Blagojević Filipović, Jelena P.

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Authority KeyName Variants
orcid::0000-0003-2828-0836
  • Blagojević Filipović, Jelena P. (3)
  • Blagojević Filipović, Jelena (1)
  • Filipović, Jelena (1)

Author's Bibliography

Celery Root Phenols Content, Antioxidant Capacities and Their Correlations after Osmotic Dehydration in Molasses

Nićetin, Milica; Pezo, Lato; Pergal, Marija; Lončar, Biljana; Filipović, Vladimir; Knežević, Violeta; Demir, Hande; Filipović, Jelena; Manojlović, Dragan

(MDPI, 2022)

TY  - JOUR
AU  - Nićetin, Milica
AU  - Pezo, Lato
AU  - Pergal, Marija
AU  - Lončar, Biljana
AU  - Filipović, Vladimir
AU  - Knežević, Violeta
AU  - Demir, Hande
AU  - Filipović, Jelena
AU  - Manojlović, Dragan
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5582
AB  - The osmotic dehydration (OD) of celery root in sugar beet molasses was studied at three temperatures (20, 35, and 50 °C) and three immersion periods (1, 3, and 5 h) in order to examine the changes in antioxidant potential and phenolic profile of celery root throughout the process. The antioxidant capacity (AOC) of dehydrated samples was evaluated by spectrophotometric and polarographic assays, the total phenolic content by the Folin-Ciocalteu method, and the individual phenolic compounds by HPLC-DAD. As a result of OD in molasses, the AOC and phenols content in samples increased proportionally to the augmentation of temperature and the immersion time. Vanillic acid, syringic acid, and catechin were detected in dehydrated samples as a result of transfer from molasses. Compared to fresh celery root, the content of identified phenols in osmodehydrated samples was improved from 1.5 to 6.2 times. Strong correlations between applied assays were obtained, except for the DPPH. Based on the correlation analysis chlorogenic acid, gallic acid, chrysin, catechin, and kaempferol showed the greatest contribution to the overall AOC of osmodehydrated celery root. Molasses, an agro-industrial waste from sugar production, could be valorized as a valuable osmotic solution.
PB  - MDPI
T2  - Foods
T1  - Celery Root Phenols Content, Antioxidant Capacities and Their Correlations after Osmotic Dehydration in Molasses
VL  - 11
IS  - 13
SP  - 1945
DO  - 10.3390/foods11131945
ER  - 
@article{
author = "Nićetin, Milica and Pezo, Lato and Pergal, Marija and Lončar, Biljana and Filipović, Vladimir and Knežević, Violeta and Demir, Hande and Filipović, Jelena and Manojlović, Dragan",
year = "2022",
abstract = "The osmotic dehydration (OD) of celery root in sugar beet molasses was studied at three temperatures (20, 35, and 50 °C) and three immersion periods (1, 3, and 5 h) in order to examine the changes in antioxidant potential and phenolic profile of celery root throughout the process. The antioxidant capacity (AOC) of dehydrated samples was evaluated by spectrophotometric and polarographic assays, the total phenolic content by the Folin-Ciocalteu method, and the individual phenolic compounds by HPLC-DAD. As a result of OD in molasses, the AOC and phenols content in samples increased proportionally to the augmentation of temperature and the immersion time. Vanillic acid, syringic acid, and catechin were detected in dehydrated samples as a result of transfer from molasses. Compared to fresh celery root, the content of identified phenols in osmodehydrated samples was improved from 1.5 to 6.2 times. Strong correlations between applied assays were obtained, except for the DPPH. Based on the correlation analysis chlorogenic acid, gallic acid, chrysin, catechin, and kaempferol showed the greatest contribution to the overall AOC of osmodehydrated celery root. Molasses, an agro-industrial waste from sugar production, could be valorized as a valuable osmotic solution.",
publisher = "MDPI",
journal = "Foods",
title = "Celery Root Phenols Content, Antioxidant Capacities and Their Correlations after Osmotic Dehydration in Molasses",
volume = "11",
number = "13",
pages = "1945",
doi = "10.3390/foods11131945"
}
Nićetin, M., Pezo, L., Pergal, M., Lončar, B., Filipović, V., Knežević, V., Demir, H., Filipović, J.,& Manojlović, D.. (2022). Celery Root Phenols Content, Antioxidant Capacities and Their Correlations after Osmotic Dehydration in Molasses. in Foods
MDPI., 11(13), 1945.
https://doi.org/10.3390/foods11131945
Nićetin M, Pezo L, Pergal M, Lončar B, Filipović V, Knežević V, Demir H, Filipović J, Manojlović D. Celery Root Phenols Content, Antioxidant Capacities and Their Correlations after Osmotic Dehydration in Molasses. in Foods. 2022;11(13):1945.
doi:10.3390/foods11131945 .
Nićetin, Milica, Pezo, Lato, Pergal, Marija, Lončar, Biljana, Filipović, Vladimir, Knežević, Violeta, Demir, Hande, Filipović, Jelena, Manojlović, Dragan, "Celery Root Phenols Content, Antioxidant Capacities and Their Correlations after Osmotic Dehydration in Molasses" in Foods, 11, no. 13 (2022):1945,
https://doi.org/10.3390/foods11131945 . .
5
3

Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database

Milovanović, Milan R.; Živković, Jelena M.; Ninković, Dragan B.; Blagojević Filipović, Jelena P.; Vojislavljević-Vasilev, Dubravka Z.; Veljković, Ivana S.; Stanković, Ivana M.; Malenov, Dušan P.; Medaković, Vesna; Veljković, Dušan Ž.; Zarić, Snežana D.

(The International Union of Crystallography (IUCr), 2021)

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan B.
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka Z.
AU  - Veljković, Ivana S.
AU  - Stanković, Ivana M.
AU  - Malenov, Dušan P.
AU  - Medaković, Vesna
AU  - Veljković, Dušan Ž.
AU  - Zarić, Snežana D.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5347
AB  - In the recent review it was point out that the crystal structures in the Cambridge Structural Database (CSD), collected, have contributeto various fields of chemical research such as geometries of molecules, noncovalent interactions of molecules, and large assemblies ofmolecules. The CSD also contributed to the study and the design of biologically active molecules and the study of gas storage anddelivery [1].In our group we use analysis of the crystal structures in the CSD to recognize and characterize new types of noncovalent interactionsand to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions,frequency of the interactions, and preferred geometries of the interactions in the crystal structures. In addition, we perform quantumchemical calculations to evaluate the energies of the interactions. Based on the calculated potential energy surfaces for theinteractions, we can determine the most stable geometries, as well as stability of various geometries. We also can determine theinteraction energies for the preferred geometries in the crystal structures. In the cases where the most preferred geometries in thecrystal structures are not the most stable geometries at the potential energy surface, one can find significant influence of thesupramolecular structures in the crystals.Using this methodology our group recognized stacking interactions of planar metal-chelate rings; stacking interactions with organicaromatic rings and stacking interactions between two chelate rings. The calculated energies indicate strong stacking interactions ofmetal-chelate rings; the stacking of metal-chelate rings is stronger than stacking between two benzene molecules [2]. The data indicateinfluence of the metal and ligand type in the metal chelate ring on the strength of the interactions. Our results also indicate strongstacking interactions of coordinated aromatic rings [3]. Studies of interactions of coordinated water indicate stronger hydrogen bondsand stronger OH/π interactions of coordinated in comparison to noncoordianted water molecule [4,5]. The calculations on OH/Minteractions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongesthydrogen bonds in any molecular system [6].The studies on stacking interactions of benzene molecules in the crystal structures in the CSD show preference for interactions at largehorizontal displacements, while high level quantum chemical calculations indicate significantly strong interactions at large offsets; theenergy is 70% of the strongest stacking geometry [7].
PB  - The International Union of Crystallography (IUCr)
C3  - Acta Crystallographica, section A
T1  - Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database
VL  - A77
SP  - C192
DO  - 10.1107/S0108767321094903
ER  - 
@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Ninković, Dragan B. and Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka Z. and Veljković, Ivana S. and Stanković, Ivana M. and Malenov, Dušan P. and Medaković, Vesna and Veljković, Dušan Ž. and Zarić, Snežana D.",
year = "2021",
abstract = "In the recent review it was point out that the crystal structures in the Cambridge Structural Database (CSD), collected, have contributeto various fields of chemical research such as geometries of molecules, noncovalent interactions of molecules, and large assemblies ofmolecules. The CSD also contributed to the study and the design of biologically active molecules and the study of gas storage anddelivery [1].In our group we use analysis of the crystal structures in the CSD to recognize and characterize new types of noncovalent interactionsand to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions,frequency of the interactions, and preferred geometries of the interactions in the crystal structures. In addition, we perform quantumchemical calculations to evaluate the energies of the interactions. Based on the calculated potential energy surfaces for theinteractions, we can determine the most stable geometries, as well as stability of various geometries. We also can determine theinteraction energies for the preferred geometries in the crystal structures. In the cases where the most preferred geometries in thecrystal structures are not the most stable geometries at the potential energy surface, one can find significant influence of thesupramolecular structures in the crystals.Using this methodology our group recognized stacking interactions of planar metal-chelate rings; stacking interactions with organicaromatic rings and stacking interactions between two chelate rings. The calculated energies indicate strong stacking interactions ofmetal-chelate rings; the stacking of metal-chelate rings is stronger than stacking between two benzene molecules [2]. The data indicateinfluence of the metal and ligand type in the metal chelate ring on the strength of the interactions. Our results also indicate strongstacking interactions of coordinated aromatic rings [3]. Studies of interactions of coordinated water indicate stronger hydrogen bondsand stronger OH/π interactions of coordinated in comparison to noncoordianted water molecule [4,5]. The calculations on OH/Minteractions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongesthydrogen bonds in any molecular system [6].The studies on stacking interactions of benzene molecules in the crystal structures in the CSD show preference for interactions at largehorizontal displacements, while high level quantum chemical calculations indicate significantly strong interactions at large offsets; theenergy is 70% of the strongest stacking geometry [7].",
publisher = "The International Union of Crystallography (IUCr)",
journal = "Acta Crystallographica, section A",
title = "Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database",
volume = "A77",
pages = "C192",
doi = "10.1107/S0108767321094903"
}
Milovanović, M. R., Živković, J. M., Ninković, D. B., Blagojević Filipović, J. P., Vojislavljević-Vasilev, D. Z., Veljković, I. S., Stanković, I. M., Malenov, D. P., Medaković, V., Veljković, D. Ž.,& Zarić, S. D.. (2021). Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database. in Acta Crystallographica, section A
The International Union of Crystallography (IUCr)., A77, C192.
https://doi.org/10.1107/S0108767321094903
Milovanović MR, Živković JM, Ninković DB, Blagojević Filipović JP, Vojislavljević-Vasilev DZ, Veljković IS, Stanković IM, Malenov DP, Medaković V, Veljković DŽ, Zarić SD. Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database. in Acta Crystallographica, section A. 2021;A77:C192.
doi:10.1107/S0108767321094903 .
Milovanović, Milan R., Živković, Jelena M., Ninković, Dragan B., Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka Z., Veljković, Ivana S., Stanković, Ivana M., Malenov, Dušan P., Medaković, Vesna, Veljković, Dušan Ž., Zarić, Snežana D., "Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database" in Acta Crystallographica, section A, A77 (2021):C192,
https://doi.org/10.1107/S0108767321094903 . .

Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations

Stanković, Ivana; Blagojević Filipović, Jelena P.; Zarić, Snežana D.

(Elsevier, 2020)

TY  - JOUR
AU  - Stanković, Ivana
AU  - Blagojević Filipović, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3519
AB  - The geometries of the contacts between monosaccharides and aromatic rings of amino acids found in X-ray crystallography structures, in the Protein Data Bank (PDB), were analyzed, while the energies of the interactions were calculated using quantum chemical method. We found 1913 sugar/aromatic ring contacts, 1054 of them (55%) with CH/π interactions and 859 of them (45%) without CH/π interactions. We showed that only the carbohydrate/aromatic contacts with CH/π interactions are preferentially parallel and enable sliding in the plane parallel to aromatic ring. The calculated interaction energies in systems with CH/π interactions are in the range from −1.7 kcal/mol to −6.8 kcal/mol, while in the systems without CH/π interactions are in the range −0.2 to −3.2 kcal/mol. Hence, the binding that does not include CH/π interactions, can also be important for aromatic amino acid and carbohydrate binding processes, since some of these interactions can be as strong as the CH/π interactions. At the same time, these interactions can be weak enough to enable releasing of small carbohydrate fragments after the enzymatic reaction. The analysis of the protein-substrate patterns showed that every second or third carbohydrate unit in long substrates stacks with protein aromatic amino acids.
PB  - Elsevier
T2  - International Journal of Biological Macromolecules
T1  - Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations
VL  - 157
SP  - 1
EP  - 9
DO  - 10.1016/j.ijbiomac.2020.03.251
ER  - 
@article{
author = "Stanković, Ivana and Blagojević Filipović, Jelena P. and Zarić, Snežana D.",
year = "2020",
abstract = "The geometries of the contacts between monosaccharides and aromatic rings of amino acids found in X-ray crystallography structures, in the Protein Data Bank (PDB), were analyzed, while the energies of the interactions were calculated using quantum chemical method. We found 1913 sugar/aromatic ring contacts, 1054 of them (55%) with CH/π interactions and 859 of them (45%) without CH/π interactions. We showed that only the carbohydrate/aromatic contacts with CH/π interactions are preferentially parallel and enable sliding in the plane parallel to aromatic ring. The calculated interaction energies in systems with CH/π interactions are in the range from −1.7 kcal/mol to −6.8 kcal/mol, while in the systems without CH/π interactions are in the range −0.2 to −3.2 kcal/mol. Hence, the binding that does not include CH/π interactions, can also be important for aromatic amino acid and carbohydrate binding processes, since some of these interactions can be as strong as the CH/π interactions. At the same time, these interactions can be weak enough to enable releasing of small carbohydrate fragments after the enzymatic reaction. The analysis of the protein-substrate patterns showed that every second or third carbohydrate unit in long substrates stacks with protein aromatic amino acids.",
publisher = "Elsevier",
journal = "International Journal of Biological Macromolecules",
title = "Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations",
volume = "157",
pages = "1-9",
doi = "10.1016/j.ijbiomac.2020.03.251"
}
Stanković, I., Blagojević Filipović, J. P.,& Zarić, S. D.. (2020). Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations. in International Journal of Biological Macromolecules
Elsevier., 157, 1-9.
https://doi.org/10.1016/j.ijbiomac.2020.03.251
Stanković I, Blagojević Filipović JP, Zarić SD. Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations. in International Journal of Biological Macromolecules. 2020;157:1-9.
doi:10.1016/j.ijbiomac.2020.03.251 .
Stanković, Ivana, Blagojević Filipović, Jelena P., Zarić, Snežana D., "Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations" in International Journal of Biological Macromolecules, 157 (2020):1-9,
https://doi.org/10.1016/j.ijbiomac.2020.03.251 . .
13
8
12

Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations

Stanković, Ivana; Blagojević Filipović, Jelena P.; Zarić, Snežana D.

(Elsevier, 2020)

TY  - JOUR
AU  - Stanković, Ivana
AU  - Blagojević Filipović, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3520
AB  - The geometries of the contacts between monosaccharides and aromatic rings of amino acids found in X-ray crystallography structures, in the Protein Data Bank (PDB), were analyzed, while the energies of the interactions were calculated using quantum chemical method. We found 1913 sugar/aromatic ring contacts, 1054 of them (55%) with CH/π interactions and 859 of them (45%) without CH/π interactions. We showed that only the carbohydrate/aromatic contacts with CH/π interactions are preferentially parallel and enable sliding in the plane parallel to aromatic ring. The calculated interaction energies in systems with CH/π interactions are in the range from −1.7 kcal/mol to −6.8 kcal/mol, while in the systems without CH/π interactions are in the range −0.2 to −3.2 kcal/mol. Hence, the binding that does not include CH/π interactions, can also be important for aromatic amino acid and carbohydrate binding processes, since some of these interactions can be as strong as the CH/π interactions. At the same time, these interactions can be weak enough to enable releasing of small carbohydrate fragments after the enzymatic reaction. The analysis of the protein-substrate patterns showed that every second or third carbohydrate unit in long substrates stacks with protein aromatic amino acids.
PB  - Elsevier
T2  - International Journal of Biological Macromolecules
T1  - Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations
VL  - 157
SP  - 1
EP  - 9
DO  - 10.1016/j.ijbiomac.2020.03.251
ER  - 
@article{
author = "Stanković, Ivana and Blagojević Filipović, Jelena P. and Zarić, Snežana D.",
year = "2020",
abstract = "The geometries of the contacts between monosaccharides and aromatic rings of amino acids found in X-ray crystallography structures, in the Protein Data Bank (PDB), were analyzed, while the energies of the interactions were calculated using quantum chemical method. We found 1913 sugar/aromatic ring contacts, 1054 of them (55%) with CH/π interactions and 859 of them (45%) without CH/π interactions. We showed that only the carbohydrate/aromatic contacts with CH/π interactions are preferentially parallel and enable sliding in the plane parallel to aromatic ring. The calculated interaction energies in systems with CH/π interactions are in the range from −1.7 kcal/mol to −6.8 kcal/mol, while in the systems without CH/π interactions are in the range −0.2 to −3.2 kcal/mol. Hence, the binding that does not include CH/π interactions, can also be important for aromatic amino acid and carbohydrate binding processes, since some of these interactions can be as strong as the CH/π interactions. At the same time, these interactions can be weak enough to enable releasing of small carbohydrate fragments after the enzymatic reaction. The analysis of the protein-substrate patterns showed that every second or third carbohydrate unit in long substrates stacks with protein aromatic amino acids.",
publisher = "Elsevier",
journal = "International Journal of Biological Macromolecules",
title = "Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations",
volume = "157",
pages = "1-9",
doi = "10.1016/j.ijbiomac.2020.03.251"
}
Stanković, I., Blagojević Filipović, J. P.,& Zarić, S. D.. (2020). Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations. in International Journal of Biological Macromolecules
Elsevier., 157, 1-9.
https://doi.org/10.1016/j.ijbiomac.2020.03.251
Stanković I, Blagojević Filipović JP, Zarić SD. Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations. in International Journal of Biological Macromolecules. 2020;157:1-9.
doi:10.1016/j.ijbiomac.2020.03.251 .
Stanković, Ivana, Blagojević Filipović, Jelena P., Zarić, Snežana D., "Carbohydrate – Protein aromatic ring interactions beyond CH/π interactions: A Protein Data Bank survey and quantum chemical calculations" in International Journal of Biological Macromolecules, 157 (2020):1-9,
https://doi.org/10.1016/j.ijbiomac.2020.03.251 . .
13
8
12

Noncovalent Interactions оf Metal Complexes аnd Aromatic Molecules

Ninković, Dragan B.; Veljković, Dušan; Malenov, Dusan P.; Milovanović, Milan R.; Stanković, Ivana; Veljković, Ivana S.; Medaković, Vesna B.; Blagojević Filipović, Jelena; Vojislavljević-Vasilev, Dubravka Z.; Zarić, Snežana

(Serbian Crystallographic Society, 2019)

TY  - CONF
AU  - Ninković, Dragan B.
AU  - Veljković, Dušan
AU  - Malenov, Dusan P.
AU  - Milovanović, Milan R.
AU  - Stanković, Ivana
AU  - Veljković, Ivana S.
AU  - Medaković, Vesna B.
AU  - Blagojević Filipović, Jelena
AU  - Vojislavljević-Vasilev, Dubravka Z.
AU  - Zarić, Snežana
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6620
AB  - Our research is based on analyzing data in crystal structures from the Cambridge Structural Database (CSD) and on quantum chemical calculations. The analysis of the data from the CSD enable to recognize interactions in crystal structures and to describe the geometries of these interactions, while by quantum chemical calculations we can evaluate interaction energies and find the most stable interaction geometries. Using this methodology we were able to recognize and describe several new types of noncovalent interactions. Our study of planar metal-chelate rings interactions showed possibility of chelate ring stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings. The calculated energies indicate strong stacking interactions of metal-chelate rings; the stacking of metal-chelate rings is stronger than stacking between two benzene molecules. Studies of interactions of coordinated water and ammonia indicate stronger hydrogen bonds and stronger OH/pi and NH/pi interactions of coordinated in comparison to noncoordianted water and ammonia. The calculations on OH/M interac-tions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongest hydrogen bonds in any molecular system. The studies on aromatic molecules indicate stacking interactions at large horizontal dispacements between two aromatic molecules with significantly strong interacitons, the energy is 70% of the strongest stacking geometry. Our data also indicate that stacking interactions of an aliphatic rings with an aromatic ring are stonger than interactions between two aromatic molecules, while aliphatic/aromatic interactions are very frequent in protein structures.
PB  - Serbian Crystallographic Society
C3  - 26th Conference of the Serbian Crystallographic Society, Abstracts, Silver Lake, Serbia / XXVI Konferencija Srpskog kristalografskog društva, Izvodi radova, Srebrno jezero, Srbija
T1  - Noncovalent Interactions оf Metal Complexes аnd Aromatic Molecules
SP  - 9
EP  - 9
UR  - https://hdl.handle.net/21.15107/rcub_cer_6620
ER  - 
@conference{
author = "Ninković, Dragan B. and Veljković, Dušan and Malenov, Dusan P. and Milovanović, Milan R. and Stanković, Ivana and Veljković, Ivana S. and Medaković, Vesna B. and Blagojević Filipović, Jelena and Vojislavljević-Vasilev, Dubravka Z. and Zarić, Snežana",
year = "2019",
abstract = "Our research is based on analyzing data in crystal structures from the Cambridge Structural Database (CSD) and on quantum chemical calculations. The analysis of the data from the CSD enable to recognize interactions in crystal structures and to describe the geometries of these interactions, while by quantum chemical calculations we can evaluate interaction energies and find the most stable interaction geometries. Using this methodology we were able to recognize and describe several new types of noncovalent interactions. Our study of planar metal-chelate rings interactions showed possibility of chelate ring stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings. The calculated energies indicate strong stacking interactions of metal-chelate rings; the stacking of metal-chelate rings is stronger than stacking between two benzene molecules. Studies of interactions of coordinated water and ammonia indicate stronger hydrogen bonds and stronger OH/pi and NH/pi interactions of coordinated in comparison to noncoordianted water and ammonia. The calculations on OH/M interac-tions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongest hydrogen bonds in any molecular system. The studies on aromatic molecules indicate stacking interactions at large horizontal dispacements between two aromatic molecules with significantly strong interacitons, the energy is 70% of the strongest stacking geometry. Our data also indicate that stacking interactions of an aliphatic rings with an aromatic ring are stonger than interactions between two aromatic molecules, while aliphatic/aromatic interactions are very frequent in protein structures.",
publisher = "Serbian Crystallographic Society",
journal = "26th Conference of the Serbian Crystallographic Society, Abstracts, Silver Lake, Serbia / XXVI Konferencija Srpskog kristalografskog društva, Izvodi radova, Srebrno jezero, Srbija",
title = "Noncovalent Interactions оf Metal Complexes аnd Aromatic Molecules",
pages = "9-9",
url = "https://hdl.handle.net/21.15107/rcub_cer_6620"
}
Ninković, D. B., Veljković, D., Malenov, D. P., Milovanović, M. R., Stanković, I., Veljković, I. S., Medaković, V. B., Blagojević Filipović, J., Vojislavljević-Vasilev, D. Z.,& Zarić, S.. (2019). Noncovalent Interactions оf Metal Complexes аnd Aromatic Molecules. in 26th Conference of the Serbian Crystallographic Society, Abstracts, Silver Lake, Serbia / XXVI Konferencija Srpskog kristalografskog društva, Izvodi radova, Srebrno jezero, Srbija
Serbian Crystallographic Society., 9-9.
https://hdl.handle.net/21.15107/rcub_cer_6620
Ninković DB, Veljković D, Malenov DP, Milovanović MR, Stanković I, Veljković IS, Medaković VB, Blagojević Filipović J, Vojislavljević-Vasilev DZ, Zarić S. Noncovalent Interactions оf Metal Complexes аnd Aromatic Molecules. in 26th Conference of the Serbian Crystallographic Society, Abstracts, Silver Lake, Serbia / XXVI Konferencija Srpskog kristalografskog društva, Izvodi radova, Srebrno jezero, Srbija. 2019;:9-9.
https://hdl.handle.net/21.15107/rcub_cer_6620 .
Ninković, Dragan B., Veljković, Dušan, Malenov, Dusan P., Milovanović, Milan R., Stanković, Ivana, Veljković, Ivana S., Medaković, Vesna B., Blagojević Filipović, Jelena, Vojislavljević-Vasilev, Dubravka Z., Zarić, Snežana, "Noncovalent Interactions оf Metal Complexes аnd Aromatic Molecules" in 26th Conference of the Serbian Crystallographic Society, Abstracts, Silver Lake, Serbia / XXVI Konferencija Srpskog kristalografskog društva, Izvodi radova, Srebrno jezero, Srbija (2019):9-9,
https://hdl.handle.net/21.15107/rcub_cer_6620 .