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Претрага радова објављених у периоду (2019-2022):
261.
Popa, A; Borcanescu, S; Holclajtner-Antunović, I; Bajuk-Bogdanović, D; Uskoković-Marković, S
Preparation and characterisation of amino-functionalized pore-expanded mesoporous silica for carbon dioxide capture Journal Article
In: Journal of Porous Materials, 2020.
@article{Popa2020,
title = {Preparation and characterisation of amino-functionalized pore-expanded mesoporous silica for carbon dioxide capture},
author = {A Popa and S Borcanescu and I Holclajtner-Antunović and D Bajuk-Bogdanović and S Uskoković-Marković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85090145787&doi=10.1007%2fs10934-020-00974-1&partnerID=40&md5=54b7bd1da07271c501d744cc45d6da6d},
doi = {10.1007/s10934-020-00974-1},
year = {2020},
date = {2020-01-01},
journal = {Journal of Porous Materials},
abstract = {In this study, the preparation of some large-pore ordered mesoporous silicas using a proper surfactant with different swelling agents was carried out. The synthesis of conventional SBA-15 was modified to obtain pore-expanded materials, with pore diameters up to 10 nm. To use a micelle swelling agent with a moderate swelling ability, three swelling agents were selected: 1-phenyl-decane (Dec), butyl benzene (BB), and mesitylene (Mes). These syntheses aimed to achieve a pore diameter enlargement but at the same time to avoid the formation of heterogeneous and/or poorly defined nanostructure of silica. The CO2 adsorbents were obtained by post-synthesis functionalization treatments carried out by grafting with 3-aminopropyl triethoxysilane. The CO2 adsorption/desorption experiments showed that carbon dioxide sorption capacities depend on the textural characteristics and the temperature used for the adsorption process. Good CO2 adsorption capacities were obtained for all prepared adsorbents, especially for SSBA-15-Mes-sil and SSBA-15-BB-sil samples. At 50 °C, the SSBA-15-Mes-sil sample has an adsorption capacity of 3.58 mmol CO2/g SiO2, and an efficiency of amino groups of 0.99 mmol CO2/mmol NH2. The results of adsorption capacities are comparable or even superior with the ones reported in literature for mesoporous silica functionalized with different amines. After nine adsorption–desorption cycles, the performance of the SSBA-15-Mes-sil adsorbent is relatively stable, with a low decrease in the adsorption capacity (0.1 mmol/g of CO2, i.e., 2.8% of initial capacity). These studies show the potential of mesoporous silica for carbon dioxide capture. © 2020, Springer Science+Business Media, LLC, part of Springer Nature.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this study, the preparation of some large-pore ordered mesoporous silicas using a proper surfactant with different swelling agents was carried out. The synthesis of conventional SBA-15 was modified to obtain pore-expanded materials, with pore diameters up to 10 nm. To use a micelle swelling agent with a moderate swelling ability, three swelling agents were selected: 1-phenyl-decane (Dec), butyl benzene (BB), and mesitylene (Mes). These syntheses aimed to achieve a pore diameter enlargement but at the same time to avoid the formation of heterogeneous and/or poorly defined nanostructure of silica. The CO2 adsorbents were obtained by post-synthesis functionalization treatments carried out by grafting with 3-aminopropyl triethoxysilane. The CO2 adsorption/desorption experiments showed that carbon dioxide sorption capacities depend on the textural characteristics and the temperature used for the adsorption process. Good CO2 adsorption capacities were obtained for all prepared adsorbents, especially for SSBA-15-Mes-sil and SSBA-15-BB-sil samples. At 50 °C, the SSBA-15-Mes-sil sample has an adsorption capacity of 3.58 mmol CO2/g SiO2, and an efficiency of amino groups of 0.99 mmol CO2/mmol NH2. The results of adsorption capacities are comparable or even superior with the ones reported in literature for mesoporous silica functionalized with different amines. After nine adsorption–desorption cycles, the performance of the SSBA-15-Mes-sil adsorbent is relatively stable, with a low decrease in the adsorption capacity (0.1 mmol/g of CO2, i.e., 2.8% of initial capacity). These studies show the potential of mesoporous silica for carbon dioxide capture. © 2020, Springer Science+Business Media, LLC, part of Springer Nature.
262.
Kalijadis, A; Gavrilov, N; Jokić, B; Gilić, M; Krstić, A; Pašti, I; Babić, B
Composition, structure and potential energy application of nitrogen doped carbon cryogels Journal Article
In: Materials Chemistry and Physics, 239 , 2020.
@article{Kalijadis2020,
title = {Composition, structure and potential energy application of nitrogen doped carbon cryogels},
author = {A Kalijadis and N Gavrilov and B Jokić and M Gilić and A Krstić and I Pašti and B Babić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072025175&doi=10.1016%2fj.matchemphys.2019.122120&partnerID=40&md5=596fb20373556913e06eff7d52dffe6c},
doi = {10.1016/j.matchemphys.2019.122120},
year = {2020},
date = {2020-01-01},
journal = {Materials Chemistry and Physics},
volume = {239},
abstract = {Resorcinol–formaldehyde (RF) cryogels were synthesized by sol–gel polycondensation of resorcinol with formaldehyde and freeze-drying was carried out with t-butanol. Carbon cryogel (CC) was obtained by pyrolyzing RF cryogels in an inert atmosphere to 950 °C. Nitrogen doped CCs (CCN) were synthesized by introducing melamine into RF precursor mixture solution to obtain nitrogen concentration 2, 6 and 10 wt.%. Material was characterized by elemental analysis, nitrogen adsorption– desorption measurements, scanning electron microscopy (SEM), Raman spectroscopy, FT-IR Spectroscopy. Cyclic voltammetry (CV) was used to investigate capacitive and electrocatalytic properties. Conductivity measurement was also performed. Elemental analysis results confirmed presence of nitrogen in CCN samples in the range from 0.45 to 1.15 wt.%. Raman spectroscopy of the samples showed increase of D and G peak integrated intensity ratio (ID/IG) with nitrogen doping suggesting that the structural disorder as well as edge plane density increase, but according to similar ID/IG values for CCN samples, their share is not directly related to the amount of incorporated N. Characterization by nitrogen adsorption showed that overall specific surface and maximum mesopores are achieved in CCN sample with medium nitrogen concentration. Results of cyclic voltammetry experiments demonstrated maximum capacitance for CCN sample with smallest N wt.% indicating that narrow pore size distribution and high specific surface area are dominant factors to achieve good capacitive behavior. The relatively low doping level of nitrogen reached in CCN samples may be the reason for the incomplete reduction of oxygen to hydroxide and furthermore it turned out that presence of N in the structure of CC had a negligible effect on the otherwise relatively high conductivity of CC. © 2019 Elsevier B.V.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Resorcinol–formaldehyde (RF) cryogels were synthesized by sol–gel polycondensation of resorcinol with formaldehyde and freeze-drying was carried out with t-butanol. Carbon cryogel (CC) was obtained by pyrolyzing RF cryogels in an inert atmosphere to 950 °C. Nitrogen doped CCs (CCN) were synthesized by introducing melamine into RF precursor mixture solution to obtain nitrogen concentration 2, 6 and 10 wt.%. Material was characterized by elemental analysis, nitrogen adsorption– desorption measurements, scanning electron microscopy (SEM), Raman spectroscopy, FT-IR Spectroscopy. Cyclic voltammetry (CV) was used to investigate capacitive and electrocatalytic properties. Conductivity measurement was also performed. Elemental analysis results confirmed presence of nitrogen in CCN samples in the range from 0.45 to 1.15 wt.%. Raman spectroscopy of the samples showed increase of D and G peak integrated intensity ratio (ID/IG) with nitrogen doping suggesting that the structural disorder as well as edge plane density increase, but according to similar ID/IG values for CCN samples, their share is not directly related to the amount of incorporated N. Characterization by nitrogen adsorption showed that overall specific surface and maximum mesopores are achieved in CCN sample with medium nitrogen concentration. Results of cyclic voltammetry experiments demonstrated maximum capacitance for CCN sample with smallest N wt.% indicating that narrow pore size distribution and high specific surface area are dominant factors to achieve good capacitive behavior. The relatively low doping level of nitrogen reached in CCN samples may be the reason for the incomplete reduction of oxygen to hydroxide and furthermore it turned out that presence of N in the structure of CC had a negligible effect on the otherwise relatively high conductivity of CC. © 2019 Elsevier B.V.
263.
Etinski, M; Stanković, I M; Puthenkalathil, R C; Ensing, B
A DFT study of structure and electrochemical properties of diiron-hydrogenase models with benzenedithiolato and benzenediselenato ligands Journal Article
In: New Journal of Chemistry, 44 (3), pp. 932-941, 2020.
@article{Etinski2020932,
title = {A DFT study of structure and electrochemical properties of diiron-hydrogenase models with benzenedithiolato and benzenediselenato ligands},
author = {M Etinski and I M Stanković and R C Puthenkalathil and B Ensing},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85078439931&doi=10.1039%2fc9nj04887a&partnerID=40&md5=8c473dac752adddfa88fce96aaad8ec5},
doi = {10.1039/c9nj04887a},
year = {2020},
date = {2020-01-01},
journal = {New Journal of Chemistry},
volume = {44},
number = {3},
pages = {932-941},
abstract = {The diiron benzenedithiolato carbonyl complex is a biomimetic catalyst for proton reduction whose catalytic pathways depend on the solvent properties and the proton donor acidity. Previous studies showed that the initial steps in electrocatalytic generation of dihydrogen in acetonitrile involve a two-electron reduction followed by protonation, but the structures and physical properties of other intermediates are not known. We have performed a systematic quantum chemical analysis of the reduced and protonated complexes with benzenedithiolato and benzenediselenato ligands that can be formed by addition of up to three electrons and/or protons. The exchange of the sulfur atoms by selenium increases the basicity of the iron atoms but is not favorable for the protonation of the chalcogen atoms. Our results show that the most stable singly protonated complexes possess the proton in a bridging position between both irons, irrespective of the total complex charge. The second proton can be attached to a chalcogen atom or to an iron atom in a terminal position, depending on the complex charge. The most stable isomers of the triply protonated complexes have protons in the bridging and terminal positions as well as one proton bound to a chalcogen atom. Standard reduction potentials and acidities of all examined complexes were computed. We also discussed possible intermediates and reaction pathways in the electrocatalytic proton reduction to molecular hydrogen formation. © 2020 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The diiron benzenedithiolato carbonyl complex is a biomimetic catalyst for proton reduction whose catalytic pathways depend on the solvent properties and the proton donor acidity. Previous studies showed that the initial steps in electrocatalytic generation of dihydrogen in acetonitrile involve a two-electron reduction followed by protonation, but the structures and physical properties of other intermediates are not known. We have performed a systematic quantum chemical analysis of the reduced and protonated complexes with benzenedithiolato and benzenediselenato ligands that can be formed by addition of up to three electrons and/or protons. The exchange of the sulfur atoms by selenium increases the basicity of the iron atoms but is not favorable for the protonation of the chalcogen atoms. Our results show that the most stable singly protonated complexes possess the proton in a bridging position between both irons, irrespective of the total complex charge. The second proton can be attached to a chalcogen atom or to an iron atom in a terminal position, depending on the complex charge. The most stable isomers of the triply protonated complexes have protons in the bridging and terminal positions as well as one proton bound to a chalcogen atom. Standard reduction potentials and acidities of all examined complexes were computed. We also discussed possible intermediates and reaction pathways in the electrocatalytic proton reduction to molecular hydrogen formation. © 2020 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.
264.
Anićijević, V J; Lazarević-Pašti, T D
Organophosphates: Application, effects on human health and removal Book
2020.
@book{Anićijević20201,
title = {Organophosphates: Application, effects on human health and removal},
author = {V J Anićijević and T D Lazarević-Pašti},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096266289&partnerID=40&md5=5d860aeee9264687d970881bd8b22a97},
year = {2020},
date = {2020-01-01},
journal = {Organophosphate Pesticides},
pages = {1-42},
abstract = {Organophosphates (OPs) are widely used nowadays. They are applied as pesticides, drugs or chemical warfare agents. Their acute toxicity is ascribed to the inhibition of acetylcholinesterase (AChE), a key enzyme in the transmission of nerve impulses in mammals. The mentioned toxic effect is manifested by the accumulation of acetylcholine and can lead to severe neurological disorders, paralysis or death. Besides, chronic exposure to organophosphates is connected with depression and cancer development in mammals. OPs poisoning therapy is based on the application of specific antidotes as well as non-specific and symptomatic procedures. In this contribution, recent achievements concerning the protection from OPs activity and an overview of the methods for their removal from the environment and decontamination of contaminated persons were presented. The new findings regarding the involvement of organophosphates in cancer development are reviewed. Also, attention was paid on the connection between OPs and clinical depression – the link insufficiently investigated and described in the literature. © 2020 Nova Science Publishers, Inc.},
keywords = {},
pubstate = {published},
tppubtype = {book}
}
Organophosphates (OPs) are widely used nowadays. They are applied as pesticides, drugs or chemical warfare agents. Their acute toxicity is ascribed to the inhibition of acetylcholinesterase (AChE), a key enzyme in the transmission of nerve impulses in mammals. The mentioned toxic effect is manifested by the accumulation of acetylcholine and can lead to severe neurological disorders, paralysis or death. Besides, chronic exposure to organophosphates is connected with depression and cancer development in mammals. OPs poisoning therapy is based on the application of specific antidotes as well as non-specific and symptomatic procedures. In this contribution, recent achievements concerning the protection from OPs activity and an overview of the methods for their removal from the environment and decontamination of contaminated persons were presented. The new findings regarding the involvement of organophosphates in cancer development are reviewed. Also, attention was paid on the connection between OPs and clinical depression – the link insufficiently investigated and described in the literature. © 2020 Nova Science Publishers, Inc.
265.
Milakin, K A; Gavrilov, N; Pašti, I A; Trchová, M; Zasońska, B A; Stejskal, J; Bober, P
Carbon materials derived from poly(aniline-co-p-phenylenediamine) cryogels Journal Article
In: Polymers, 12 (1), 2020.
@article{Milakin2020b,
title = {Carbon materials derived from poly(aniline-co-p-phenylenediamine) cryogels},
author = {K A Milakin and N Gavrilov and I A Pašti and M Trchová and B A Zasońska and J Stejskal and P Bober},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85078455370&doi=10.3390%2fpolym12010011&partnerID=40&md5=8fa429131a2ae440a59356f080bda1e6},
doi = {10.3390/polym12010011},
year = {2020},
date = {2020-01-01},
journal = {Polymers},
volume = {12},
number = {1},
abstract = {Nitrogen-containing carbon derivatives were prepared by the carbonization of poly(aniline-co-p-phenylenediamine) cryogels in inert atmosphere. Lower aniline fraction in the comonomer mixture used for preparation of the cryogels led to the decrease of their thermal stability, a consequent increase of carbonization degree, and less defective structure of carbonized materials. The resulting carbonaceous products had up to 4 orders of magnitude higher specific surface area than their respective cryogel precursors, the highest value 931 m2 g-1 being achieved for carbonized poly(p-phenylenediamine) cryogel. Electrochemical characterization of the carbon derivatives demonstrated that the decrease in aniline concentration during the synthesis of the precursor cryogels led to higher gravimetric capacitance for corresponding carbonized materials. These materials can potentially be used for energy storage applications. © 2019 by the authors.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Nitrogen-containing carbon derivatives were prepared by the carbonization of poly(aniline-co-p-phenylenediamine) cryogels in inert atmosphere. Lower aniline fraction in the comonomer mixture used for preparation of the cryogels led to the decrease of their thermal stability, a consequent increase of carbonization degree, and less defective structure of carbonized materials. The resulting carbonaceous products had up to 4 orders of magnitude higher specific surface area than their respective cryogel precursors, the highest value 931 m2 g-1 being achieved for carbonized poly(p-phenylenediamine) cryogel. Electrochemical characterization of the carbon derivatives demonstrated that the decrease in aniline concentration during the synthesis of the precursor cryogels led to higher gravimetric capacitance for corresponding carbonized materials. These materials can potentially be used for energy storage applications. © 2019 by the authors.
266.
Nešović, M; Gašić, U; Tosti, T; Trifković, J; Baošić, R; Blagojević, S; Ignjatović, L; Tešić, Ž
Physicochemical analysis and phenolic profile of polyfloral and honeydew honey from Montenegro Journal Article
In: RSC Advances, 10 (5), pp. 2462-2471, 2020.
@article{Nešović20202462,
title = {Physicochemical analysis and phenolic profile of polyfloral and honeydew honey from Montenegro},
author = {M Nešović and U Gašić and T Tosti and J Trifković and R Baošić and S Blagojević and L Ignjatović and Ž Tešić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85078301815&doi=10.1039%2fc9ra08783d&partnerID=40&md5=062c3793431500531ed017d9d351ac6f},
doi = {10.1039/c9ra08783d},
year = {2020},
date = {2020-01-01},
journal = {RSC Advances},
volume = {10},
number = {5},
pages = {2462-2471},
abstract = {The research subject of this paper was a detail physicochemical analysis of 28 honey samples from the northern part of Montenegro. The honey from Montenegro has not been previously studied in such detail. Differentiation between samples, such as honeydew honey and polyfloral honey, was based on electrical conductivity, which was higher than 0.8 mS cm-1 for honeydew honey, as was expected. Other investigated physicochemical parameters (water content, free acids, diastase activity, hydroxymethylfurfural (HMF) content and sugar content) have shown great similarity for all honey samples. The main interest of this study was the identification and quantification of phenolic compounds using ultra-high performance liquid chromatography (UHPLC) with mass spectrometry detection. The results show that honey samples are very rich in phenolic compounds, especially quercetin. Among the 31 quantified phenolic compounds, the most dominant were phenolic acids. The highlight was based on p-hydroxybenzoic acid, p-coumaric acid, caffeic acid and ferulic acid. Considering polyphenolic compounds and sugar content, a high nutritional value can be observed in all samples, with an emphasis on polyfloral honeys, as was confirmed with principal component analysis (PCA). In addition, all honey samples were tested for total phenolic content (TPC) and radical scavenging activity (RSA). The results indicate the higher antioxidant ability of honeys from Montenegro in comparison to some honey samples from other countries in the region. This journal is © The Royal Society of Chemistry.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The research subject of this paper was a detail physicochemical analysis of 28 honey samples from the northern part of Montenegro. The honey from Montenegro has not been previously studied in such detail. Differentiation between samples, such as honeydew honey and polyfloral honey, was based on electrical conductivity, which was higher than 0.8 mS cm-1 for honeydew honey, as was expected. Other investigated physicochemical parameters (water content, free acids, diastase activity, hydroxymethylfurfural (HMF) content and sugar content) have shown great similarity for all honey samples. The main interest of this study was the identification and quantification of phenolic compounds using ultra-high performance liquid chromatography (UHPLC) with mass spectrometry detection. The results show that honey samples are very rich in phenolic compounds, especially quercetin. Among the 31 quantified phenolic compounds, the most dominant were phenolic acids. The highlight was based on p-hydroxybenzoic acid, p-coumaric acid, caffeic acid and ferulic acid. Considering polyphenolic compounds and sugar content, a high nutritional value can be observed in all samples, with an emphasis on polyfloral honeys, as was confirmed with principal component analysis (PCA). In addition, all honey samples were tested for total phenolic content (TPC) and radical scavenging activity (RSA). The results indicate the higher antioxidant ability of honeys from Montenegro in comparison to some honey samples from other countries in the region. This journal is © The Royal Society of Chemistry.
267.
Radoičić, M; Ćirić-Marjanović, G; Miličević, D; Suljovrujić, E; Milošević, M; Jakovljević, J Kuljanin; Šaponjić, Z
Fine-tuning of conductive and dielectric properties of polypyrrole/TiO2 nanocomposite-coated polyamide fabric Journal Article
In: Composite Interfaces, 2020.
@article{Radoičić2020,
title = {Fine-tuning of conductive and dielectric properties of polypyrrole/TiO2 nanocomposite-coated polyamide fabric},
author = {M Radoičić and G Ćirić-Marjanović and D Miličević and E Suljovrujić and M Milošević and J Kuljanin Jakovljević and Z Šaponjić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089447238&doi=10.1080%2f09276440.2020.1805219&partnerID=40&md5=a1076e4c6b30b3e10c0db0837b8ec69a},
doi = {10.1080/09276440.2020.1805219},
year = {2020},
date = {2020-01-01},
journal = {Composite Interfaces},
abstract = {Structural, conductive and dielectric properties of hybrid Polypyrrole (PPy)-TiO2 nanocomposite-coated polyamide fabric (PA-PPy/TiO2) synthesized by in-situ oxidative polymerization of pyrrole on the surface of polyamide in the presence of colloidal TiO2 NPs (d ~ 4.5 nm) have been studied. Raman spectra confirmed salt form of PPy in both neat PPy and PPy/TiO2-coated PA fabric and indicated its complete coverage. SEM/EDX analysis confirmed presence of TiO2 NPs and changes in granular structure of PPy deposited on the surface of PA fiber depending on the amount of TiO2 NPs. The PA-PPy/TiO2 nanocomposite sample with lowest content of TiO2 NPs (6.79 At.% Ti) showed highest conductivity (~10−6 S/cm) and dissipation factor (tan δ) in the entire frequency range. The lowest amount of TiO2 NPs in the PA-PPy/TiO2 nanocomposite induced two to four orders of magnitude higher tan δ value, compared to neat PPy covered PA fabric, depending on the frequency range. Frequency dependence of real (ϵ′) and imaginary part (ϵ″) of the complex permittivity for neat PA and PPy/TiO2-coated PA fabrics follow the trend of changes in dissipation factor for the same TiO2 NPs concentrations. The presence of TiO2 NPs could be exploited for tuning the conductive and dielectric properties of a conductive layer. © 2020 Informa UK Limited, trading as Taylor & Francis Group.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Structural, conductive and dielectric properties of hybrid Polypyrrole (PPy)-TiO2 nanocomposite-coated polyamide fabric (PA-PPy/TiO2) synthesized by in-situ oxidative polymerization of pyrrole on the surface of polyamide in the presence of colloidal TiO2 NPs (d ~ 4.5 nm) have been studied. Raman spectra confirmed salt form of PPy in both neat PPy and PPy/TiO2-coated PA fabric and indicated its complete coverage. SEM/EDX analysis confirmed presence of TiO2 NPs and changes in granular structure of PPy deposited on the surface of PA fiber depending on the amount of TiO2 NPs. The PA-PPy/TiO2 nanocomposite sample with lowest content of TiO2 NPs (6.79 At.% Ti) showed highest conductivity (~10−6 S/cm) and dissipation factor (tan δ) in the entire frequency range. The lowest amount of TiO2 NPs in the PA-PPy/TiO2 nanocomposite induced two to four orders of magnitude higher tan δ value, compared to neat PPy covered PA fabric, depending on the frequency range. Frequency dependence of real (ϵ′) and imaginary part (ϵ″) of the complex permittivity for neat PA and PPy/TiO2-coated PA fabrics follow the trend of changes in dissipation factor for the same TiO2 NPs concentrations. The presence of TiO2 NPs could be exploited for tuning the conductive and dielectric properties of a conductive layer. © 2020 Informa UK Limited, trading as Taylor & Francis Group.
268.
Zang, L; Paven, M -C Morère-Le; Clochard, T; Porcher, A; Satour, P; Mojović, M; Vidović, M; Limami, A M; Montrichard, F
Nitrate inhibits primary root growth by reducing accumulation of reactive oxygen species in the root tip in Medicago truncatula Journal Article
In: Plant Physiology and Biochemistry, 146 , pp. 363-373, 2020.
@article{Zang2020363,
title = {Nitrate inhibits primary root growth by reducing accumulation of reactive oxygen species in the root tip in Medicago truncatula},
author = {L Zang and M -C Morère-Le Paven and T Clochard and A Porcher and P Satour and M Mojović and M Vidović and A M Limami and F Montrichard},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85075562315&doi=10.1016%2fj.plaphy.2019.11.006&partnerID=40&md5=8ce9220ea6bedb365cdc4b0f2655e7fa},
doi = {10.1016/j.plaphy.2019.11.006},
year = {2020},
date = {2020-01-01},
journal = {Plant Physiology and Biochemistry},
volume = {146},
pages = {363-373},
abstract = {In Medicago truncatula, nitrate, acting as a signal perceived by NITRATE TRANSPORTER1/PEPTIDE TRANSPORTER FAMILY 6.8 (MtNPF6.8), inhibits primary root growth through a reduction of root cell elongation. Since reactive oxygen species (ROS) produced and converted in root tip (O2 •− → H2O2 → •OH) have been reported to control cell elongation, the impact of nitrate on the distribution of these ROS in the primary root of M. truncatula was analyzed. We found that nitrate reduced the content of O2 •−, H2O2 and •OH in the root tip of three wild type genotypes sensitive to nitrate (R108, DZA, A17), inhibition of root growth and O2 •− accumulation being highly correlated. Nitrate also modified the capacity of R108 root tip to produce or remove ROS. The ROS content decrease observed in R108 in response to nitrate is linked to changes in peroxidase activity (EC1.11.1.7) with an increase in peroxidative activity that scavenge H2O2 and a decrease in hydroxylic activity that converts H2O2 into •OH. These changes impair the accumulation of H2O2 and then the accumulation of •OH, the species responsible for cell wall loosening and cell elongation. Accordingly, nitrate inhibitory effect was abolished by externally added H2O2 or mimicked by KI, an H2O2 scavenger. In contrast, nitrate has no effect on ROS production or removal capacities in npf6.8-2, a knockdown line insensitive to nitrate, affected in the nitrate transporter MtNPF6.8 (in R108 background) by RNAi. Altogether, our data show that ROS are mediators acting downstream of MtNPF6.8 in the nitrate signaling pathway. © 2019 Elsevier Masson SAS},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In Medicago truncatula, nitrate, acting as a signal perceived by NITRATE TRANSPORTER1/PEPTIDE TRANSPORTER FAMILY 6.8 (MtNPF6.8), inhibits primary root growth through a reduction of root cell elongation. Since reactive oxygen species (ROS) produced and converted in root tip (O2 •− → H2O2 → •OH) have been reported to control cell elongation, the impact of nitrate on the distribution of these ROS in the primary root of M. truncatula was analyzed. We found that nitrate reduced the content of O2 •−, H2O2 and •OH in the root tip of three wild type genotypes sensitive to nitrate (R108, DZA, A17), inhibition of root growth and O2 •− accumulation being highly correlated. Nitrate also modified the capacity of R108 root tip to produce or remove ROS. The ROS content decrease observed in R108 in response to nitrate is linked to changes in peroxidase activity (EC1.11.1.7) with an increase in peroxidative activity that scavenge H2O2 and a decrease in hydroxylic activity that converts H2O2 into •OH. These changes impair the accumulation of H2O2 and then the accumulation of •OH, the species responsible for cell wall loosening and cell elongation. Accordingly, nitrate inhibitory effect was abolished by externally added H2O2 or mimicked by KI, an H2O2 scavenger. In contrast, nitrate has no effect on ROS production or removal capacities in npf6.8-2, a knockdown line insensitive to nitrate, affected in the nitrate transporter MtNPF6.8 (in R108 background) by RNAi. Altogether, our data show that ROS are mediators acting downstream of MtNPF6.8 in the nitrate signaling pathway. © 2019 Elsevier Masson SAS
269.
Surla, R; Mitrović, N; Vasić, M; Minić, D
The inverted hysteresis loops and exchange bias effects in amorphous/nanocrystalline fe72cu1v4si15b8 ribbons at room temperature Journal Article
In: Science of Sintering, 52 (3), pp. 283-298, 2020.
@article{Surla2020283,
title = {The inverted hysteresis loops and exchange bias effects in amorphous/nanocrystalline fe72cu1v4si15b8 ribbons at room temperature},
author = {R Surla and N Mitrović and M Vasić and D Minić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85097595770&doi=10.2298%2fSOS2003283S&partnerID=40&md5=aac55de05ed316f322ecf6b2e3b932bd},
doi = {10.2298/SOS2003283S},
year = {2020},
date = {2020-01-01},
journal = {Science of Sintering},
volume = {52},
number = {3},
pages = {283-298},
abstract = {Тhe influence of thermally induced microstructural transformations on magnetic properties of Fe72Cu1V4Si15B8 ribbon with combined amorphous/nanocrystalline structure is presented. The experiments showed that thermally induced structural changes are in correlation with the appearance of magnetic hysteresis, i.e. with inverted hysteresis loops (IHL) and exchange bias (EB) effects. It was found that the ratio of surface to volume of a ribbon sample have an influence on hysteresis loop appearance. The inverted hysteresis loops were observed for the 1.5 mm wide and 55 μm thick alloy samples shorter than 10 mm, but for the samples longer than 10 mm hysteresis loops were normal. With an increase of annealing temperature, a shift of the hysteresis loops measured at room temperature was noticed. The highest positive exchange bias field Heb was observed for the sample annealed at 723 K, together with the lowest magnetic field at which the changes from inverted to normal hysteresis loop occurred. Annealing at the temperature of 823 K resulted in negative Heb. © 2020 Authors. Published by association for ETRAN Society.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Тhe influence of thermally induced microstructural transformations on magnetic properties of Fe72Cu1V4Si15B8 ribbon with combined amorphous/nanocrystalline structure is presented. The experiments showed that thermally induced structural changes are in correlation with the appearance of magnetic hysteresis, i.e. with inverted hysteresis loops (IHL) and exchange bias (EB) effects. It was found that the ratio of surface to volume of a ribbon sample have an influence on hysteresis loop appearance. The inverted hysteresis loops were observed for the 1.5 mm wide and 55 μm thick alloy samples shorter than 10 mm, but for the samples longer than 10 mm hysteresis loops were normal. With an increase of annealing temperature, a shift of the hysteresis loops measured at room temperature was noticed. The highest positive exchange bias field Heb was observed for the sample annealed at 723 K, together with the lowest magnetic field at which the changes from inverted to normal hysteresis loop occurred. Annealing at the temperature of 823 K resulted in negative Heb. © 2020 Authors. Published by association for ETRAN Society.
270.
Jovanović, Z; Mravik, Ž; Bajuk-Bogdanović, D; Jovanović, S; Marković, S; Vujković, M; Kovač, J; Vengust, D; Uskoković-Marković, S; Holclajtner-Antunović, I
Self-limiting interactions in 2D–0D system: A case study of graphene oxide and 12-tungstophosphoric acid nanocomposite Journal Article
In: Carbon, 156 , pp. 166-178, 2020.
@article{Jovanović2020166,
title = {Self-limiting interactions in 2D–0D system: A case study of graphene oxide and 12-tungstophosphoric acid nanocomposite},
author = {Z Jovanović and Ž Mravik and D Bajuk-Bogdanović and S Jovanović and S Marković and M Vujković and J Kovač and D Vengust and S Uskoković-Marković and I Holclajtner-Antunović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072633199&doi=10.1016%2fj.carbon.2019.09.072&partnerID=40&md5=accbc69d0979157430eca088dbf0954b},
doi = {10.1016/j.carbon.2019.09.072},
year = {2020},
date = {2020-01-01},
journal = {Carbon},
volume = {156},
pages = {166-178},
abstract = {In the present study we investigated the interaction between 12-tungstophosphoric acid (WPA) and graphene oxide (GO) in their nanocomposite by utilizing the loading of WPA as an intrinsic parameter for interaction tuning. The Fourier-transform infrared spectroscopy, temperature-programmed desorption, X-ray photoelectron spectroscopy, zeta-potential measurements, thermogravimetric analysis, X-ray diffraction, Raman spectroscopy and transmission electron microscopy methods revealed that ∼5–13 wt% of WPA represents critical loading that separates two distinct contributions to GO-WPA interaction. This was explained by the self-limiting nature of GO-WPA interaction, initially controlled by high dispersion of WPA on GO (up to 13 wt%), that is eventually overpowered by WPA-WPA interaction as loading increases. As a result, the WPA agglomerates are being formed because of which the hybrid character of the nanocomposite diminishes, i.e., the properties of independent components start to be manifested to greater extent. The obtained results provide an important framework for considering possible outcomes in other 2D-0D systems, whose interaction is relevant both from fundamental and applicative point of view. Thus, the GO/WPA nanocomposite illustrates how the interactions between the components can be used for tuning the properties of nanocomposite as a whole. © 2019 Elsevier Ltd},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the present study we investigated the interaction between 12-tungstophosphoric acid (WPA) and graphene oxide (GO) in their nanocomposite by utilizing the loading of WPA as an intrinsic parameter for interaction tuning. The Fourier-transform infrared spectroscopy, temperature-programmed desorption, X-ray photoelectron spectroscopy, zeta-potential measurements, thermogravimetric analysis, X-ray diffraction, Raman spectroscopy and transmission electron microscopy methods revealed that ∼5–13 wt% of WPA represents critical loading that separates two distinct contributions to GO-WPA interaction. This was explained by the self-limiting nature of GO-WPA interaction, initially controlled by high dispersion of WPA on GO (up to 13 wt%), that is eventually overpowered by WPA-WPA interaction as loading increases. As a result, the WPA agglomerates are being formed because of which the hybrid character of the nanocomposite diminishes, i.e., the properties of independent components start to be manifested to greater extent. The obtained results provide an important framework for considering possible outcomes in other 2D-0D systems, whose interaction is relevant both from fundamental and applicative point of view. Thus, the GO/WPA nanocomposite illustrates how the interactions between the components can be used for tuning the properties of nanocomposite as a whole. © 2019 Elsevier Ltd
271.
Amić, A; Milenković, D; Marković, J D; Marković, Z
Do Equol's C-ring hydrogens contribute to free radical scavenging? Journal Article
In: Journal of the Serbian Society for Computational Mechanics, (SpecialIssue), pp. 45-58, 2020.
@article{Amić202045,
title = {Do Equol's C-ring hydrogens contribute to free radical scavenging?},
author = {A Amić and D Milenković and J D Marković and Z Marković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089280159&doi=10.24874%2fjsscm.2020.01.05&partnerID=40&md5=3f066f4d6e6d40ddf7ec993e9a06f4ed},
doi = {10.24874/jsscm.2020.01.05},
year = {2020},
date = {2020-01-01},
journal = {Journal of the Serbian Society for Computational Mechanics},
number = {SpecialIssue},
pages = {45-58},
abstract = {Free radical scavenging potency of physiologically active equol molecule, derived by gut microbiota from soy isoflavone daidzein, was investigated by using M06-2X/6-311++G(d, p) level of theory, accompanied with the TST and Eckart tunneling corrections for the estimation of rate constants. Phenolic hydrogens of equol are recognized as much more abstractable than C-ring hydrogens. This finding is opposite to the one very recently suggested, but in accordance with well-known facts related to the flavonoid chemistry and phenolic O-H vs C-H reactivity. © 2020, Serbian Society of Computational Mechanics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Free radical scavenging potency of physiologically active equol molecule, derived by gut microbiota from soy isoflavone daidzein, was investigated by using M06-2X/6-311++G(d, p) level of theory, accompanied with the TST and Eckart tunneling corrections for the estimation of rate constants. Phenolic hydrogens of equol are recognized as much more abstractable than C-ring hydrogens. This finding is opposite to the one very recently suggested, but in accordance with well-known facts related to the flavonoid chemistry and phenolic O-H vs C-H reactivity. © 2020, Serbian Society of Computational Mechanics.
272.
Milanović, Z; Dimić, D; Marković, J D; Stanojević-Pirković, M; Avdović, E; Marković, Z
The interaction of protonated octopamine and norepinephrine with β1-adrenergic receptor: Molecular docking and dynamical simulation Journal Article
In: Journal of the Serbian Society for Computational Mechanics, (SpecialIssue), pp. 13-25, 2020.
@article{Milanović202013,
title = {The interaction of protonated octopamine and norepinephrine with β1-adrenergic receptor: Molecular docking and dynamical simulation},
author = {Z Milanović and D Dimić and J D Marković and M Stanojević-Pirković and E Avdović and Z Marković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089266867&doi=10.24874%2fjsscm.2020.01.02&partnerID=40&md5=c2df85d50ee5982e5075a456c0fa2845},
doi = {10.24874/jsscm.2020.01.02},
year = {2020},
date = {2020-01-01},
journal = {Journal of the Serbian Society for Computational Mechanics},
number = {SpecialIssue},
pages = {13-25},
abstract = {In the current study, the interaction mechanisms between protonated neurotransmitters: octopamine (4-(2-amino-1-hydroxyethyl)phenol) and norepinephrine (4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol) with the β-1 adrenergic receptor (β1AR) were examined by molecular docking, molecular dynamics (MD) simulations and MM/PBSA free energy calculations. The investigated receptor belongs to the G-protein coupled receptor group. The investigation was carried out at physiological pH=7.4. It was estimated that both compounds exist in the protonated form in the water at physiological pH. It was found that both protonated neurotransmitters established similar interactions with amino acid residues of the receptor, such as salt bridges, conventional hydrogen bonds, π-σ, and T-shaped π-π interactions, as shown by molecular docking simulations. As the initial structures for MD simulation with a total time of 10ns the most stable docking structures were used. The presented results are expected to provide some useful information for the design of specific β1AR agonists. © 2020, Serbian Society of Computational Mechanics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the current study, the interaction mechanisms between protonated neurotransmitters: octopamine (4-(2-amino-1-hydroxyethyl)phenol) and norepinephrine (4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol) with the β-1 adrenergic receptor (β1AR) were examined by molecular docking, molecular dynamics (MD) simulations and MM/PBSA free energy calculations. The investigated receptor belongs to the G-protein coupled receptor group. The investigation was carried out at physiological pH=7.4. It was estimated that both compounds exist in the protonated form in the water at physiological pH. It was found that both protonated neurotransmitters established similar interactions with amino acid residues of the receptor, such as salt bridges, conventional hydrogen bonds, π-σ, and T-shaped π-π interactions, as shown by molecular docking simulations. As the initial structures for MD simulation with a total time of 10ns the most stable docking structures were used. The presented results are expected to provide some useful information for the design of specific β1AR agonists. © 2020, Serbian Society of Computational Mechanics.
273.
Jovanović, A Z; Mentus, S V; Skorodumova, N V; Pašti, I A
Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity Journal Article
In: Advanced Materials Interfaces, 2020.
@article{Jovanović2020c,
title = {Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity},
author = {A Z Jovanović and S V Mentus and N V Skorodumova and I A Pašti},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85097504521&doi=10.1002%2fadmi.202001814&partnerID=40&md5=61e30e46e5a01a20bdc1cc59a79f8458},
doi = {10.1002/admi.202001814},
year = {2020},
date = {2020-01-01},
journal = {Advanced Materials Interfaces},
abstract = {Single atom catalysts (SACs) present the ultimate level of catalyst utilization, which puts them in the focus of current research. Using density functional theory calculations, model SACs consisting of nine metals (Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) on four different supports (pristine graphene, N- and B-doped graphene and graphene with single vacancy) are analyzed. Only graphene with a single vacancy enables the formation of SACs, which are stable in terms of aggregation and dissolution under electrochemical conditions. Reactivity of models SACs is probed using atomic (hydrogen and A = C, N, O, and S) and molecular adsorbates (AHx, x = 1, 2, 3, or 4, depending on A). Scaling relations between adsorption energies of A and AHx on model SACs are confirmed. However, the scaling is broken for CH3. There is also an evident scaling between adsorption energies of atomic and molecular adsorbates on metals SAs supported by pristine, N-doped and B-doped graphene, which originates from similar electronic structures of SAs on these supports. Using the obtained data, the authors analyze the hydrogen evolution on the model SACs. Only M@graphene vacancy systems (excluding Ag and Au) are stable under hydrogen evolution conditions in highly acidic solutions. © 2020 Wiley-VCH GmbH},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Single atom catalysts (SACs) present the ultimate level of catalyst utilization, which puts them in the focus of current research. Using density functional theory calculations, model SACs consisting of nine metals (Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) on four different supports (pristine graphene, N- and B-doped graphene and graphene with single vacancy) are analyzed. Only graphene with a single vacancy enables the formation of SACs, which are stable in terms of aggregation and dissolution under electrochemical conditions. Reactivity of models SACs is probed using atomic (hydrogen and A = C, N, O, and S) and molecular adsorbates (AHx, x = 1, 2, 3, or 4, depending on A). Scaling relations between adsorption energies of A and AHx on model SACs are confirmed. However, the scaling is broken for CH3. There is also an evident scaling between adsorption energies of atomic and molecular adsorbates on metals SAs supported by pristine, N-doped and B-doped graphene, which originates from similar electronic structures of SAs on these supports. Using the obtained data, the authors analyze the hydrogen evolution on the model SACs. Only M@graphene vacancy systems (excluding Ag and Au) are stable under hydrogen evolution conditions in highly acidic solutions. © 2020 Wiley-VCH GmbH
274.
Arcet, B; Dekić, D D; Maćešić, S; Romanovski, V G
Limit cycles in the model of hypothalamic-pituitary-adrenal axis activity Journal Article
In: Match, 83 (2), pp. 331-343, 2020.
@article{Arcet2020331,
title = {Limit cycles in the model of hypothalamic-pituitary-adrenal axis activity},
author = {B Arcet and D D Dekić and S Maćešić and V G Romanovski},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85087567305&partnerID=40&md5=c99cfc00a86bf4a9b8c15e51edcb8630},
year = {2020},
date = {2020-01-01},
journal = {Match},
volume = {83},
number = {2},
pages = {331-343},
abstract = {Oscillatory behavior in a three-dimensional system of differential equations which represents a sub-network of the model of hypothalamic-pituirary-adrenal axes activity is analysed. We show that Hopf bifurcations and degenerate Hopf bifurcations (Bautin bifurcations) can occur in the system for chemically relevant values of parameters, so the system can have two limit cycles. © 2020 University of Kragujevac, Faculty of Science. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Oscillatory behavior in a three-dimensional system of differential equations which represents a sub-network of the model of hypothalamic-pituirary-adrenal axes activity is analysed. We show that Hopf bifurcations and degenerate Hopf bifurcations (Bautin bifurcations) can occur in the system for chemically relevant values of parameters, so the system can have two limit cycles. © 2020 University of Kragujevac, Faculty of Science. All rights reserved.
2020
Popa, A; Borcanescu, S; Holclajtner-Antunović, I; Bajuk-Bogdanović, D; Uskoković-Marković, S
Preparation and characterisation of amino-functionalized pore-expanded mesoporous silica for carbon dioxide capture Journal Article
In: Journal of Porous Materials, 2020.
@article{Popa2020,
title = {Preparation and characterisation of amino-functionalized pore-expanded mesoporous silica for carbon dioxide capture},
author = {A Popa and S Borcanescu and I Holclajtner-Antunović and D Bajuk-Bogdanović and S Uskoković-Marković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85090145787&doi=10.1007%2fs10934-020-00974-1&partnerID=40&md5=54b7bd1da07271c501d744cc45d6da6d},
doi = {10.1007/s10934-020-00974-1},
year = {2020},
date = {2020-01-01},
journal = {Journal of Porous Materials},
abstract = {In this study, the preparation of some large-pore ordered mesoporous silicas using a proper surfactant with different swelling agents was carried out. The synthesis of conventional SBA-15 was modified to obtain pore-expanded materials, with pore diameters up to 10 nm. To use a micelle swelling agent with a moderate swelling ability, three swelling agents were selected: 1-phenyl-decane (Dec), butyl benzene (BB), and mesitylene (Mes). These syntheses aimed to achieve a pore diameter enlargement but at the same time to avoid the formation of heterogeneous and/or poorly defined nanostructure of silica. The CO2 adsorbents were obtained by post-synthesis functionalization treatments carried out by grafting with 3-aminopropyl triethoxysilane. The CO2 adsorption/desorption experiments showed that carbon dioxide sorption capacities depend on the textural characteristics and the temperature used for the adsorption process. Good CO2 adsorption capacities were obtained for all prepared adsorbents, especially for SSBA-15-Mes-sil and SSBA-15-BB-sil samples. At 50 °C, the SSBA-15-Mes-sil sample has an adsorption capacity of 3.58 mmol CO2/g SiO2, and an efficiency of amino groups of 0.99 mmol CO2/mmol NH2. The results of adsorption capacities are comparable or even superior with the ones reported in literature for mesoporous silica functionalized with different amines. After nine adsorption–desorption cycles, the performance of the SSBA-15-Mes-sil adsorbent is relatively stable, with a low decrease in the adsorption capacity (0.1 mmol/g of CO2, i.e., 2.8% of initial capacity). These studies show the potential of mesoporous silica for carbon dioxide capture. © 2020, Springer Science+Business Media, LLC, part of Springer Nature.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this study, the preparation of some large-pore ordered mesoporous silicas using a proper surfactant with different swelling agents was carried out. The synthesis of conventional SBA-15 was modified to obtain pore-expanded materials, with pore diameters up to 10 nm. To use a micelle swelling agent with a moderate swelling ability, three swelling agents were selected: 1-phenyl-decane (Dec), butyl benzene (BB), and mesitylene (Mes). These syntheses aimed to achieve a pore diameter enlargement but at the same time to avoid the formation of heterogeneous and/or poorly defined nanostructure of silica. The CO2 adsorbents were obtained by post-synthesis functionalization treatments carried out by grafting with 3-aminopropyl triethoxysilane. The CO2 adsorption/desorption experiments showed that carbon dioxide sorption capacities depend on the textural characteristics and the temperature used for the adsorption process. Good CO2 adsorption capacities were obtained for all prepared adsorbents, especially for SSBA-15-Mes-sil and SSBA-15-BB-sil samples. At 50 °C, the SSBA-15-Mes-sil sample has an adsorption capacity of 3.58 mmol CO2/g SiO2, and an efficiency of amino groups of 0.99 mmol CO2/mmol NH2. The results of adsorption capacities are comparable or even superior with the ones reported in literature for mesoporous silica functionalized with different amines. After nine adsorption–desorption cycles, the performance of the SSBA-15-Mes-sil adsorbent is relatively stable, with a low decrease in the adsorption capacity (0.1 mmol/g of CO2, i.e., 2.8% of initial capacity). These studies show the potential of mesoporous silica for carbon dioxide capture. © 2020, Springer Science+Business Media, LLC, part of Springer Nature.
Kalijadis, A; Gavrilov, N; Jokić, B; Gilić, M; Krstić, A; Pašti, I; Babić, B
Composition, structure and potential energy application of nitrogen doped carbon cryogels Journal Article
In: Materials Chemistry and Physics, 239 , 2020.
@article{Kalijadis2020,
title = {Composition, structure and potential energy application of nitrogen doped carbon cryogels},
author = {A Kalijadis and N Gavrilov and B Jokić and M Gilić and A Krstić and I Pašti and B Babić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072025175&doi=10.1016%2fj.matchemphys.2019.122120&partnerID=40&md5=596fb20373556913e06eff7d52dffe6c},
doi = {10.1016/j.matchemphys.2019.122120},
year = {2020},
date = {2020-01-01},
journal = {Materials Chemistry and Physics},
volume = {239},
abstract = {Resorcinol–formaldehyde (RF) cryogels were synthesized by sol–gel polycondensation of resorcinol with formaldehyde and freeze-drying was carried out with t-butanol. Carbon cryogel (CC) was obtained by pyrolyzing RF cryogels in an inert atmosphere to 950 °C. Nitrogen doped CCs (CCN) were synthesized by introducing melamine into RF precursor mixture solution to obtain nitrogen concentration 2, 6 and 10 wt.%. Material was characterized by elemental analysis, nitrogen adsorption– desorption measurements, scanning electron microscopy (SEM), Raman spectroscopy, FT-IR Spectroscopy. Cyclic voltammetry (CV) was used to investigate capacitive and electrocatalytic properties. Conductivity measurement was also performed. Elemental analysis results confirmed presence of nitrogen in CCN samples in the range from 0.45 to 1.15 wt.%. Raman spectroscopy of the samples showed increase of D and G peak integrated intensity ratio (ID/IG) with nitrogen doping suggesting that the structural disorder as well as edge plane density increase, but according to similar ID/IG values for CCN samples, their share is not directly related to the amount of incorporated N. Characterization by nitrogen adsorption showed that overall specific surface and maximum mesopores are achieved in CCN sample with medium nitrogen concentration. Results of cyclic voltammetry experiments demonstrated maximum capacitance for CCN sample with smallest N wt.% indicating that narrow pore size distribution and high specific surface area are dominant factors to achieve good capacitive behavior. The relatively low doping level of nitrogen reached in CCN samples may be the reason for the incomplete reduction of oxygen to hydroxide and furthermore it turned out that presence of N in the structure of CC had a negligible effect on the otherwise relatively high conductivity of CC. © 2019 Elsevier B.V.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Resorcinol–formaldehyde (RF) cryogels were synthesized by sol–gel polycondensation of resorcinol with formaldehyde and freeze-drying was carried out with t-butanol. Carbon cryogel (CC) was obtained by pyrolyzing RF cryogels in an inert atmosphere to 950 °C. Nitrogen doped CCs (CCN) were synthesized by introducing melamine into RF precursor mixture solution to obtain nitrogen concentration 2, 6 and 10 wt.%. Material was characterized by elemental analysis, nitrogen adsorption– desorption measurements, scanning electron microscopy (SEM), Raman spectroscopy, FT-IR Spectroscopy. Cyclic voltammetry (CV) was used to investigate capacitive and electrocatalytic properties. Conductivity measurement was also performed. Elemental analysis results confirmed presence of nitrogen in CCN samples in the range from 0.45 to 1.15 wt.%. Raman spectroscopy of the samples showed increase of D and G peak integrated intensity ratio (ID/IG) with nitrogen doping suggesting that the structural disorder as well as edge plane density increase, but according to similar ID/IG values for CCN samples, their share is not directly related to the amount of incorporated N. Characterization by nitrogen adsorption showed that overall specific surface and maximum mesopores are achieved in CCN sample with medium nitrogen concentration. Results of cyclic voltammetry experiments demonstrated maximum capacitance for CCN sample with smallest N wt.% indicating that narrow pore size distribution and high specific surface area are dominant factors to achieve good capacitive behavior. The relatively low doping level of nitrogen reached in CCN samples may be the reason for the incomplete reduction of oxygen to hydroxide and furthermore it turned out that presence of N in the structure of CC had a negligible effect on the otherwise relatively high conductivity of CC. © 2019 Elsevier B.V.
Etinski, M; Stanković, I M; Puthenkalathil, R C; Ensing, B
A DFT study of structure and electrochemical properties of diiron-hydrogenase models with benzenedithiolato and benzenediselenato ligands Journal Article
In: New Journal of Chemistry, 44 (3), pp. 932-941, 2020.
@article{Etinski2020932,
title = {A DFT study of structure and electrochemical properties of diiron-hydrogenase models with benzenedithiolato and benzenediselenato ligands},
author = {M Etinski and I M Stanković and R C Puthenkalathil and B Ensing},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85078439931&doi=10.1039%2fc9nj04887a&partnerID=40&md5=8c473dac752adddfa88fce96aaad8ec5},
doi = {10.1039/c9nj04887a},
year = {2020},
date = {2020-01-01},
journal = {New Journal of Chemistry},
volume = {44},
number = {3},
pages = {932-941},
abstract = {The diiron benzenedithiolato carbonyl complex is a biomimetic catalyst for proton reduction whose catalytic pathways depend on the solvent properties and the proton donor acidity. Previous studies showed that the initial steps in electrocatalytic generation of dihydrogen in acetonitrile involve a two-electron reduction followed by protonation, but the structures and physical properties of other intermediates are not known. We have performed a systematic quantum chemical analysis of the reduced and protonated complexes with benzenedithiolato and benzenediselenato ligands that can be formed by addition of up to three electrons and/or protons. The exchange of the sulfur atoms by selenium increases the basicity of the iron atoms but is not favorable for the protonation of the chalcogen atoms. Our results show that the most stable singly protonated complexes possess the proton in a bridging position between both irons, irrespective of the total complex charge. The second proton can be attached to a chalcogen atom or to an iron atom in a terminal position, depending on the complex charge. The most stable isomers of the triply protonated complexes have protons in the bridging and terminal positions as well as one proton bound to a chalcogen atom. Standard reduction potentials and acidities of all examined complexes were computed. We also discussed possible intermediates and reaction pathways in the electrocatalytic proton reduction to molecular hydrogen formation. © 2020 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The diiron benzenedithiolato carbonyl complex is a biomimetic catalyst for proton reduction whose catalytic pathways depend on the solvent properties and the proton donor acidity. Previous studies showed that the initial steps in electrocatalytic generation of dihydrogen in acetonitrile involve a two-electron reduction followed by protonation, but the structures and physical properties of other intermediates are not known. We have performed a systematic quantum chemical analysis of the reduced and protonated complexes with benzenedithiolato and benzenediselenato ligands that can be formed by addition of up to three electrons and/or protons. The exchange of the sulfur atoms by selenium increases the basicity of the iron atoms but is not favorable for the protonation of the chalcogen atoms. Our results show that the most stable singly protonated complexes possess the proton in a bridging position between both irons, irrespective of the total complex charge. The second proton can be attached to a chalcogen atom or to an iron atom in a terminal position, depending on the complex charge. The most stable isomers of the triply protonated complexes have protons in the bridging and terminal positions as well as one proton bound to a chalcogen atom. Standard reduction potentials and acidities of all examined complexes were computed. We also discussed possible intermediates and reaction pathways in the electrocatalytic proton reduction to molecular hydrogen formation. © 2020 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.
Anićijević, V J; Lazarević-Pašti, T D
Organophosphates: Application, effects on human health and removal Book
2020.
@book{Anićijević20201,
title = {Organophosphates: Application, effects on human health and removal},
author = {V J Anićijević and T D Lazarević-Pašti},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096266289&partnerID=40&md5=5d860aeee9264687d970881bd8b22a97},
year = {2020},
date = {2020-01-01},
journal = {Organophosphate Pesticides},
pages = {1-42},
abstract = {Organophosphates (OPs) are widely used nowadays. They are applied as pesticides, drugs or chemical warfare agents. Their acute toxicity is ascribed to the inhibition of acetylcholinesterase (AChE), a key enzyme in the transmission of nerve impulses in mammals. The mentioned toxic effect is manifested by the accumulation of acetylcholine and can lead to severe neurological disorders, paralysis or death. Besides, chronic exposure to organophosphates is connected with depression and cancer development in mammals. OPs poisoning therapy is based on the application of specific antidotes as well as non-specific and symptomatic procedures. In this contribution, recent achievements concerning the protection from OPs activity and an overview of the methods for their removal from the environment and decontamination of contaminated persons were presented. The new findings regarding the involvement of organophosphates in cancer development are reviewed. Also, attention was paid on the connection between OPs and clinical depression – the link insufficiently investigated and described in the literature. © 2020 Nova Science Publishers, Inc.},
keywords = {},
pubstate = {published},
tppubtype = {book}
}
Organophosphates (OPs) are widely used nowadays. They are applied as pesticides, drugs or chemical warfare agents. Their acute toxicity is ascribed to the inhibition of acetylcholinesterase (AChE), a key enzyme in the transmission of nerve impulses in mammals. The mentioned toxic effect is manifested by the accumulation of acetylcholine and can lead to severe neurological disorders, paralysis or death. Besides, chronic exposure to organophosphates is connected with depression and cancer development in mammals. OPs poisoning therapy is based on the application of specific antidotes as well as non-specific and symptomatic procedures. In this contribution, recent achievements concerning the protection from OPs activity and an overview of the methods for their removal from the environment and decontamination of contaminated persons were presented. The new findings regarding the involvement of organophosphates in cancer development are reviewed. Also, attention was paid on the connection between OPs and clinical depression – the link insufficiently investigated and described in the literature. © 2020 Nova Science Publishers, Inc.
Milakin, K A; Gavrilov, N; Pašti, I A; Trchová, M; Zasońska, B A; Stejskal, J; Bober, P
Carbon materials derived from poly(aniline-co-p-phenylenediamine) cryogels Journal Article
In: Polymers, 12 (1), 2020.
@article{Milakin2020b,
title = {Carbon materials derived from poly(aniline-co-p-phenylenediamine) cryogels},
author = {K A Milakin and N Gavrilov and I A Pašti and M Trchová and B A Zasońska and J Stejskal and P Bober},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85078455370&doi=10.3390%2fpolym12010011&partnerID=40&md5=8fa429131a2ae440a59356f080bda1e6},
doi = {10.3390/polym12010011},
year = {2020},
date = {2020-01-01},
journal = {Polymers},
volume = {12},
number = {1},
abstract = {Nitrogen-containing carbon derivatives were prepared by the carbonization of poly(aniline-co-p-phenylenediamine) cryogels in inert atmosphere. Lower aniline fraction in the comonomer mixture used for preparation of the cryogels led to the decrease of their thermal stability, a consequent increase of carbonization degree, and less defective structure of carbonized materials. The resulting carbonaceous products had up to 4 orders of magnitude higher specific surface area than their respective cryogel precursors, the highest value 931 m2 g-1 being achieved for carbonized poly(p-phenylenediamine) cryogel. Electrochemical characterization of the carbon derivatives demonstrated that the decrease in aniline concentration during the synthesis of the precursor cryogels led to higher gravimetric capacitance for corresponding carbonized materials. These materials can potentially be used for energy storage applications. © 2019 by the authors.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Nitrogen-containing carbon derivatives were prepared by the carbonization of poly(aniline-co-p-phenylenediamine) cryogels in inert atmosphere. Lower aniline fraction in the comonomer mixture used for preparation of the cryogels led to the decrease of their thermal stability, a consequent increase of carbonization degree, and less defective structure of carbonized materials. The resulting carbonaceous products had up to 4 orders of magnitude higher specific surface area than their respective cryogel precursors, the highest value 931 m2 g-1 being achieved for carbonized poly(p-phenylenediamine) cryogel. Electrochemical characterization of the carbon derivatives demonstrated that the decrease in aniline concentration during the synthesis of the precursor cryogels led to higher gravimetric capacitance for corresponding carbonized materials. These materials can potentially be used for energy storage applications. © 2019 by the authors.
Nešović, M; Gašić, U; Tosti, T; Trifković, J; Baošić, R; Blagojević, S; Ignjatović, L; Tešić, Ž
Physicochemical analysis and phenolic profile of polyfloral and honeydew honey from Montenegro Journal Article
In: RSC Advances, 10 (5), pp. 2462-2471, 2020.
@article{Nešović20202462,
title = {Physicochemical analysis and phenolic profile of polyfloral and honeydew honey from Montenegro},
author = {M Nešović and U Gašić and T Tosti and J Trifković and R Baošić and S Blagojević and L Ignjatović and Ž Tešić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85078301815&doi=10.1039%2fc9ra08783d&partnerID=40&md5=062c3793431500531ed017d9d351ac6f},
doi = {10.1039/c9ra08783d},
year = {2020},
date = {2020-01-01},
journal = {RSC Advances},
volume = {10},
number = {5},
pages = {2462-2471},
abstract = {The research subject of this paper was a detail physicochemical analysis of 28 honey samples from the northern part of Montenegro. The honey from Montenegro has not been previously studied in such detail. Differentiation between samples, such as honeydew honey and polyfloral honey, was based on electrical conductivity, which was higher than 0.8 mS cm-1 for honeydew honey, as was expected. Other investigated physicochemical parameters (water content, free acids, diastase activity, hydroxymethylfurfural (HMF) content and sugar content) have shown great similarity for all honey samples. The main interest of this study was the identification and quantification of phenolic compounds using ultra-high performance liquid chromatography (UHPLC) with mass spectrometry detection. The results show that honey samples are very rich in phenolic compounds, especially quercetin. Among the 31 quantified phenolic compounds, the most dominant were phenolic acids. The highlight was based on p-hydroxybenzoic acid, p-coumaric acid, caffeic acid and ferulic acid. Considering polyphenolic compounds and sugar content, a high nutritional value can be observed in all samples, with an emphasis on polyfloral honeys, as was confirmed with principal component analysis (PCA). In addition, all honey samples were tested for total phenolic content (TPC) and radical scavenging activity (RSA). The results indicate the higher antioxidant ability of honeys from Montenegro in comparison to some honey samples from other countries in the region. This journal is © The Royal Society of Chemistry.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The research subject of this paper was a detail physicochemical analysis of 28 honey samples from the northern part of Montenegro. The honey from Montenegro has not been previously studied in such detail. Differentiation between samples, such as honeydew honey and polyfloral honey, was based on electrical conductivity, which was higher than 0.8 mS cm-1 for honeydew honey, as was expected. Other investigated physicochemical parameters (water content, free acids, diastase activity, hydroxymethylfurfural (HMF) content and sugar content) have shown great similarity for all honey samples. The main interest of this study was the identification and quantification of phenolic compounds using ultra-high performance liquid chromatography (UHPLC) with mass spectrometry detection. The results show that honey samples are very rich in phenolic compounds, especially quercetin. Among the 31 quantified phenolic compounds, the most dominant were phenolic acids. The highlight was based on p-hydroxybenzoic acid, p-coumaric acid, caffeic acid and ferulic acid. Considering polyphenolic compounds and sugar content, a high nutritional value can be observed in all samples, with an emphasis on polyfloral honeys, as was confirmed with principal component analysis (PCA). In addition, all honey samples were tested for total phenolic content (TPC) and radical scavenging activity (RSA). The results indicate the higher antioxidant ability of honeys from Montenegro in comparison to some honey samples from other countries in the region. This journal is © The Royal Society of Chemistry.
Radoičić, M; Ćirić-Marjanović, G; Miličević, D; Suljovrujić, E; Milošević, M; Jakovljević, J Kuljanin; Šaponjić, Z
Fine-tuning of conductive and dielectric properties of polypyrrole/TiO2 nanocomposite-coated polyamide fabric Journal Article
In: Composite Interfaces, 2020.
@article{Radoičić2020,
title = {Fine-tuning of conductive and dielectric properties of polypyrrole/TiO2 nanocomposite-coated polyamide fabric},
author = {M Radoičić and G Ćirić-Marjanović and D Miličević and E Suljovrujić and M Milošević and J Kuljanin Jakovljević and Z Šaponjić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089447238&doi=10.1080%2f09276440.2020.1805219&partnerID=40&md5=a1076e4c6b30b3e10c0db0837b8ec69a},
doi = {10.1080/09276440.2020.1805219},
year = {2020},
date = {2020-01-01},
journal = {Composite Interfaces},
abstract = {Structural, conductive and dielectric properties of hybrid Polypyrrole (PPy)-TiO2 nanocomposite-coated polyamide fabric (PA-PPy/TiO2) synthesized by in-situ oxidative polymerization of pyrrole on the surface of polyamide in the presence of colloidal TiO2 NPs (d ~ 4.5 nm) have been studied. Raman spectra confirmed salt form of PPy in both neat PPy and PPy/TiO2-coated PA fabric and indicated its complete coverage. SEM/EDX analysis confirmed presence of TiO2 NPs and changes in granular structure of PPy deposited on the surface of PA fiber depending on the amount of TiO2 NPs. The PA-PPy/TiO2 nanocomposite sample with lowest content of TiO2 NPs (6.79 At.% Ti) showed highest conductivity (~10−6 S/cm) and dissipation factor (tan δ) in the entire frequency range. The lowest amount of TiO2 NPs in the PA-PPy/TiO2 nanocomposite induced two to four orders of magnitude higher tan δ value, compared to neat PPy covered PA fabric, depending on the frequency range. Frequency dependence of real (ϵ′) and imaginary part (ϵ″) of the complex permittivity for neat PA and PPy/TiO2-coated PA fabrics follow the trend of changes in dissipation factor for the same TiO2 NPs concentrations. The presence of TiO2 NPs could be exploited for tuning the conductive and dielectric properties of a conductive layer. © 2020 Informa UK Limited, trading as Taylor & Francis Group.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Structural, conductive and dielectric properties of hybrid Polypyrrole (PPy)-TiO2 nanocomposite-coated polyamide fabric (PA-PPy/TiO2) synthesized by in-situ oxidative polymerization of pyrrole on the surface of polyamide in the presence of colloidal TiO2 NPs (d ~ 4.5 nm) have been studied. Raman spectra confirmed salt form of PPy in both neat PPy and PPy/TiO2-coated PA fabric and indicated its complete coverage. SEM/EDX analysis confirmed presence of TiO2 NPs and changes in granular structure of PPy deposited on the surface of PA fiber depending on the amount of TiO2 NPs. The PA-PPy/TiO2 nanocomposite sample with lowest content of TiO2 NPs (6.79 At.% Ti) showed highest conductivity (~10−6 S/cm) and dissipation factor (tan δ) in the entire frequency range. The lowest amount of TiO2 NPs in the PA-PPy/TiO2 nanocomposite induced two to four orders of magnitude higher tan δ value, compared to neat PPy covered PA fabric, depending on the frequency range. Frequency dependence of real (ϵ′) and imaginary part (ϵ″) of the complex permittivity for neat PA and PPy/TiO2-coated PA fabrics follow the trend of changes in dissipation factor for the same TiO2 NPs concentrations. The presence of TiO2 NPs could be exploited for tuning the conductive and dielectric properties of a conductive layer. © 2020 Informa UK Limited, trading as Taylor & Francis Group.
Zang, L; Paven, M -C Morère-Le; Clochard, T; Porcher, A; Satour, P; Mojović, M; Vidović, M; Limami, A M; Montrichard, F
Nitrate inhibits primary root growth by reducing accumulation of reactive oxygen species in the root tip in Medicago truncatula Journal Article
In: Plant Physiology and Biochemistry, 146 , pp. 363-373, 2020.
@article{Zang2020363,
title = {Nitrate inhibits primary root growth by reducing accumulation of reactive oxygen species in the root tip in Medicago truncatula},
author = {L Zang and M -C Morère-Le Paven and T Clochard and A Porcher and P Satour and M Mojović and M Vidović and A M Limami and F Montrichard},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85075562315&doi=10.1016%2fj.plaphy.2019.11.006&partnerID=40&md5=8ce9220ea6bedb365cdc4b0f2655e7fa},
doi = {10.1016/j.plaphy.2019.11.006},
year = {2020},
date = {2020-01-01},
journal = {Plant Physiology and Biochemistry},
volume = {146},
pages = {363-373},
abstract = {In Medicago truncatula, nitrate, acting as a signal perceived by NITRATE TRANSPORTER1/PEPTIDE TRANSPORTER FAMILY 6.8 (MtNPF6.8), inhibits primary root growth through a reduction of root cell elongation. Since reactive oxygen species (ROS) produced and converted in root tip (O2 •− → H2O2 → •OH) have been reported to control cell elongation, the impact of nitrate on the distribution of these ROS in the primary root of M. truncatula was analyzed. We found that nitrate reduced the content of O2 •−, H2O2 and •OH in the root tip of three wild type genotypes sensitive to nitrate (R108, DZA, A17), inhibition of root growth and O2 •− accumulation being highly correlated. Nitrate also modified the capacity of R108 root tip to produce or remove ROS. The ROS content decrease observed in R108 in response to nitrate is linked to changes in peroxidase activity (EC1.11.1.7) with an increase in peroxidative activity that scavenge H2O2 and a decrease in hydroxylic activity that converts H2O2 into •OH. These changes impair the accumulation of H2O2 and then the accumulation of •OH, the species responsible for cell wall loosening and cell elongation. Accordingly, nitrate inhibitory effect was abolished by externally added H2O2 or mimicked by KI, an H2O2 scavenger. In contrast, nitrate has no effect on ROS production or removal capacities in npf6.8-2, a knockdown line insensitive to nitrate, affected in the nitrate transporter MtNPF6.8 (in R108 background) by RNAi. Altogether, our data show that ROS are mediators acting downstream of MtNPF6.8 in the nitrate signaling pathway. © 2019 Elsevier Masson SAS},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In Medicago truncatula, nitrate, acting as a signal perceived by NITRATE TRANSPORTER1/PEPTIDE TRANSPORTER FAMILY 6.8 (MtNPF6.8), inhibits primary root growth through a reduction of root cell elongation. Since reactive oxygen species (ROS) produced and converted in root tip (O2 •− → H2O2 → •OH) have been reported to control cell elongation, the impact of nitrate on the distribution of these ROS in the primary root of M. truncatula was analyzed. We found that nitrate reduced the content of O2 •−, H2O2 and •OH in the root tip of three wild type genotypes sensitive to nitrate (R108, DZA, A17), inhibition of root growth and O2 •− accumulation being highly correlated. Nitrate also modified the capacity of R108 root tip to produce or remove ROS. The ROS content decrease observed in R108 in response to nitrate is linked to changes in peroxidase activity (EC1.11.1.7) with an increase in peroxidative activity that scavenge H2O2 and a decrease in hydroxylic activity that converts H2O2 into •OH. These changes impair the accumulation of H2O2 and then the accumulation of •OH, the species responsible for cell wall loosening and cell elongation. Accordingly, nitrate inhibitory effect was abolished by externally added H2O2 or mimicked by KI, an H2O2 scavenger. In contrast, nitrate has no effect on ROS production or removal capacities in npf6.8-2, a knockdown line insensitive to nitrate, affected in the nitrate transporter MtNPF6.8 (in R108 background) by RNAi. Altogether, our data show that ROS are mediators acting downstream of MtNPF6.8 in the nitrate signaling pathway. © 2019 Elsevier Masson SAS
Surla, R; Mitrović, N; Vasić, M; Minić, D
The inverted hysteresis loops and exchange bias effects in amorphous/nanocrystalline fe72cu1v4si15b8 ribbons at room temperature Journal Article
In: Science of Sintering, 52 (3), pp. 283-298, 2020.
@article{Surla2020283,
title = {The inverted hysteresis loops and exchange bias effects in amorphous/nanocrystalline fe72cu1v4si15b8 ribbons at room temperature},
author = {R Surla and N Mitrović and M Vasić and D Minić},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85097595770&doi=10.2298%2fSOS2003283S&partnerID=40&md5=aac55de05ed316f322ecf6b2e3b932bd},
doi = {10.2298/SOS2003283S},
year = {2020},
date = {2020-01-01},
journal = {Science of Sintering},
volume = {52},
number = {3},
pages = {283-298},
abstract = {Тhe influence of thermally induced microstructural transformations on magnetic properties of Fe72Cu1V4Si15B8 ribbon with combined amorphous/nanocrystalline structure is presented. The experiments showed that thermally induced structural changes are in correlation with the appearance of magnetic hysteresis, i.e. with inverted hysteresis loops (IHL) and exchange bias (EB) effects. It was found that the ratio of surface to volume of a ribbon sample have an influence on hysteresis loop appearance. The inverted hysteresis loops were observed for the 1.5 mm wide and 55 μm thick alloy samples shorter than 10 mm, but for the samples longer than 10 mm hysteresis loops were normal. With an increase of annealing temperature, a shift of the hysteresis loops measured at room temperature was noticed. The highest positive exchange bias field Heb was observed for the sample annealed at 723 K, together with the lowest magnetic field at which the changes from inverted to normal hysteresis loop occurred. Annealing at the temperature of 823 K resulted in negative Heb. © 2020 Authors. Published by association for ETRAN Society.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Тhe influence of thermally induced microstructural transformations on magnetic properties of Fe72Cu1V4Si15B8 ribbon with combined amorphous/nanocrystalline structure is presented. The experiments showed that thermally induced structural changes are in correlation with the appearance of magnetic hysteresis, i.e. with inverted hysteresis loops (IHL) and exchange bias (EB) effects. It was found that the ratio of surface to volume of a ribbon sample have an influence on hysteresis loop appearance. The inverted hysteresis loops were observed for the 1.5 mm wide and 55 μm thick alloy samples shorter than 10 mm, but for the samples longer than 10 mm hysteresis loops were normal. With an increase of annealing temperature, a shift of the hysteresis loops measured at room temperature was noticed. The highest positive exchange bias field Heb was observed for the sample annealed at 723 K, together with the lowest magnetic field at which the changes from inverted to normal hysteresis loop occurred. Annealing at the temperature of 823 K resulted in negative Heb. © 2020 Authors. Published by association for ETRAN Society.
Jovanović, Z; Mravik, Ž; Bajuk-Bogdanović, D; Jovanović, S; Marković, S; Vujković, M; Kovač, J; Vengust, D; Uskoković-Marković, S; Holclajtner-Antunović, I
Self-limiting interactions in 2D–0D system: A case study of graphene oxide and 12-tungstophosphoric acid nanocomposite Journal Article
In: Carbon, 156 , pp. 166-178, 2020.
@article{Jovanović2020166,
title = {Self-limiting interactions in 2D–0D system: A case study of graphene oxide and 12-tungstophosphoric acid nanocomposite},
author = {Z Jovanović and Ž Mravik and D Bajuk-Bogdanović and S Jovanović and S Marković and M Vujković and J Kovač and D Vengust and S Uskoković-Marković and I Holclajtner-Antunović},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072633199&doi=10.1016%2fj.carbon.2019.09.072&partnerID=40&md5=accbc69d0979157430eca088dbf0954b},
doi = {10.1016/j.carbon.2019.09.072},
year = {2020},
date = {2020-01-01},
journal = {Carbon},
volume = {156},
pages = {166-178},
abstract = {In the present study we investigated the interaction between 12-tungstophosphoric acid (WPA) and graphene oxide (GO) in their nanocomposite by utilizing the loading of WPA as an intrinsic parameter for interaction tuning. The Fourier-transform infrared spectroscopy, temperature-programmed desorption, X-ray photoelectron spectroscopy, zeta-potential measurements, thermogravimetric analysis, X-ray diffraction, Raman spectroscopy and transmission electron microscopy methods revealed that ∼5–13 wt% of WPA represents critical loading that separates two distinct contributions to GO-WPA interaction. This was explained by the self-limiting nature of GO-WPA interaction, initially controlled by high dispersion of WPA on GO (up to 13 wt%), that is eventually overpowered by WPA-WPA interaction as loading increases. As a result, the WPA agglomerates are being formed because of which the hybrid character of the nanocomposite diminishes, i.e., the properties of independent components start to be manifested to greater extent. The obtained results provide an important framework for considering possible outcomes in other 2D-0D systems, whose interaction is relevant both from fundamental and applicative point of view. Thus, the GO/WPA nanocomposite illustrates how the interactions between the components can be used for tuning the properties of nanocomposite as a whole. © 2019 Elsevier Ltd},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the present study we investigated the interaction between 12-tungstophosphoric acid (WPA) and graphene oxide (GO) in their nanocomposite by utilizing the loading of WPA as an intrinsic parameter for interaction tuning. The Fourier-transform infrared spectroscopy, temperature-programmed desorption, X-ray photoelectron spectroscopy, zeta-potential measurements, thermogravimetric analysis, X-ray diffraction, Raman spectroscopy and transmission electron microscopy methods revealed that ∼5–13 wt% of WPA represents critical loading that separates two distinct contributions to GO-WPA interaction. This was explained by the self-limiting nature of GO-WPA interaction, initially controlled by high dispersion of WPA on GO (up to 13 wt%), that is eventually overpowered by WPA-WPA interaction as loading increases. As a result, the WPA agglomerates are being formed because of which the hybrid character of the nanocomposite diminishes, i.e., the properties of independent components start to be manifested to greater extent. The obtained results provide an important framework for considering possible outcomes in other 2D-0D systems, whose interaction is relevant both from fundamental and applicative point of view. Thus, the GO/WPA nanocomposite illustrates how the interactions between the components can be used for tuning the properties of nanocomposite as a whole. © 2019 Elsevier Ltd
Amić, A; Milenković, D; Marković, J D; Marković, Z
Do Equol's C-ring hydrogens contribute to free radical scavenging? Journal Article
In: Journal of the Serbian Society for Computational Mechanics, (SpecialIssue), pp. 45-58, 2020.
@article{Amić202045,
title = {Do Equol's C-ring hydrogens contribute to free radical scavenging?},
author = {A Amić and D Milenković and J D Marković and Z Marković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089280159&doi=10.24874%2fjsscm.2020.01.05&partnerID=40&md5=3f066f4d6e6d40ddf7ec993e9a06f4ed},
doi = {10.24874/jsscm.2020.01.05},
year = {2020},
date = {2020-01-01},
journal = {Journal of the Serbian Society for Computational Mechanics},
number = {SpecialIssue},
pages = {45-58},
abstract = {Free radical scavenging potency of physiologically active equol molecule, derived by gut microbiota from soy isoflavone daidzein, was investigated by using M06-2X/6-311++G(d, p) level of theory, accompanied with the TST and Eckart tunneling corrections for the estimation of rate constants. Phenolic hydrogens of equol are recognized as much more abstractable than C-ring hydrogens. This finding is opposite to the one very recently suggested, but in accordance with well-known facts related to the flavonoid chemistry and phenolic O-H vs C-H reactivity. © 2020, Serbian Society of Computational Mechanics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Free radical scavenging potency of physiologically active equol molecule, derived by gut microbiota from soy isoflavone daidzein, was investigated by using M06-2X/6-311++G(d, p) level of theory, accompanied with the TST and Eckart tunneling corrections for the estimation of rate constants. Phenolic hydrogens of equol are recognized as much more abstractable than C-ring hydrogens. This finding is opposite to the one very recently suggested, but in accordance with well-known facts related to the flavonoid chemistry and phenolic O-H vs C-H reactivity. © 2020, Serbian Society of Computational Mechanics.
Milanović, Z; Dimić, D; Marković, J D; Stanojević-Pirković, M; Avdović, E; Marković, Z
The interaction of protonated octopamine and norepinephrine with β1-adrenergic receptor: Molecular docking and dynamical simulation Journal Article
In: Journal of the Serbian Society for Computational Mechanics, (SpecialIssue), pp. 13-25, 2020.
@article{Milanović202013,
title = {The interaction of protonated octopamine and norepinephrine with β1-adrenergic receptor: Molecular docking and dynamical simulation},
author = {Z Milanović and D Dimić and J D Marković and M Stanojević-Pirković and E Avdović and Z Marković},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089266867&doi=10.24874%2fjsscm.2020.01.02&partnerID=40&md5=c2df85d50ee5982e5075a456c0fa2845},
doi = {10.24874/jsscm.2020.01.02},
year = {2020},
date = {2020-01-01},
journal = {Journal of the Serbian Society for Computational Mechanics},
number = {SpecialIssue},
pages = {13-25},
abstract = {In the current study, the interaction mechanisms between protonated neurotransmitters: octopamine (4-(2-amino-1-hydroxyethyl)phenol) and norepinephrine (4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol) with the β-1 adrenergic receptor (β1AR) were examined by molecular docking, molecular dynamics (MD) simulations and MM/PBSA free energy calculations. The investigated receptor belongs to the G-protein coupled receptor group. The investigation was carried out at physiological pH=7.4. It was estimated that both compounds exist in the protonated form in the water at physiological pH. It was found that both protonated neurotransmitters established similar interactions with amino acid residues of the receptor, such as salt bridges, conventional hydrogen bonds, π-σ, and T-shaped π-π interactions, as shown by molecular docking simulations. As the initial structures for MD simulation with a total time of 10ns the most stable docking structures were used. The presented results are expected to provide some useful information for the design of specific β1AR agonists. © 2020, Serbian Society of Computational Mechanics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the current study, the interaction mechanisms between protonated neurotransmitters: octopamine (4-(2-amino-1-hydroxyethyl)phenol) and norepinephrine (4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol) with the β-1 adrenergic receptor (β1AR) were examined by molecular docking, molecular dynamics (MD) simulations and MM/PBSA free energy calculations. The investigated receptor belongs to the G-protein coupled receptor group. The investigation was carried out at physiological pH=7.4. It was estimated that both compounds exist in the protonated form in the water at physiological pH. It was found that both protonated neurotransmitters established similar interactions with amino acid residues of the receptor, such as salt bridges, conventional hydrogen bonds, π-σ, and T-shaped π-π interactions, as shown by molecular docking simulations. As the initial structures for MD simulation with a total time of 10ns the most stable docking structures were used. The presented results are expected to provide some useful information for the design of specific β1AR agonists. © 2020, Serbian Society of Computational Mechanics.
Jovanović, A Z; Mentus, S V; Skorodumova, N V; Pašti, I A
Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity Journal Article
In: Advanced Materials Interfaces, 2020.
@article{Jovanović2020c,
title = {Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity},
author = {A Z Jovanović and S V Mentus and N V Skorodumova and I A Pašti},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85097504521&doi=10.1002%2fadmi.202001814&partnerID=40&md5=61e30e46e5a01a20bdc1cc59a79f8458},
doi = {10.1002/admi.202001814},
year = {2020},
date = {2020-01-01},
journal = {Advanced Materials Interfaces},
abstract = {Single atom catalysts (SACs) present the ultimate level of catalyst utilization, which puts them in the focus of current research. Using density functional theory calculations, model SACs consisting of nine metals (Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) on four different supports (pristine graphene, N- and B-doped graphene and graphene with single vacancy) are analyzed. Only graphene with a single vacancy enables the formation of SACs, which are stable in terms of aggregation and dissolution under electrochemical conditions. Reactivity of models SACs is probed using atomic (hydrogen and A = C, N, O, and S) and molecular adsorbates (AHx, x = 1, 2, 3, or 4, depending on A). Scaling relations between adsorption energies of A and AHx on model SACs are confirmed. However, the scaling is broken for CH3. There is also an evident scaling between adsorption energies of atomic and molecular adsorbates on metals SAs supported by pristine, N-doped and B-doped graphene, which originates from similar electronic structures of SAs on these supports. Using the obtained data, the authors analyze the hydrogen evolution on the model SACs. Only M@graphene vacancy systems (excluding Ag and Au) are stable under hydrogen evolution conditions in highly acidic solutions. © 2020 Wiley-VCH GmbH},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Single atom catalysts (SACs) present the ultimate level of catalyst utilization, which puts them in the focus of current research. Using density functional theory calculations, model SACs consisting of nine metals (Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) on four different supports (pristine graphene, N- and B-doped graphene and graphene with single vacancy) are analyzed. Only graphene with a single vacancy enables the formation of SACs, which are stable in terms of aggregation and dissolution under electrochemical conditions. Reactivity of models SACs is probed using atomic (hydrogen and A = C, N, O, and S) and molecular adsorbates (AHx, x = 1, 2, 3, or 4, depending on A). Scaling relations between adsorption energies of A and AHx on model SACs are confirmed. However, the scaling is broken for CH3. There is also an evident scaling between adsorption energies of atomic and molecular adsorbates on metals SAs supported by pristine, N-doped and B-doped graphene, which originates from similar electronic structures of SAs on these supports. Using the obtained data, the authors analyze the hydrogen evolution on the model SACs. Only M@graphene vacancy systems (excluding Ag and Au) are stable under hydrogen evolution conditions in highly acidic solutions. © 2020 Wiley-VCH GmbH
Arcet, B; Dekić, D D; Maćešić, S; Romanovski, V G
Limit cycles in the model of hypothalamic-pituitary-adrenal axis activity Journal Article
In: Match, 83 (2), pp. 331-343, 2020.
@article{Arcet2020331,
title = {Limit cycles in the model of hypothalamic-pituitary-adrenal axis activity},
author = {B Arcet and D D Dekić and S Maćešić and V G Romanovski},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85087567305&partnerID=40&md5=c99cfc00a86bf4a9b8c15e51edcb8630},
year = {2020},
date = {2020-01-01},
journal = {Match},
volume = {83},
number = {2},
pages = {331-343},
abstract = {Oscillatory behavior in a three-dimensional system of differential equations which represents a sub-network of the model of hypothalamic-pituirary-adrenal axes activity is analysed. We show that Hopf bifurcations and degenerate Hopf bifurcations (Bautin bifurcations) can occur in the system for chemically relevant values of parameters, so the system can have two limit cycles. © 2020 University of Kragujevac, Faculty of Science. All rights reserved.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Oscillatory behavior in a three-dimensional system of differential equations which represents a sub-network of the model of hypothalamic-pituirary-adrenal axes activity is analysed. We show that Hopf bifurcations and degenerate Hopf bifurcations (Bautin bifurcations) can occur in the system for chemically relevant values of parameters, so the system can have two limit cycles. © 2020 University of Kragujevac, Faculty of Science. All rights reserved.