Simić, Milena R.

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orcid::0000-0002-0865-5509
  • Simić, Milena R. (3)
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Author's Bibliography

Synthesis and characterization of nanocrystalline polyhedral oligo silsesquioxanes (POSS) with cross-linkable functionalities

Tomić, Nataša; Vuksanović, Marija M.; Đokić, Veljko; Mitrić, Miodrag; Simić, Milena R.; Pavlović, Vladimir B.; Jančić-Heinemann, Radmila; Marinković, Aleksandar

(Pergamon-Elsevier Science Ltd, Oxford, 2019)

TY  - JOUR
AU  - Tomić, Nataša
AU  - Vuksanović, Marija M.
AU  - Đokić, Veljko
AU  - Mitrić, Miodrag
AU  - Simić, Milena R.
AU  - Pavlović, Vladimir B.
AU  - Jančić-Heinemann, Radmila
AU  - Marinković, Aleksandar
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4121
AB  - A facile synthesis was employed for three polyhedral oligo silsequioxanes (POSS), obtaining incompletely condensed structures with fern-like and cubic morphologies. Proton nuclear magnetic resonance spectroscopy (H-1 NMR) indicated the successful synthesis of the proposed POSS structures. The hydroxyl groups affected the manner and type of POSS morphology, as seen under a scanning electron microscope (SEM) and a transmission electron microscope (TEM). Fourier-transform infrared spectroscopy (FTIR) showed the availability of surface hydroxyl groups that contributed to the formation of a higher amount of char residue, as found from TGA analysis. The highest decomposition temperature (281 degrees C) and the least char residue were found for a cross-linkable POSS, obtained by esterification of the hydroxyl groups with methacryloyl chloride.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Synthesis and characterization of nanocrystalline polyhedral oligo silsesquioxanes (POSS) with cross-linkable functionalities
EP  - 304
SP  - 299
VL  - 171
DO  - 10.1016/j.poly.2019.06.059
ER  - 
@article{
author = "Tomić, Nataša and Vuksanović, Marija M. and Đokić, Veljko and Mitrić, Miodrag and Simić, Milena R. and Pavlović, Vladimir B. and Jančić-Heinemann, Radmila and Marinković, Aleksandar",
year = "2019",
abstract = "A facile synthesis was employed for three polyhedral oligo silsequioxanes (POSS), obtaining incompletely condensed structures with fern-like and cubic morphologies. Proton nuclear magnetic resonance spectroscopy (H-1 NMR) indicated the successful synthesis of the proposed POSS structures. The hydroxyl groups affected the manner and type of POSS morphology, as seen under a scanning electron microscope (SEM) and a transmission electron microscope (TEM). Fourier-transform infrared spectroscopy (FTIR) showed the availability of surface hydroxyl groups that contributed to the formation of a higher amount of char residue, as found from TGA analysis. The highest decomposition temperature (281 degrees C) and the least char residue were found for a cross-linkable POSS, obtained by esterification of the hydroxyl groups with methacryloyl chloride.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Synthesis and characterization of nanocrystalline polyhedral oligo silsesquioxanes (POSS) with cross-linkable functionalities",
pages = "304-299",
volume = "171",
doi = "10.1016/j.poly.2019.06.059"
}
Tomić, N., Vuksanović, M. M., Đokić, V., Mitrić, M., Simić, M. R., Pavlović, V. B., Jančić-Heinemann, R.,& Marinković, A.. (2019). Synthesis and characterization of nanocrystalline polyhedral oligo silsesquioxanes (POSS) with cross-linkable functionalities. in Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 171, 299-304.
https://doi.org/10.1016/j.poly.2019.06.059
Tomić N, Vuksanović MM, Đokić V, Mitrić M, Simić MR, Pavlović VB, Jančić-Heinemann R, Marinković A. Synthesis and characterization of nanocrystalline polyhedral oligo silsesquioxanes (POSS) with cross-linkable functionalities. in Polyhedron. 2019;171:299-304.
doi:10.1016/j.poly.2019.06.059 .
Tomić, Nataša, Vuksanović, Marija M., Đokić, Veljko, Mitrić, Miodrag, Simić, Milena R., Pavlović, Vladimir B., Jančić-Heinemann, Radmila, Marinković, Aleksandar, "Synthesis and characterization of nanocrystalline polyhedral oligo silsesquioxanes (POSS) with cross-linkable functionalities" in Polyhedron, 171 (2019):299-304,
https://doi.org/10.1016/j.poly.2019.06.059 . .
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Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study

Assaleh, Mohamed H.; Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Milošević, Milena D.; Simić, Milena R.; Marinković, Aleksandar; Cvijetić, Ilija

(Springer/Plenum Publishers, New York, 2019)

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4147
AB  - Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH.). The appearance of thiolic -SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study
EP  - 2457
IS  - 6
SP  - 2447
VL  - 30
DO  - 10.1007/s11224-019-01371-4
ER  - 
@article{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar and Cvijetić, Ilija",
year = "2019",
abstract = "Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH.). The appearance of thiolic -SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study",
pages = "2457-2447",
number = "6",
volume = "30",
doi = "10.1007/s11224-019-01371-4"
}
Assaleh, M. H., Božić, A. R., Bjelogrlić, S. K., Milošević, M. D., Simić, M. R., Marinković, A.,& Cvijetić, I.. (2019). Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry
Springer/Plenum Publishers, New York., 30(6), 2447-2457.
https://doi.org/10.1007/s11224-019-01371-4
Assaleh MH, Božić AR, Bjelogrlić SK, Milošević MD, Simić MR, Marinković A, Cvijetić I. Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry. 2019;30(6):2447-2457.
doi:10.1007/s11224-019-01371-4 .
Assaleh, Mohamed H., Božić, Aleksandra R., Bjelogrlić, Snežana K., Milošević, Milena D., Simić, Milena R., Marinković, Aleksandar, Cvijetić, Ilija, "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study" in Structural Chemistry, 30, no. 6 (2019):2447-2457,
https://doi.org/10.1007/s11224-019-01371-4 . .
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Oak acorn, polyphenols and antioxidant activity in functional food

Rakić, Sveto; Povrenović, Dragan; Tešević, Vele; Simić, Milena R.; Maletić, Radojka

(Elsevier Sci Ltd, Oxford, 2006)

TY  - JOUR
AU  - Rakić, Sveto
AU  - Povrenović, Dragan
AU  - Tešević, Vele
AU  - Simić, Milena R.
AU  - Maletić, Radojka
PY  - 2006
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/908
AB  - In this paper, are presented the results of physical and chemical investigations of differently treated samples of oak acorn. The aim of this investigation is to estimate the influence of thermal treatment on physical and nutritive characteristics of investigated samples. Oak acorn, Quercus robur, (belonging to Fagaceae family) was investigated in native and thermally treated forms. By subsequent extraction of dry toasted oak acorn (Quercus semen tostum) the aqueous extract was obtained which is then dried in a spout-fluid bed. The content of total polyphenols, then polyphenols unadsorbed on hide powder and tannins was determined by spectrophotometric methods with phosphor-wolfram acid according to Ph. Yug. V. Galic acid was determined by HPLC. The total antioxidant activity (TAA) of the aqueous extract compared to the control samples of pigs fat and synthetic antioxidant butylated hydroxyanisole BHA was estimated by Schall-Oven test at 60 +/- 1 degrees C in dark, and oxidative changes were determined by measuring the Peroxide value (PV). For determination of macro- and microelements the method of AAS was used. By detecting the changes of PV it is established that aqueous extract was influencing the stability of pigs fat, that is, showing the antioxidant activity. The activity was increasing with increasing concentration in tested samples. The obtained results regarding the total polyphenols content, the content of galic acid, nitrogen compounds, macro and microelements show that acorn, after treatment, was retaining and in some cases improving its functional properties.
PB  - Elsevier Sci Ltd, Oxford
T2  - Journal of Food Engineering
T1  - Oak acorn, polyphenols and antioxidant activity in functional food
EP  - 423
IS  - 3
SP  - 416
VL  - 74
DO  - 10.1016/j.jfoodeng.2005.03.057
ER  - 
@article{
author = "Rakić, Sveto and Povrenović, Dragan and Tešević, Vele and Simić, Milena R. and Maletić, Radojka",
year = "2006",
abstract = "In this paper, are presented the results of physical and chemical investigations of differently treated samples of oak acorn. The aim of this investigation is to estimate the influence of thermal treatment on physical and nutritive characteristics of investigated samples. Oak acorn, Quercus robur, (belonging to Fagaceae family) was investigated in native and thermally treated forms. By subsequent extraction of dry toasted oak acorn (Quercus semen tostum) the aqueous extract was obtained which is then dried in a spout-fluid bed. The content of total polyphenols, then polyphenols unadsorbed on hide powder and tannins was determined by spectrophotometric methods with phosphor-wolfram acid according to Ph. Yug. V. Galic acid was determined by HPLC. The total antioxidant activity (TAA) of the aqueous extract compared to the control samples of pigs fat and synthetic antioxidant butylated hydroxyanisole BHA was estimated by Schall-Oven test at 60 +/- 1 degrees C in dark, and oxidative changes were determined by measuring the Peroxide value (PV). For determination of macro- and microelements the method of AAS was used. By detecting the changes of PV it is established that aqueous extract was influencing the stability of pigs fat, that is, showing the antioxidant activity. The activity was increasing with increasing concentration in tested samples. The obtained results regarding the total polyphenols content, the content of galic acid, nitrogen compounds, macro and microelements show that acorn, after treatment, was retaining and in some cases improving its functional properties.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Journal of Food Engineering",
title = "Oak acorn, polyphenols and antioxidant activity in functional food",
pages = "423-416",
number = "3",
volume = "74",
doi = "10.1016/j.jfoodeng.2005.03.057"
}
Rakić, S., Povrenović, D., Tešević, V., Simić, M. R.,& Maletić, R.. (2006). Oak acorn, polyphenols and antioxidant activity in functional food. in Journal of Food Engineering
Elsevier Sci Ltd, Oxford., 74(3), 416-423.
https://doi.org/10.1016/j.jfoodeng.2005.03.057
Rakić S, Povrenović D, Tešević V, Simić MR, Maletić R. Oak acorn, polyphenols and antioxidant activity in functional food. in Journal of Food Engineering. 2006;74(3):416-423.
doi:10.1016/j.jfoodeng.2005.03.057 .
Rakić, Sveto, Povrenović, Dragan, Tešević, Vele, Simić, Milena R., Maletić, Radojka, "Oak acorn, polyphenols and antioxidant activity in functional food" in Journal of Food Engineering, 74, no. 3 (2006):416-423,
https://doi.org/10.1016/j.jfoodeng.2005.03.057 . .
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