AB  - Thermal degradation of ternary transition metal complex containing tetraanion of pyromellitic acid, pyr, and ethylenediamine, en, [Ni2(en)2(H2O)6(pyr)]·4H2O, 1, was investigated under non-isothermal conditions. The mechanism of thermal degradation, which occurs in three steps, was clarified by TG/DSC measurements in conjunction with FT-IR spectroscopy and XRPD analysis. The complexity of all degradation steps has been revealed using isoconversional methods. Dehydration comprises the loss of ten water molecules in a relatively narrow temperature interval, resulting in a very complicated reaction mechanism. In addition, density functional theory calculations have been applied for better understanding of dehydration. The second degradation step, related to loss of en, was separated into two single-step processes with Fraser–Suzuki function. The obtained individual steps were described by Johnson–Mehl–Avrami A2 model and Šesták–Berggren model, respectively. Validation of the proposed kinetic triplets for individual steps was performed using master plot and Pérez-Maqueda criteria. The third degradation step is related to the fragmentation of pyr ion most likely followed with the release of a number of gaseous products.
PB  - Springer
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(μ 2-pyromellitato)dinickel(II) tetrahydrate
SP  - 1715
EP  - 1726
VL  - 123
IS  - 2
DO  - 10.1007/s10973-015-5007-0
ER  - 
@article{
author = "Zdravković, Jelena D. and Poleti, Dejan and Rogan, Jelena and Begović, Nebojša N. and Blagojević, Vladimir A. and Vasić, Milica M. and Minić, Dragica M.",
year = "2016",
url = "http://dais.sanu.ac.rs/123456789/16009",
abstract = "Thermal degradation of ternary transition metal complex containing tetraanion of pyromellitic acid, pyr, and ethylenediamine, en, [Ni2(en)2(H2O)6(pyr)]·4H2O, 1, was investigated under non-isothermal conditions. The mechanism of thermal degradation, which occurs in three steps, was clarified by TG/DSC measurements in conjunction with FT-IR spectroscopy and XRPD analysis. The complexity of all degradation steps has been revealed using isoconversional methods. Dehydration comprises the loss of ten water molecules in a relatively narrow temperature interval, resulting in a very complicated reaction mechanism. In addition, density functional theory calculations have been applied for better understanding of dehydration. The second degradation step, related to loss of en, was separated into two single-step processes with Fraser–Suzuki function. The obtained individual steps were described by Johnson–Mehl–Avrami A2 model and Šesták–Berggren model, respectively. Validation of the proposed kinetic triplets for individual steps was performed using master plot and Pérez-Maqueda criteria. The third degradation step is related to the fragmentation of pyr ion most likely followed with the release of a number of gaseous products.",
publisher = "Springer",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(μ 2-pyromellitato)dinickel(II) tetrahydrate",
pages = "1715-1726",
volume = "123",
number = "2",
doi = "10.1007/s10973-015-5007-0"
}
Zdravković, J. D., Poleti, D., Rogan, J., Begović, N. N., Blagojević, V. A., Vasić, M. M.,& Minić, D. M. (2016). Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(μ 2-pyromellitato)dinickel(II) tetrahydrate.
Journal of Thermal Analysis and Calorimetry
Springer., 123(2), 1715-1726.
https://doi.org/10.1007/s10973-015-5007-0
Zdravković JD, Poleti D, Rogan J, Begović NN, Blagojević VA, Vasić MM, Minić DM. Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(μ 2-pyromellitato)dinickel(II) tetrahydrate. Journal of Thermal Analysis and Calorimetry. 2016;123(2):1715-1726
Zdravković Jelena D., Poleti Dejan, Rogan Jelena, Begović Nebojša N., Blagojević Vladimir A., Vasić Milica M., Minić Dragica M., "Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(μ 2-pyromellitato)dinickel(II) tetrahydrate" Journal of Thermal Analysis and Calorimetry, 123, no. 2 (2016):1715-1726,
https://doi.org/10.1007/s10973-015-5007-0 .
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