FFH scientific research papers database

@article{Marinković202266,

title = {Thermal and dielectric properties of low-density polyethylene/NaA zeolite composites},

author = {F. Marinković and D. Popović and J. Jovanović and B. Stanković and S. Jevtić and B. Adnadjević},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85113336189&doi=10.1002%2fpi.6284&partnerID=40&md5=11070ba90d1109d605bef108f81757c6},

doi = {10.1002/pi.6284},

year  = {2022},

date = {2022-01-01},

journal = {Polymer International},

volume = {71},

number = {1},

pages = {66-73},

abstract = {The effect of the weight fraction of NaA zeolite on thermal properties (specific heat capacity, thermal diffusivity, thermal conductivity) and dielectric properties (electrical conductivity, real and imaginary electric permittivity) of composites based on low-density polyethylene (LDPE) and NaA zeolite is examined. Composite samples containing from 5 to 30 wt% zeolite are prepared using the compression molding technique. The degree of dispersion and the weight fraction of filler in the LDPE/NaA zeolite composites are determined using X-ray diffraction. A linear decrease in the values of the specific heat capacity with an increase in the weight fraction of zeolite is observed using differential scanning calorimetry. The laser flash method is used to determine the thermal diffusivity of the composites. An increase in effective thermal diffusivity and abrupt increase in the range from 15 to 20 wt% of zeolite are established. It is demonstrated that effective thermal conductivity increases with an increase in the weight fraction of zeolite, and an abrupt increase in the range from 15 to 20 wt% is observed. Dielectric spectroscopy measurements are performed to determine the real and imaginary parts of permittivity. An increase of real and imaginary parts of permittivity of LDPE/NaA zeolite composites, with increasing weight fraction of zeolite, is established. Two relaxation peaks of the imaginary parts of permittivity of LDPE/NaA zeolite composites are detected. An increase of electrical conductivity with increasing weight fraction of zeolite and abrupt increase in the range 15 to 20 wt% are noticed. © 2021 Society of Industrial Chemistry. © 2021 Society of Industrial Chemistry.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bosnar2022,

title = {Overcoming phase separation in dual templating: A homogeneous hierarchical ZSM-5 zeolite with flower-like morphology, synthesis and in-depth acidity study},

author = {S. Bosnar and V. Rac and D. Stošić and A. Travert and G. Postole and A. Auroux and S. Škapin and L. Damjanović-Vasilić and J. Bronić and X. Du and S. Marković and V. Pavlović and V. Rakić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85118483367&doi=10.1016%2fj.micromeso.2021.111534&partnerID=40&md5=7077404fa49ca1e0b4b19cff7d6b8341},

doi = {10.1016/j.micromeso.2021.111534},

year  = {2022},

date = {2022-01-01},

journal = {Microporous and Mesoporous Materials},

volume = {329},

abstract = {Dual templating approach, using hexadecyltrimethylammonium bromide (CTAB), was employed in an attempt to synthesize hierarchical ZSM-5 zeolite. Amount of mesoporogen and the duration of aging of the precursor were varied. Majority of the synthesis routes resulted in phase separation, yielding separate ZSM-5 and amorphous mesoporous material. The relative amounts of the two phases were dependent on the CTAB amount ratio and also significantly on the duration of precursor aging before CTAB addition. One particular combination of the two factors led to the formation of a homogeneous hierarchical form of ZSM-5 with leafy morphology, consisting of intergrown thin crystalline sheets which formed flower-like structures. The hierarchical ZSM-5 possessed significant microporous (≈95 m2/g) and highly developed mesoporous surface (≈470 m2/g), with a relatively broad distribution of mesopore sizes (<20 nm). The acidity of all samples was studied in detail. Isothermal microcalorimetry/volumetry of ammonia adsorption provided quantitative data on the number and distribution of strength of acidic sites. In situ FTIR of pyridine and collidine adsorption was used to quantify Brønsted and Lewis acid sites, and to provide information on their location - in the micropores or mesopores/external surface. The hierarchical ZSM-5 possessed both Lewis and Brønsted acidity, with Brønsted sites located mainly in the micropores. All samples were fully characterized using XRD, low temperature nitrogen adsorption, FESEM and EDS. The synthetic route used for obtaining the ZSM-5 zeolite with flower-like morphology is a simple strategy for preparing hierarchical ZSM-5 forms targeting enhanced diffusivity and accessibility of catalytically active sites. © 2021 Elsevier Inc.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kiris2022,

title = {Laser-induced breakdown spectroscopy analysis of water solutions deposited on PTFE surface: Influence of copper oxide nanoparticles and NELIBS effect},

author = {V. Kiris and J. Savovic and A. Nevar and M. Kuzmanovic and M. Nedelko and D. Rankovic and N. Tarasenko},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119849736&doi=10.1016%2fj.sab.2021.106333&partnerID=40&md5=3ed81efe1c6f8d423ec61a03d5a3ea36},

doi = {10.1016/j.sab.2021.106333},

year  = {2022},

date = {2022-01-01},

journal = {Spectrochimica Acta - Part B Atomic Spectroscopy},

volume = {187},

abstract = {The analytical potential of LIBS for the analysis of liquid solutions was evaluated using two experimental setups, one based on a TEA CO2 laser and the other in which Nd:YAG laser was used. Polytetrafluoroethylene (PTFE) was used as a substrate on which a 10 μL drop of analyte solutions with different concentrations of analyte elements, Be, Cr, Ni, Co, Pb, Tl, and V, were deposited and dried. The samples were deposited either directly on the PTFE or over the pre-deposited layer of copper oxide nanoparticles to study the influence of nanoparticles (NPs) on the ablation and plasma excitation. The obtained results imply that the presence of Cu oxide NPs does not significantly affect the analytical performance of LIBS based on TEA CO2 laser for analysis of solutions. At the same time, it was shown that plasma created by TEA CO2 laser radiation efficiently excited ablated material, making metal elements detectable in the sub-ppm concentration range. On the other hand, Cu oxide NPs significantly influence the formation and the analytical properties of plasma induced by Nd:YAG laser. Without the presence of NPs, the intensities of analyte lines were very low, unsuitable for spectrochemical analysis. At the optimal surface concentration of NPs, 0.36 mg/cm2, the intensity of analyte lines was increased more than ten times. Limits of detection of Be and Cr were 5.3 ppb and 33 ppb, with good linearity of curves of growth. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Mišović2022,

title = {Properties of free-standing graphene oxide/silver nanowires films and effects of chemical reduction and gamma irradiation},

author = {A. Mišović and D. B. Bogdanović and D. Kepić and V. Pavlović and M. Huskić and N. Hasheminejad and C. Vuye and N. Zorić and S. Jovanović},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85120943690&doi=10.1016%2fj.synthmet.2021.116980&partnerID=40&md5=2445931ce08444a4ed98bcff5ffcbfe0},

doi = {10.1016/j.synthmet.2021.116980},

year  = {2022},

date = {2022-01-01},

journal = {Synthetic Metals},

volume = {283},

abstract = {The need for stable, chemical resistant and conductive materials is on the rise in recent times. Graphene shows promising electrical conductivity and chemical stability, but the production of a continual, conductive layer is limited and expensive. Silver nanowires (AgNWs) are both conducive and economically viable, but they are sensitive to water and oxygen. In this study, graphene oxide (GO) and AgNWs were synthesized and combined in different mass ratios (3:1, 2.5:1.5, and 1:1) to obtain chemically stable composites with improved electrical properties. Composites were reduced using ascorbic acid. With the increase of AgNWs to GO mass ratio, the surface of the free-standing composite film improved: the root mean square roughness was lowered from 376 nm for GO to 168 nm for the composite with the mass ratio of GO:AgNWs 1:1, while the sheet resistance was lowered from 146 × 106 Ω/□ to 4 Ω/□. For the first time, the effects of gamma irradiation on the structure of the composites were studied. Doses of 15, 25, and 35 kGy were applied. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Rakočević2022,

title = {Ptau nanoparticles supported by reduced graphene oxide as a highly active catalyst for hydrogen evolution},

author = {L. Rakočević and I. S. Simatović and A. Maksić and V. Rajić and S. Štrbac and I. Srejić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122024529&doi=10.3390%2fcatal12010043&partnerID=40&md5=f9001f6ed4fbad293463a76d7dee375c},

doi = {10.3390/catal12010043},

year  = {2022},

date = {2022-01-01},

journal = {Catalysts},

volume = {12},

number = {1},

abstract = {PtAu nanoparticles spontaneously deposited on graphene support, PtAu/rGO, have shown remarkably high catalytic activity for hydrogen evolution reaction (HER) in sulfuric acid solution. SEM images of the PtAu/rGO electrode surface showed that Pt nanoparticles that are non-uniform in size occupy both the edges of previously deposited uniform Au nanoparticles and the edges of graphene support. XPS analysis showed that the atomic percentages of Au and Pt in PtAu/rGO were 0.6% and 0.3%, respectively. The atomic percentage of Au alone on previously prepared Au/rGO was 0.7%. Outstanding HER activity was achieved for the PtAu/rGO electrode, showing the initial potential close to the equilibrium potential for HER and a low Tafel slope of −38 mV/dec. This was confirmed by electrochemical impedance spectroscopy. The chronoamperometric measurement performed for 40 min for hydrogen evolution at a constant potential indicated good stability and durability of the PtAu/rGO electrode. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Shobana2022b,

title = {Structural, spectroscopic (IR, Raman, and NMR), quantum chemical, and molecular docking analysis of (E)-2-(2,5-dimethoxybenzylidene)hydrazinecarbothioamide and its dimers},

author = {D. Shobana and S. Sudha and D. Ramarajan and N. Ristivojević and A. Rakić and D. Dimić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85113281194&doi=10.1016%2fj.molstruc.2021.131277&partnerID=40&md5=0717d1bc9b0c009cc8227b7a2b4aeb1d},

doi = {10.1016/j.molstruc.2021.131277},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1247},

abstract = {Thiosemicarbazides are an important class of compounds with pronounced biological activities. In this contribution, the crystallographic structure of (E)-2-(2,5-dimethoxybenzylidene)hydrazinecarbothioamide (DBH) was described, and further spectroscopic studies (IR, Raman, 1H, and 13C NMR) studies were performed. Several density functional theory functionals (B3LYP, CAM-B3LYP, APFD, PBEPBE, M05-2X, and M06-2X) in conjunction with 6-311++G(d,p) were applied for the optimization of the structure. The highest resemblance to the crystallographic structure was obtained for structure optimized at M05-2X/6-311++G(d,p) level of theory. This structure was further used for the prediction of IR, Raman, and NMR spectra. The detailed vibrational and NMR analysis, with the most prominent bands assigned, proved that the experimental and theoretical spectra match well and that the obtained level of theory was suitable for the description of structure. Special emphasis was put on the analysis of dimers of DBH and water/DMSO-DBH structures to examine specific interactions. Natural Bond Orbital (NBO) and Quantum Atoms in Molecules (QTAIM) theories were applied for the quantification of the strength of these interactions. The most active positions were outlined through the calculation of the Fukui functions. A molecular docking study of DBH was performed towards Polo-like Kinase 1 (PLK1) to investigate the potential antitumor activity and the results were compared to volasertib. Specific interactions and binding affinities of monomers and dimers of DBH were discussed. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Trtica2022,

title = {TEA CO2 Laser – Polymethyl Methacrylate Interaction: LIBS Hydrogen Analysis},

author = {M. Trtica and M. Kuzmanovic and J. Savovic and D. Rankovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85116527433&doi=10.1016%2fj.apsusc.2021.151424&partnerID=40&md5=b3945efddf1e05e8b4ce880fe61aa515},

doi = {10.1016/j.apsusc.2021.151424},

year  = {2022},

date = {2022-01-01},

journal = {Applied Surface Science},

volume = {572},

abstract = {The interaction of a Transversely Excited Atmospheric (TEA) CO2 laser with a polymer polymethyl methacrylate (PMMA) sample in a vacuum ambiance was studied. The main goal was to demonstrate the feasibility of laser-induced breakdown spectroscopy (LIBS) to detect hydrogen. The generation of plasma over the PMMA surface, using a low laser intensity of ∼ 48 MW/cm2 and fluence of ∼ 16.5 J/cm2, required the application of a metal sub-target. Besides hydrogen, the recorded spectra were dominated by atomic lines of carbon and oxygen and band emission of the C2 and CN molecules. The electron number density and temperature (ionic, vibrational, and rotational) were evaluated to characterize the laser-induced plasma. In addition, PMMA micro-damages (diameter ∼ 45 µm) created by a multipulse laser ablation could find potential applications in sensor technologies. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milovanović2022,

title = {Alkaline earth cations binding mode tailors excited-state charge transfer properties of guanine quadruplex: A TDDFT study},

author = {B. Milovanović and M. Petković and M. Etinski},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119192126&doi=10.1016%2fj.saa.2021.120584&partnerID=40&md5=f14bec88769f951c225f237bd93b8211},

doi = {10.1016/j.saa.2021.120584},

year  = {2022},

date = {2022-01-01},

journal = {Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy},

volume = {267},

abstract = {Quadruplexes formed by nucleic acids and their derivates tend to chelate different monovalent and bivalent cations, which simultaneously affect their excited electronic states properties. Cation binding to every and every other cavity of the central ion channel could be exploited for tuning exited-state charge transfer properties. In this work we utilize set of descriptors constructed on the basis of the one-electron transition density matrix obtained using linear-response TDDFT to study excited states properties of four crystallized tetramolecular quadruplexes that chelate alkaline earth cations (Ca2+, Sr2+ and Ba2+). Here, we show that alkaline earth cations situated at adjacent vacancies promote existence of the nucleobase-metal charge separation (CS) states, contrary to the structures with cations that occupy every second available vacancy. We argued that stabilization of these CS states is due to the strong electric field that stabilizes d orbitals of the cations which accept an excited-electron. Moreover, CS content is increased and redshifted below the first bright transition when number of the chelated cations is increased. Hydration effects stabilized CS states and increased their relative content. We also identified electron detachment states in the broad energy range for the Ca2+ containing system. These findings are valuable for understanding and development of the novel nanostructures based on the quadruplex scaffold with adjustable optical properties. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Shobana2022,

title = {Synthesis, crystal structure, spectral characterization and Hirshfeld surface analysis of (E)-N′-(3-ethoxy-4-hydroxybenzylidene)-4-fluorobenzohydrazide single-crystal – a novel NLO active material},

author = {D. Shobana and S. Sudha and D. Ramarajan and D. Dimić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119415061&doi=10.1016%2fj.molstruc.2021.131856&partnerID=40&md5=84488b887e93db54b3a1cec830fcb61d},

doi = {10.1016/j.molstruc.2021.131856},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1250},

abstract = {(E)-N′-(3-ethoxy-4-hydroxybenzylidene)-4-fluorobenzohydrazide (3E4H4FB) single crystal was obtained by recrystallization method. Single-crystal X-ray diffraction analysis revealed the crystalline structure, packing, and molecular geometry features of the prepared crystal. The structural parameters such as bond distances and angles of 3E4H4FB crystal were discussed. The B3LYP/6-311G(d,p) level of theory was used to do optimize the structure, and the computed results reveal that the optimized geometry can perfectly replicate the crystal structure. The inter- and intramolecular hydrogen bonding interactions were also interpreted. Hirshfeld surface analysis was used to elucidate and quantify the intermolecular interactions between the molecules in the crystal structure. FTIR analysis was applied to identify the characteristic functional groups of the synthesized crystal. Natural bond orbital (NBO) and Quantum Theory of Atoms in Molecules (QTAIM) analyzes of the molecule were also used to quantify interactions present in the molecule. The excitation wavelengths, oscillator strengths, and excitation energies were determined by the TD-DFT calculations and compared to the experimental wavelengths. The charge transfer within the molecule was explained by the frontier molecular orbital analysis. Nonlinear optical (NLO) properties were calculated to predict the electric dipole moment and first-order hyperpolarizability of the compound. The static third-order susceptibility value was measured by the Z-scan technique. Finally, the ecotoxicity impact of the novel NLO material was assessed towards fish, daphnia, and green algae. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Radoičić2021795,

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  = {2021},

date = {2021-01-01},

journal = {Composite Interfaces},

volume = {28},

number = {8},

pages = {795-808},

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}

}

@article{Mojović2021,

title = {Ruthenium containing perovskites as electrode materials for 4-nitrophenol detection},

author = {Z. Mojović and S. Petrović and M. Mojović and S. Pavlović and L. Rožić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089660184&doi=10.1016%2fj.jpcs.2020.109649&partnerID=40&md5=2178ca9e6a6a97bf29af47c7530f08d5},

doi = {10.1016/j.jpcs.2020.109649},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Physics and Chemistry of Solids},

volume = {148},

abstract = {In this paper, the relationship of structure, type of oxygen defects, valence states of Cr and Ru, and electrochemical properties of La0.7Sr0.3Cr1-XRuXO3 (0 < x < 0.1) perovskite-type oxides were studied. The samples were synthesized by a conventional solid-state reaction method and characterized by powder X-ray diffraction, X-ray fluorescence spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, and electron paramagnetic resonance spectroscopy. The electrochemical performance of these samples was evaluated towards the detection of 4-nitrophenol and strongly depends on the concentration of ruthenium incorporated in the crystal lattice. A new La0.7Sr0.3Cr0.925Ru0.075O3 electrocatalyst with a wide linear concentration range (25–5000 mM) and a detection limit of 8 mM was obtained. These results provide an opportunity for its application in the analysis of real water samples. © 2020 Elsevier Ltd},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Grippo2021,

title = {Electrophilic characteristics and aqueous behavior of fatty acid nitroalkenes},

author = {V. Grippo and M. Mojovic and A. Pavicevic and M. Kabelac and F. Hubatka and J. Turanek and M. Zatloukalova and B. A. Freeman and J. Vacek},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096158093&doi=10.1016%2fj.redox.2020.101756&partnerID=40&md5=2da8f31c4fb805691910ec16078ae42b},

doi = {10.1016/j.redox.2020.101756},

year  = {2021},

date = {2021-01-01},

journal = {Redox Biology},

volume = {38},

abstract = {Fatty acid nitroalkenes (NO2-FA) are endogenously-generated products of the reaction of metabolic and inflammatory-derived nitrogen dioxide (.NO2) with unsaturated fatty acids. These species mediate signaling actions and induce adaptive responses in preclinical models of inflammatory and metabolic diseases. The nitroalkene substituent possesses an electrophilic nature, resulting in rapid and reversible reactions with biological nucleophiles such as cysteine, thus supporting post-translational modifications (PTM) of proteins having susceptible nucleophilic centers. These reactions contribute to enzyme regulation, modulation of inflammation and cell proliferation and the regulation of gene expression responses. Herein, focus is placed on the reduction-oxidation (redox) characteristics and stability of specific NO2-FA regioisomers having biological and clinical relevance; nitro-oleic acid (NO2-OA), bis-allylic nitro-linoleic acid (NO2-LA) and the conjugated diene-containing nitro-conjugated linoleic acid (NO2-cLA). Cyclic and alternating-current voltammetry and chronopotentiometry were used to the study of reduction potentials of these NO2-FA. R–NO2 reduction was observed around −0.8 V (vs. Ag/AgCl/3 M KCl) and is related to relative NO2-FA electrophilicity. This reduction process could be utilized for the evaluation of NO2-FA stability in aqueous milieu, shown herein to be pH dependent. In addition, electron paramagnetic resonance (EPR) spectroscopy was used to define the stability of the nitroalkene moiety under aqueous conditions, specifically under conditions where nitric oxide (.NO) release could be detected. The experimental data were supported by density functional theory calculations using 6–311++G (d,p) basis set and B3LYP functional. Based on experimental and computational approaches, the relative electrophilicities of these NO2-FA are NO2-cLA >> NO2-LA > NO2-OA. Micellarization and vesiculation largely define these biophysical characteristics in aqueous, nucleophile-free conditions. At concentrations below the critical micellar concentration (CMC), monomeric NO2-FA predominate, while at greater concentrations a micellar phase consisting of self-assembled lipid structures predominates. The CMC, determined by dynamic light scattering in 0.1 M phosphate buffer (pH 7.4) at 25 °C, was 6.9 (NO2-LA) 10.6 (NO2-OA) and 42.3 μM (NO2-cLA), respectively. In aggregate, this study provides new insight into the biophysical properties of NO2-FA that are important for better understanding the cell signaling and pharmacological potential of this class of mediators. © 2020 The Authors},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Vasić202134,

title = {Influence of Thermal Treatment on Microstructure and Corrosion Behavior of Amorphous Fe40Ni40B12Si8 Alloy},

author = {M. M. Vasić and T. Žák and N. Pizúrová and I. S. Simatović and D. M. Minić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096190397&doi=10.1007%2fs11661-020-06079-3&partnerID=40&md5=7838d3136c0bdafafe0839f937d31669},

doi = {10.1007/s11661-020-06079-3},

year  = {2021},

date = {2021-01-01},

journal = {Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science},

volume = {52},

number = {1},

pages = {34-45},

abstract = {Microstructural evolution of thermally treated melt-quenched amorphous Fe40Ni40B12Si8 alloy was studied in terms of its influence on corrosion behavior of the alloy. Alloy structure was transformed gradually from purely amorphous and chemically homogeneous to fully crystalline, yielding γ-(Fe,Ni), Ni31Si12 and (Fe,Ni)2B phases as the final products. Corrosion study of the alloy in amorphous, partially crystalline as well as fully crystalline form, performed by electrochemical measurements in 0.5 M NaCl, together with the morphology examination, revealed that the microstructure and phase composition are crucial factors determining the corrosion resistance of the alloy in corrosive environment. © 2020, The Minerals, Metals & Materials Society and ASM International.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Koturevic2021106,

title = {Comparative kinetic analysis of total hypericin extraction from Hypericum perforatum flowers carried out under simultaneous external physical field and cooling reaction system operational conditions},

author = {B. Koturevic and B. Adnadjevic and J. Jovanovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096237598&doi=10.1016%2fj.cherd.2020.10.025&partnerID=40&md5=99bf6c9ac46ab6c808c1dbbf2edc8b06},

doi = {10.1016/j.cherd.2020.10.025},

year  = {2021},

date = {2021-01-01},

journal = {Chemical Engineering Research and Design},

volume = {165},

pages = {106-117},

abstract = {The comparative kinetic analysis of total hypericin (TH) extraction from the pre-extracted flowers of Hypericum perforatum carried out under simultaneous external physical field and cooling reaction system operational conditions (SEPFC) was performed. The kinetics curves of TH extraction in SEPFC were measured in the temperature range from T = 298 to 328 K. It was proved that presence of ultrasonic and microwave field cause increasing of the extraction rate compared to conventional isothermal extraction. The possibility of describing the kinetics of TH extraction in SEPFC with empirical (Elovich's model) and physically-based (film-theory model) were explored. The kinetic complexity of the process was examined with the differential isoconversional method. By applying the model-fitting method the proper kinetic model of TH extraction in SEPFC was found: [1 − (1 − α)(1/3)]2 = kM · t. The values of the extraction rate constant (kM), activation energy (Ea) and pre-exponential factor (ln A) of TH extraction were calculated. The effect of ultrasonic and microwave field on (a) kM; (b) Ea and (c) ln A of TH extraction was determined. The model mechanism of activation of hypericin molecule for extraction in SEPFC conditions was proposed. The values of wave number of resonant vibrations, vibration quantum number and anharmonicity parameter for the TH extraction are obtained. © 2020 Institution of Chemical Engineers},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milikić20211,

title = {Bimetallic co-based (Com},

author = {J. Milikić and A. Balčiūnaitė and Z. Sukackienė and D. Mladenović and D. M. F. Santos and L. Tamašauskaitė-Tamašiūnaitė and B. Šljukić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85098596435&doi=10.3390%2fma14010092&partnerID=40&md5=ac07589c38b1f55f96ef3a742f5e9f1f},

doi = {10.3390/ma14010092},

year  = {2021},

date = {2021-01-01},

journal = {Materials},

volume = {14},

number = {1},

pages = {1-15},

abstract = {Bimetallic cobalt (Co)-based coatings were prepared by a facile, fast, and low-cost electroless deposition on a copper substrate (CoFe, CoMn, CoMo) and characterized by scanning electron microscopy with energy dispersive X-ray spectroscopy and X-ray diffraction analysis. Prepared coatings were thoroughly examined for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in alkaline solution (1 M potassium hydroxide, KOH) and their activity compared to that of Co and Ni coatings. All five coatings showed activity for both reactions, where CoMo and Co showed the highest activity for HER and OER, respectively. Namely, the highest HER current density was recorded at CoMo coating with low overpotential (61 mV) to reach a current density of 10 mA·cm−2 . The highest OER current density was recorded at Co coating with a low Tafel slope of 60 mV·dec−1 . Furthermore, these coatings proved to be stable under HER and OER polarization conditions. © 2020 by the authors. Li-censee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ignjatović2021b,

title = {The Influence of In Situ Anatase Particle Addition on the Formation and Properties of Multifunctional Plasma Electrolytic Oxidation Coatings on AA2024 Aluminum Alloy},

author = {S. Ignjatović and C. Blawert and M. Serdechnova and S. Karpushenkov and M. Damjanović and P. Karlova and G. Dovzhenko and D. C. F. Wieland and B. Zeller-Plumhoff and M. Starykevich and S. Stojanović and L. Damjanović-Vasilić and M. L. Zheludkevich},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85103078141&doi=10.1002%2fadem.202001527&partnerID=40&md5=f0908c6cbfc49b742c83fddd4d92daa5},

doi = {10.1002/adem.202001527},

year  = {2021},

date = {2021-01-01},

journal = {Advanced Engineering Materials},

abstract = {Plasma electrolytic oxidation (PEO) with in situ anatase particle addition is applied to functionalize the surface of AA2024 alloy. A base potassium titanium oxide oxalate dihydrate aqueous electrolyte is used with up to 30 g L−1 anatase particle addition. The coatings’ morphology and phase composition as a function of the anatase concentration in the electrolyte are characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), and glow discharge optical emission spectroscopy (GDOES). Photocatalytic activity, stability in chloride solution, and tribological properties are also determined. The main coating forming phases are anatase and rutile on top of a mixed interface region consisting of TiAl2O5 as reaction product between the TiO2 and an Al2O3 barrier layer on top of the Al substrate. The mixed layer is extending with increasing amount of particles added, due to intensified discharges. In addition, anatase-to-rutile phase ratio increases due to the additional anatase particles in the electrolyte. Thus, the photocatalytic activity is improving with the particle addition. The coatings’ mechanical resistance is dropping first before increasing again with more particles added. Chemical and restored mechanical stability seems to be related to the extended mixed interface formation, which strengthens the bond to the substrate when more particles are added. © 2021 The Authors. Advanced Engineering Materials published by Wiley-VCH GmbH},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Vasić2021,

title = {Kinetics and influence of thermally induced crystallization of Fe,Ni-containing phases on thermomagnetic properties of Fe40Ni40B12Si8 amorphous alloy},

author = {M. M. Vasić and T. Žák and D. M. Minić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85104519208&doi=10.1007%2fs10973-021-10819-x&partnerID=40&md5=3b45d292fcdc3c963d41874830a1af9a},

doi = {10.1007/s10973-021-10819-x},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Thermal Analysis and Calorimetry},

abstract = {Thermal treatment of Fe40Ni40B12Si8 amorphous alloy leads to crystallization of various Fe and Ni-containing phases and their recrystallization, affecting the functional properties of the alloy. Kinetics of multistep crystallization of Fe40Ni40B12Si8 amorphous alloy and influence of thermally induced microstructural transformations on magnetic moment of the alloy were studied by means of structural examination, thermal analysis and thermomagnetic measurements. Temperature regions of growth and loss of magnetic moment of the alloy were correlated with the microstructural changes. Curie temperatures of the alloy in fully amorphous and fully crystallized form were observed at 620 and 910 K, respectively. Detailed kinetic study including deconvolution of the complex exothermic DTA peaks yielded Arrhenius parameters and kinetic model of individual crystallization steps, which reflect the nature of the studied processes and the alloy chemical composition. The obtained parameters and kinetic models can be used for kinetic predictions of thermal stability and functionality of the alloy. © 2021, Akadémiai Kiadó, Budapest, Hungary.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Avdović2021b,

title = {Synthesis and Biological Screening of New 4-Hydroxycoumarin Derivatives and Their Palladium(II) Complexes},

author = {E. H. Avdović and I. P. Petrović and M. J. Stevanović and L. Saso and J. M. Dimitrić Marković and N. D. Filipović and M. Ž. Živić and T. N. Cvetić Antić and M. V. Žižić and N. V. Todorović and M. Vukić and S. R. Trifunović and Z. S. Marković},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85105724813&doi=10.1155%2f2021%2f8849568&partnerID=40&md5=bf51ad49bd1a47ace950ddaa53b83d9b},

doi = {10.1155/2021/8849568},

year  = {2021},

date = {2021-01-01},

journal = {Oxidative Medicine and Cellular Longevity},

volume = {2021},

abstract = {Two newly synthesized 4-hydroxycoumarin bidentate ligands (L1 and L2) and their palladium(II) complexes (C1 and C2) were screened for their biological activities, in vitro and in vivo. Structures of new compounds were established based on elemental analysis, 1H NMR, 13C NMR, and IR spectroscopic techniques. The obtained compounds were tested for their antioxidative and cytotoxic activities and results pointed to selective antiradical activity of palladium(II) complexes towards •OH and -•OOH radicals and anti-ABTS (2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) cation radical) activity comparable to that of ascorbate. Results indicated the effect of C1 and C2 on the enzymatic activity of the antioxidative defense system. In vitro cytotoxicity assay performed on different carcinoma cell lines (HCT166, A375, and MIA PaCa-2), and one healthy fibroblast cell line (MRC-5) showed a cytotoxic effect of both C1 and C2, expressed as a decrease in carcinoma cells' viability, mostly by induction of apoptosis. In vivo toxicity tests performed on zebrafish embryos indicated different effects of C1 and C2, ranging from adverse developmental effect to no toxicity, depending on tested concentration. According to docking studies, both complexes (C1 and C2) showed better inhibitory activity in comparison to other palladium(II) complexes. © 2021 Edina H. Avdović et al.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Anićijević2021,

title = {An insight into the efficient dimethoate adsorption on graphene-based materials—a combined experimental and dft study},

author = {V. J. Anićijević and T. D. Lazarević-Pašti and V. M. Vasić and D. D. Vasić Anićijević},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85105738526&doi=10.3390%2fapp11094014&partnerID=40&md5=154c216a07b40f0ea2e10c97747cd81b},

doi = {10.3390/app11094014},

year  = {2021},

date = {2021-01-01},

journal = {Applied Sciences (Switzerland)},

volume = {11},

number = {9},

abstract = {(1) Background: The development of highly efficient methods for removing hazardous substances from the environment attracts increasing attention. Understanding the basic principles of the removal processes using graphene materials is equally essential to confirm their application efficiency and safety. (2) Methods: In this contribution, adsorption of pesticide dimethoate (DMT) on graphene-based materials has been investigated on the molecular level. (3) Results: The experimental results’ analysis revealed a cooperative binding mechanism of the DMT on the adsorption sites of investigated materials—graphene oxide (GO) and industrial graphene (IG). The adsorption data were analyzed using various adsorption isotherms to determine the thermodynamics of the adsorption process. The experimental results were correlated with Density Functional Theory (DFT) calculations of DMT adsorption on the model surfaces that appropriately describe the graphene materials’ reactive features. (4) Conclusions: Considering experimental results, calculated adsorption energies, optimized adsorption geometries, and electronic structure, it was proposed that the dispersive interactions determine the adsorption properties of DMT on plain graphene sites (physisorption). Additionally, it was shown that the existence of vacancy-type defect sites on the surfaces could induce strong and dissociative adsorption (chemisorption) of DMT. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milanovic2021215,

title = {Synthesis, structural characterization, biological activity and molecular docking study of 4,7-dihydroxycoumarinmodified by aminophenol derivatives},

author = {Ž. B. Milanovic and Z. S. Markovic and D. S. Dimic and O. R. Klisuric and I. D. Radojevic and D. S. Šeklic and M. N. Živanovic and J. D. Markovic and M. Radulovic and E. H. Avdovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85106670229&doi=10.5802%2fCRCHIM.68&partnerID=40&md5=e3c6254991e41cecf95af23791142965},

doi = {10.5802/CRCHIM.68},

year  = {2021},

date = {2021-01-01},

journal = {Comptes Rendus Chimie},

volume = {24},

number = {2},

pages = {215-232},

abstract = {In the present manuscript, three different 4,7-dihydroxycoumarin derivatives were prepared and structurally characterized by crystallographic and spectroscopic techniques in combination with the B3LYP-D3BJ theoretical method. Cytotoxic and antimicrobial activities of investigated compounds were screened against different cell lines and microorganisms. HCT-116 cells were most sensitive to the 3-(1-(2-hydroxyphenyl)amino) ethylidene)-2,4-dioxochroman-7-yl acetate derivative, while the best antimicrobial activity against Bacillus subtilis ATCC 6633 was shown by 3-(1-(2- hydroxyphenyl)amino)ethylidene)-2,4-dioxochroman-7-yl acetate. The molecular docking study for all compounds with important epidermal growth factor receptors (EGFR) was performed. The results indicate that the largest contribution to the binding energy is through conventional hydrogen bonds. © 2021 Elsevier Masson SAS. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Marinković202266,

title = {Thermal and dielectric properties of low-density polyethylene/NaA zeolite composites},

author = {F. Marinković and D. Popović and J. Jovanović and B. Stanković and S. Jevtić and B. Adnadjević},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85113336189&doi=10.1002%2fpi.6284&partnerID=40&md5=11070ba90d1109d605bef108f81757c6},

doi = {10.1002/pi.6284},

year  = {2022},

date = {2022-01-01},

journal = {Polymer International},

volume = {71},

number = {1},

pages = {66-73},

abstract = {The effect of the weight fraction of NaA zeolite on thermal properties (specific heat capacity, thermal diffusivity, thermal conductivity) and dielectric properties (electrical conductivity, real and imaginary electric permittivity) of composites based on low-density polyethylene (LDPE) and NaA zeolite is examined. Composite samples containing from 5 to 30 wt% zeolite are prepared using the compression molding technique. The degree of dispersion and the weight fraction of filler in the LDPE/NaA zeolite composites are determined using X-ray diffraction. A linear decrease in the values of the specific heat capacity with an increase in the weight fraction of zeolite is observed using differential scanning calorimetry. The laser flash method is used to determine the thermal diffusivity of the composites. An increase in effective thermal diffusivity and abrupt increase in the range from 15 to 20 wt% of zeolite are established. It is demonstrated that effective thermal conductivity increases with an increase in the weight fraction of zeolite, and an abrupt increase in the range from 15 to 20 wt% is observed. Dielectric spectroscopy measurements are performed to determine the real and imaginary parts of permittivity. An increase of real and imaginary parts of permittivity of LDPE/NaA zeolite composites, with increasing weight fraction of zeolite, is established. Two relaxation peaks of the imaginary parts of permittivity of LDPE/NaA zeolite composites are detected. An increase of electrical conductivity with increasing weight fraction of zeolite and abrupt increase in the range 15 to 20 wt% are noticed. © 2021 Society of Industrial Chemistry. © 2021 Society of Industrial Chemistry.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bosnar2022,

title = {Overcoming phase separation in dual templating: A homogeneous hierarchical ZSM-5 zeolite with flower-like morphology, synthesis and in-depth acidity study},

author = {S. Bosnar and V. Rac and D. Stošić and A. Travert and G. Postole and A. Auroux and S. Škapin and L. Damjanović-Vasilić and J. Bronić and X. Du and S. Marković and V. Pavlović and V. Rakić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85118483367&doi=10.1016%2fj.micromeso.2021.111534&partnerID=40&md5=7077404fa49ca1e0b4b19cff7d6b8341},

doi = {10.1016/j.micromeso.2021.111534},

year  = {2022},

date = {2022-01-01},

journal = {Microporous and Mesoporous Materials},

volume = {329},

abstract = {Dual templating approach, using hexadecyltrimethylammonium bromide (CTAB), was employed in an attempt to synthesize hierarchical ZSM-5 zeolite. Amount of mesoporogen and the duration of aging of the precursor were varied. Majority of the synthesis routes resulted in phase separation, yielding separate ZSM-5 and amorphous mesoporous material. The relative amounts of the two phases were dependent on the CTAB amount ratio and also significantly on the duration of precursor aging before CTAB addition. One particular combination of the two factors led to the formation of a homogeneous hierarchical form of ZSM-5 with leafy morphology, consisting of intergrown thin crystalline sheets which formed flower-like structures. The hierarchical ZSM-5 possessed significant microporous (≈95 m2/g) and highly developed mesoporous surface (≈470 m2/g), with a relatively broad distribution of mesopore sizes (<20 nm). The acidity of all samples was studied in detail. Isothermal microcalorimetry/volumetry of ammonia adsorption provided quantitative data on the number and distribution of strength of acidic sites. In situ FTIR of pyridine and collidine adsorption was used to quantify Brønsted and Lewis acid sites, and to provide information on their location - in the micropores or mesopores/external surface. The hierarchical ZSM-5 possessed both Lewis and Brønsted acidity, with Brønsted sites located mainly in the micropores. All samples were fully characterized using XRD, low temperature nitrogen adsorption, FESEM and EDS. The synthetic route used for obtaining the ZSM-5 zeolite with flower-like morphology is a simple strategy for preparing hierarchical ZSM-5 forms targeting enhanced diffusivity and accessibility of catalytically active sites. © 2021 Elsevier Inc.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kiris2022,

title = {Laser-induced breakdown spectroscopy analysis of water solutions deposited on PTFE surface: Influence of copper oxide nanoparticles and NELIBS effect},

author = {V. Kiris and J. Savovic and A. Nevar and M. Kuzmanovic and M. Nedelko and D. Rankovic and N. Tarasenko},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119849736&doi=10.1016%2fj.sab.2021.106333&partnerID=40&md5=3ed81efe1c6f8d423ec61a03d5a3ea36},

doi = {10.1016/j.sab.2021.106333},

year  = {2022},

date = {2022-01-01},

journal = {Spectrochimica Acta - Part B Atomic Spectroscopy},

volume = {187},

abstract = {The analytical potential of LIBS for the analysis of liquid solutions was evaluated using two experimental setups, one based on a TEA CO2 laser and the other in which Nd:YAG laser was used. Polytetrafluoroethylene (PTFE) was used as a substrate on which a 10 μL drop of analyte solutions with different concentrations of analyte elements, Be, Cr, Ni, Co, Pb, Tl, and V, were deposited and dried. The samples were deposited either directly on the PTFE or over the pre-deposited layer of copper oxide nanoparticles to study the influence of nanoparticles (NPs) on the ablation and plasma excitation. The obtained results imply that the presence of Cu oxide NPs does not significantly affect the analytical performance of LIBS based on TEA CO2 laser for analysis of solutions. At the same time, it was shown that plasma created by TEA CO2 laser radiation efficiently excited ablated material, making metal elements detectable in the sub-ppm concentration range. On the other hand, Cu oxide NPs significantly influence the formation and the analytical properties of plasma induced by Nd:YAG laser. Without the presence of NPs, the intensities of analyte lines were very low, unsuitable for spectrochemical analysis. At the optimal surface concentration of NPs, 0.36 mg/cm2, the intensity of analyte lines was increased more than ten times. Limits of detection of Be and Cr were 5.3 ppb and 33 ppb, with good linearity of curves of growth. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Mišović2022,

title = {Properties of free-standing graphene oxide/silver nanowires films and effects of chemical reduction and gamma irradiation},

author = {A. Mišović and D. B. Bogdanović and D. Kepić and V. Pavlović and M. Huskić and N. Hasheminejad and C. Vuye and N. Zorić and S. Jovanović},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85120943690&doi=10.1016%2fj.synthmet.2021.116980&partnerID=40&md5=2445931ce08444a4ed98bcff5ffcbfe0},

doi = {10.1016/j.synthmet.2021.116980},

year  = {2022},

date = {2022-01-01},

journal = {Synthetic Metals},

volume = {283},

abstract = {The need for stable, chemical resistant and conductive materials is on the rise in recent times. Graphene shows promising electrical conductivity and chemical stability, but the production of a continual, conductive layer is limited and expensive. Silver nanowires (AgNWs) are both conducive and economically viable, but they are sensitive to water and oxygen. In this study, graphene oxide (GO) and AgNWs were synthesized and combined in different mass ratios (3:1, 2.5:1.5, and 1:1) to obtain chemically stable composites with improved electrical properties. Composites were reduced using ascorbic acid. With the increase of AgNWs to GO mass ratio, the surface of the free-standing composite film improved: the root mean square roughness was lowered from 376 nm for GO to 168 nm for the composite with the mass ratio of GO:AgNWs 1:1, while the sheet resistance was lowered from 146 × 106 Ω/□ to 4 Ω/□. For the first time, the effects of gamma irradiation on the structure of the composites were studied. Doses of 15, 25, and 35 kGy were applied. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Rakočević2022,

title = {Ptau nanoparticles supported by reduced graphene oxide as a highly active catalyst for hydrogen evolution},

author = {L. Rakočević and I. S. Simatović and A. Maksić and V. Rajić and S. Štrbac and I. Srejić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122024529&doi=10.3390%2fcatal12010043&partnerID=40&md5=f9001f6ed4fbad293463a76d7dee375c},

doi = {10.3390/catal12010043},

year  = {2022},

date = {2022-01-01},

journal = {Catalysts},

volume = {12},

number = {1},

abstract = {PtAu nanoparticles spontaneously deposited on graphene support, PtAu/rGO, have shown remarkably high catalytic activity for hydrogen evolution reaction (HER) in sulfuric acid solution. SEM images of the PtAu/rGO electrode surface showed that Pt nanoparticles that are non-uniform in size occupy both the edges of previously deposited uniform Au nanoparticles and the edges of graphene support. XPS analysis showed that the atomic percentages of Au and Pt in PtAu/rGO were 0.6% and 0.3%, respectively. The atomic percentage of Au alone on previously prepared Au/rGO was 0.7%. Outstanding HER activity was achieved for the PtAu/rGO electrode, showing the initial potential close to the equilibrium potential for HER and a low Tafel slope of −38 mV/dec. This was confirmed by electrochemical impedance spectroscopy. The chronoamperometric measurement performed for 40 min for hydrogen evolution at a constant potential indicated good stability and durability of the PtAu/rGO electrode. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Shobana2022b,

title = {Structural, spectroscopic (IR, Raman, and NMR), quantum chemical, and molecular docking analysis of (E)-2-(2,5-dimethoxybenzylidene)hydrazinecarbothioamide and its dimers},

author = {D. Shobana and S. Sudha and D. Ramarajan and N. Ristivojević and A. Rakić and D. Dimić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85113281194&doi=10.1016%2fj.molstruc.2021.131277&partnerID=40&md5=0717d1bc9b0c009cc8227b7a2b4aeb1d},

doi = {10.1016/j.molstruc.2021.131277},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1247},

abstract = {Thiosemicarbazides are an important class of compounds with pronounced biological activities. In this contribution, the crystallographic structure of (E)-2-(2,5-dimethoxybenzylidene)hydrazinecarbothioamide (DBH) was described, and further spectroscopic studies (IR, Raman, 1H, and 13C NMR) studies were performed. Several density functional theory functionals (B3LYP, CAM-B3LYP, APFD, PBEPBE, M05-2X, and M06-2X) in conjunction with 6-311++G(d,p) were applied for the optimization of the structure. The highest resemblance to the crystallographic structure was obtained for structure optimized at M05-2X/6-311++G(d,p) level of theory. This structure was further used for the prediction of IR, Raman, and NMR spectra. The detailed vibrational and NMR analysis, with the most prominent bands assigned, proved that the experimental and theoretical spectra match well and that the obtained level of theory was suitable for the description of structure. Special emphasis was put on the analysis of dimers of DBH and water/DMSO-DBH structures to examine specific interactions. Natural Bond Orbital (NBO) and Quantum Atoms in Molecules (QTAIM) theories were applied for the quantification of the strength of these interactions. The most active positions were outlined through the calculation of the Fukui functions. A molecular docking study of DBH was performed towards Polo-like Kinase 1 (PLK1) to investigate the potential antitumor activity and the results were compared to volasertib. Specific interactions and binding affinities of monomers and dimers of DBH were discussed. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Trtica2022,

title = {TEA CO2 Laser – Polymethyl Methacrylate Interaction: LIBS Hydrogen Analysis},

author = {M. Trtica and M. Kuzmanovic and J. Savovic and D. Rankovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85116527433&doi=10.1016%2fj.apsusc.2021.151424&partnerID=40&md5=b3945efddf1e05e8b4ce880fe61aa515},

doi = {10.1016/j.apsusc.2021.151424},

year  = {2022},

date = {2022-01-01},

journal = {Applied Surface Science},

volume = {572},

abstract = {The interaction of a Transversely Excited Atmospheric (TEA) CO2 laser with a polymer polymethyl methacrylate (PMMA) sample in a vacuum ambiance was studied. The main goal was to demonstrate the feasibility of laser-induced breakdown spectroscopy (LIBS) to detect hydrogen. The generation of plasma over the PMMA surface, using a low laser intensity of ∼ 48 MW/cm2 and fluence of ∼ 16.5 J/cm2, required the application of a metal sub-target. Besides hydrogen, the recorded spectra were dominated by atomic lines of carbon and oxygen and band emission of the C2 and CN molecules. The electron number density and temperature (ionic, vibrational, and rotational) were evaluated to characterize the laser-induced plasma. In addition, PMMA micro-damages (diameter ∼ 45 µm) created by a multipulse laser ablation could find potential applications in sensor technologies. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milovanović2022,

title = {Alkaline earth cations binding mode tailors excited-state charge transfer properties of guanine quadruplex: A TDDFT study},

author = {B. Milovanović and M. Petković and M. Etinski},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119192126&doi=10.1016%2fj.saa.2021.120584&partnerID=40&md5=f14bec88769f951c225f237bd93b8211},

doi = {10.1016/j.saa.2021.120584},

year  = {2022},

date = {2022-01-01},

journal = {Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy},

volume = {267},

abstract = {Quadruplexes formed by nucleic acids and their derivates tend to chelate different monovalent and bivalent cations, which simultaneously affect their excited electronic states properties. Cation binding to every and every other cavity of the central ion channel could be exploited for tuning exited-state charge transfer properties. In this work we utilize set of descriptors constructed on the basis of the one-electron transition density matrix obtained using linear-response TDDFT to study excited states properties of four crystallized tetramolecular quadruplexes that chelate alkaline earth cations (Ca2+, Sr2+ and Ba2+). Here, we show that alkaline earth cations situated at adjacent vacancies promote existence of the nucleobase-metal charge separation (CS) states, contrary to the structures with cations that occupy every second available vacancy. We argued that stabilization of these CS states is due to the strong electric field that stabilizes d orbitals of the cations which accept an excited-electron. Moreover, CS content is increased and redshifted below the first bright transition when number of the chelated cations is increased. Hydration effects stabilized CS states and increased their relative content. We also identified electron detachment states in the broad energy range for the Ca2+ containing system. These findings are valuable for understanding and development of the novel nanostructures based on the quadruplex scaffold with adjustable optical properties. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Shobana2022,

title = {Synthesis, crystal structure, spectral characterization and Hirshfeld surface analysis of (E)-N′-(3-ethoxy-4-hydroxybenzylidene)-4-fluorobenzohydrazide single-crystal – a novel NLO active material},

author = {D. Shobana and S. Sudha and D. Ramarajan and D. Dimić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119415061&doi=10.1016%2fj.molstruc.2021.131856&partnerID=40&md5=84488b887e93db54b3a1cec830fcb61d},

doi = {10.1016/j.molstruc.2021.131856},

year  = {2022},

date = {2022-01-01},

journal = {Journal of Molecular Structure},

volume = {1250},

abstract = {(E)-N′-(3-ethoxy-4-hydroxybenzylidene)-4-fluorobenzohydrazide (3E4H4FB) single crystal was obtained by recrystallization method. Single-crystal X-ray diffraction analysis revealed the crystalline structure, packing, and molecular geometry features of the prepared crystal. The structural parameters such as bond distances and angles of 3E4H4FB crystal were discussed. The B3LYP/6-311G(d,p) level of theory was used to do optimize the structure, and the computed results reveal that the optimized geometry can perfectly replicate the crystal structure. The inter- and intramolecular hydrogen bonding interactions were also interpreted. Hirshfeld surface analysis was used to elucidate and quantify the intermolecular interactions between the molecules in the crystal structure. FTIR analysis was applied to identify the characteristic functional groups of the synthesized crystal. Natural bond orbital (NBO) and Quantum Theory of Atoms in Molecules (QTAIM) analyzes of the molecule were also used to quantify interactions present in the molecule. The excitation wavelengths, oscillator strengths, and excitation energies were determined by the TD-DFT calculations and compared to the experimental wavelengths. The charge transfer within the molecule was explained by the frontier molecular orbital analysis. Nonlinear optical (NLO) properties were calculated to predict the electric dipole moment and first-order hyperpolarizability of the compound. The static third-order susceptibility value was measured by the Z-scan technique. Finally, the ecotoxicity impact of the novel NLO material was assessed towards fish, daphnia, and green algae. © 2021 Elsevier B.V.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Radoičić2021795,

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  = {2021},

date = {2021-01-01},

journal = {Composite Interfaces},

volume = {28},

number = {8},

pages = {795-808},

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}

}

@article{Mojović2021,

title = {Ruthenium containing perovskites as electrode materials for 4-nitrophenol detection},

author = {Z. Mojović and S. Petrović and M. Mojović and S. Pavlović and L. Rožić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089660184&doi=10.1016%2fj.jpcs.2020.109649&partnerID=40&md5=2178ca9e6a6a97bf29af47c7530f08d5},

doi = {10.1016/j.jpcs.2020.109649},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Physics and Chemistry of Solids},

volume = {148},

abstract = {In this paper, the relationship of structure, type of oxygen defects, valence states of Cr and Ru, and electrochemical properties of La0.7Sr0.3Cr1-XRuXO3 (0 < x < 0.1) perovskite-type oxides were studied. The samples were synthesized by a conventional solid-state reaction method and characterized by powder X-ray diffraction, X-ray fluorescence spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, and electron paramagnetic resonance spectroscopy. The electrochemical performance of these samples was evaluated towards the detection of 4-nitrophenol and strongly depends on the concentration of ruthenium incorporated in the crystal lattice. A new La0.7Sr0.3Cr0.925Ru0.075O3 electrocatalyst with a wide linear concentration range (25–5000 mM) and a detection limit of 8 mM was obtained. These results provide an opportunity for its application in the analysis of real water samples. © 2020 Elsevier Ltd},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Grippo2021,

title = {Electrophilic characteristics and aqueous behavior of fatty acid nitroalkenes},

author = {V. Grippo and M. Mojovic and A. Pavicevic and M. Kabelac and F. Hubatka and J. Turanek and M. Zatloukalova and B. A. Freeman and J. Vacek},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096158093&doi=10.1016%2fj.redox.2020.101756&partnerID=40&md5=2da8f31c4fb805691910ec16078ae42b},

doi = {10.1016/j.redox.2020.101756},

year  = {2021},

date = {2021-01-01},

journal = {Redox Biology},

volume = {38},

abstract = {Fatty acid nitroalkenes (NO2-FA) are endogenously-generated products of the reaction of metabolic and inflammatory-derived nitrogen dioxide (.NO2) with unsaturated fatty acids. These species mediate signaling actions and induce adaptive responses in preclinical models of inflammatory and metabolic diseases. The nitroalkene substituent possesses an electrophilic nature, resulting in rapid and reversible reactions with biological nucleophiles such as cysteine, thus supporting post-translational modifications (PTM) of proteins having susceptible nucleophilic centers. These reactions contribute to enzyme regulation, modulation of inflammation and cell proliferation and the regulation of gene expression responses. Herein, focus is placed on the reduction-oxidation (redox) characteristics and stability of specific NO2-FA regioisomers having biological and clinical relevance; nitro-oleic acid (NO2-OA), bis-allylic nitro-linoleic acid (NO2-LA) and the conjugated diene-containing nitro-conjugated linoleic acid (NO2-cLA). Cyclic and alternating-current voltammetry and chronopotentiometry were used to the study of reduction potentials of these NO2-FA. R–NO2 reduction was observed around −0.8 V (vs. Ag/AgCl/3 M KCl) and is related to relative NO2-FA electrophilicity. This reduction process could be utilized for the evaluation of NO2-FA stability in aqueous milieu, shown herein to be pH dependent. In addition, electron paramagnetic resonance (EPR) spectroscopy was used to define the stability of the nitroalkene moiety under aqueous conditions, specifically under conditions where nitric oxide (.NO) release could be detected. The experimental data were supported by density functional theory calculations using 6–311++G (d,p) basis set and B3LYP functional. Based on experimental and computational approaches, the relative electrophilicities of these NO2-FA are NO2-cLA >> NO2-LA > NO2-OA. Micellarization and vesiculation largely define these biophysical characteristics in aqueous, nucleophile-free conditions. At concentrations below the critical micellar concentration (CMC), monomeric NO2-FA predominate, while at greater concentrations a micellar phase consisting of self-assembled lipid structures predominates. The CMC, determined by dynamic light scattering in 0.1 M phosphate buffer (pH 7.4) at 25 °C, was 6.9 (NO2-LA) 10.6 (NO2-OA) and 42.3 μM (NO2-cLA), respectively. In aggregate, this study provides new insight into the biophysical properties of NO2-FA that are important for better understanding the cell signaling and pharmacological potential of this class of mediators. © 2020 The Authors},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Vasić202134,

title = {Influence of Thermal Treatment on Microstructure and Corrosion Behavior of Amorphous Fe40Ni40B12Si8 Alloy},

author = {M. M. Vasić and T. Žák and N. Pizúrová and I. S. Simatović and D. M. Minić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096190397&doi=10.1007%2fs11661-020-06079-3&partnerID=40&md5=7838d3136c0bdafafe0839f937d31669},

doi = {10.1007/s11661-020-06079-3},

year  = {2021},

date = {2021-01-01},

journal = {Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science},

volume = {52},

number = {1},

pages = {34-45},

abstract = {Microstructural evolution of thermally treated melt-quenched amorphous Fe40Ni40B12Si8 alloy was studied in terms of its influence on corrosion behavior of the alloy. Alloy structure was transformed gradually from purely amorphous and chemically homogeneous to fully crystalline, yielding γ-(Fe,Ni), Ni31Si12 and (Fe,Ni)2B phases as the final products. Corrosion study of the alloy in amorphous, partially crystalline as well as fully crystalline form, performed by electrochemical measurements in 0.5 M NaCl, together with the morphology examination, revealed that the microstructure and phase composition are crucial factors determining the corrosion resistance of the alloy in corrosive environment. © 2020, The Minerals, Metals & Materials Society and ASM International.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Koturevic2021106,

title = {Comparative kinetic analysis of total hypericin extraction from Hypericum perforatum flowers carried out under simultaneous external physical field and cooling reaction system operational conditions},

author = {B. Koturevic and B. Adnadjevic and J. Jovanovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85096237598&doi=10.1016%2fj.cherd.2020.10.025&partnerID=40&md5=99bf6c9ac46ab6c808c1dbbf2edc8b06},

doi = {10.1016/j.cherd.2020.10.025},

year  = {2021},

date = {2021-01-01},

journal = {Chemical Engineering Research and Design},

volume = {165},

pages = {106-117},

abstract = {The comparative kinetic analysis of total hypericin (TH) extraction from the pre-extracted flowers of Hypericum perforatum carried out under simultaneous external physical field and cooling reaction system operational conditions (SEPFC) was performed. The kinetics curves of TH extraction in SEPFC were measured in the temperature range from T = 298 to 328 K. It was proved that presence of ultrasonic and microwave field cause increasing of the extraction rate compared to conventional isothermal extraction. The possibility of describing the kinetics of TH extraction in SEPFC with empirical (Elovich's model) and physically-based (film-theory model) were explored. The kinetic complexity of the process was examined with the differential isoconversional method. By applying the model-fitting method the proper kinetic model of TH extraction in SEPFC was found: [1 − (1 − α)(1/3)]2 = kM · t. The values of the extraction rate constant (kM), activation energy (Ea) and pre-exponential factor (ln A) of TH extraction were calculated. The effect of ultrasonic and microwave field on (a) kM; (b) Ea and (c) ln A of TH extraction was determined. The model mechanism of activation of hypericin molecule for extraction in SEPFC conditions was proposed. The values of wave number of resonant vibrations, vibration quantum number and anharmonicity parameter for the TH extraction are obtained. © 2020 Institution of Chemical Engineers},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milikić20211,

title = {Bimetallic co-based (Com},

author = {J. Milikić and A. Balčiūnaitė and Z. Sukackienė and D. Mladenović and D. M. F. Santos and L. Tamašauskaitė-Tamašiūnaitė and B. Šljukić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85098596435&doi=10.3390%2fma14010092&partnerID=40&md5=ac07589c38b1f55f96ef3a742f5e9f1f},

doi = {10.3390/ma14010092},

year  = {2021},

date = {2021-01-01},

journal = {Materials},

volume = {14},

number = {1},

pages = {1-15},

abstract = {Bimetallic cobalt (Co)-based coatings were prepared by a facile, fast, and low-cost electroless deposition on a copper substrate (CoFe, CoMn, CoMo) and characterized by scanning electron microscopy with energy dispersive X-ray spectroscopy and X-ray diffraction analysis. Prepared coatings were thoroughly examined for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in alkaline solution (1 M potassium hydroxide, KOH) and their activity compared to that of Co and Ni coatings. All five coatings showed activity for both reactions, where CoMo and Co showed the highest activity for HER and OER, respectively. Namely, the highest HER current density was recorded at CoMo coating with low overpotential (61 mV) to reach a current density of 10 mA·cm−2 . The highest OER current density was recorded at Co coating with a low Tafel slope of 60 mV·dec−1 . Furthermore, these coatings proved to be stable under HER and OER polarization conditions. © 2020 by the authors. Li-censee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ignjatović2021b,

title = {The Influence of In Situ Anatase Particle Addition on the Formation and Properties of Multifunctional Plasma Electrolytic Oxidation Coatings on AA2024 Aluminum Alloy},

author = {S. Ignjatović and C. Blawert and M. Serdechnova and S. Karpushenkov and M. Damjanović and P. Karlova and G. Dovzhenko and D. C. F. Wieland and B. Zeller-Plumhoff and M. Starykevich and S. Stojanović and L. Damjanović-Vasilić and M. L. Zheludkevich},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85103078141&doi=10.1002%2fadem.202001527&partnerID=40&md5=f0908c6cbfc49b742c83fddd4d92daa5},

doi = {10.1002/adem.202001527},

year  = {2021},

date = {2021-01-01},

journal = {Advanced Engineering Materials},

abstract = {Plasma electrolytic oxidation (PEO) with in situ anatase particle addition is applied to functionalize the surface of AA2024 alloy. A base potassium titanium oxide oxalate dihydrate aqueous electrolyte is used with up to 30 g L−1 anatase particle addition. The coatings’ morphology and phase composition as a function of the anatase concentration in the electrolyte are characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), and glow discharge optical emission spectroscopy (GDOES). Photocatalytic activity, stability in chloride solution, and tribological properties are also determined. The main coating forming phases are anatase and rutile on top of a mixed interface region consisting of TiAl2O5 as reaction product between the TiO2 and an Al2O3 barrier layer on top of the Al substrate. The mixed layer is extending with increasing amount of particles added, due to intensified discharges. In addition, anatase-to-rutile phase ratio increases due to the additional anatase particles in the electrolyte. Thus, the photocatalytic activity is improving with the particle addition. The coatings’ mechanical resistance is dropping first before increasing again with more particles added. Chemical and restored mechanical stability seems to be related to the extended mixed interface formation, which strengthens the bond to the substrate when more particles are added. © 2021 The Authors. Advanced Engineering Materials published by Wiley-VCH GmbH},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Vasić2021,

title = {Kinetics and influence of thermally induced crystallization of Fe,Ni-containing phases on thermomagnetic properties of Fe40Ni40B12Si8 amorphous alloy},

author = {M. M. Vasić and T. Žák and D. M. Minić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85104519208&doi=10.1007%2fs10973-021-10819-x&partnerID=40&md5=3b45d292fcdc3c963d41874830a1af9a},

doi = {10.1007/s10973-021-10819-x},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Thermal Analysis and Calorimetry},

abstract = {Thermal treatment of Fe40Ni40B12Si8 amorphous alloy leads to crystallization of various Fe and Ni-containing phases and their recrystallization, affecting the functional properties of the alloy. Kinetics of multistep crystallization of Fe40Ni40B12Si8 amorphous alloy and influence of thermally induced microstructural transformations on magnetic moment of the alloy were studied by means of structural examination, thermal analysis and thermomagnetic measurements. Temperature regions of growth and loss of magnetic moment of the alloy were correlated with the microstructural changes. Curie temperatures of the alloy in fully amorphous and fully crystallized form were observed at 620 and 910 K, respectively. Detailed kinetic study including deconvolution of the complex exothermic DTA peaks yielded Arrhenius parameters and kinetic model of individual crystallization steps, which reflect the nature of the studied processes and the alloy chemical composition. The obtained parameters and kinetic models can be used for kinetic predictions of thermal stability and functionality of the alloy. © 2021, Akadémiai Kiadó, Budapest, Hungary.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Avdović2021b,

title = {Synthesis and Biological Screening of New 4-Hydroxycoumarin Derivatives and Their Palladium(II) Complexes},

author = {E. H. Avdović and I. P. Petrović and M. J. Stevanović and L. Saso and J. M. Dimitrić Marković and N. D. Filipović and M. Ž. Živić and T. N. Cvetić Antić and M. V. Žižić and N. V. Todorović and M. Vukić and S. R. Trifunović and Z. S. Marković},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85105724813&doi=10.1155%2f2021%2f8849568&partnerID=40&md5=bf51ad49bd1a47ace950ddaa53b83d9b},

doi = {10.1155/2021/8849568},

year  = {2021},

date = {2021-01-01},

journal = {Oxidative Medicine and Cellular Longevity},

volume = {2021},

abstract = {Two newly synthesized 4-hydroxycoumarin bidentate ligands (L1 and L2) and their palladium(II) complexes (C1 and C2) were screened for their biological activities, in vitro and in vivo. Structures of new compounds were established based on elemental analysis, 1H NMR, 13C NMR, and IR spectroscopic techniques. The obtained compounds were tested for their antioxidative and cytotoxic activities and results pointed to selective antiradical activity of palladium(II) complexes towards •OH and -•OOH radicals and anti-ABTS (2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) cation radical) activity comparable to that of ascorbate. Results indicated the effect of C1 and C2 on the enzymatic activity of the antioxidative defense system. In vitro cytotoxicity assay performed on different carcinoma cell lines (HCT166, A375, and MIA PaCa-2), and one healthy fibroblast cell line (MRC-5) showed a cytotoxic effect of both C1 and C2, expressed as a decrease in carcinoma cells' viability, mostly by induction of apoptosis. In vivo toxicity tests performed on zebrafish embryos indicated different effects of C1 and C2, ranging from adverse developmental effect to no toxicity, depending on tested concentration. According to docking studies, both complexes (C1 and C2) showed better inhibitory activity in comparison to other palladium(II) complexes. © 2021 Edina H. Avdović et al.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Anićijević2021,

title = {An insight into the efficient dimethoate adsorption on graphene-based materials—a combined experimental and dft study},

author = {V. J. Anićijević and T. D. Lazarević-Pašti and V. M. Vasić and D. D. Vasić Anićijević},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85105738526&doi=10.3390%2fapp11094014&partnerID=40&md5=154c216a07b40f0ea2e10c97747cd81b},

doi = {10.3390/app11094014},

year  = {2021},

date = {2021-01-01},

journal = {Applied Sciences (Switzerland)},

volume = {11},

number = {9},

abstract = {(1) Background: The development of highly efficient methods for removing hazardous substances from the environment attracts increasing attention. Understanding the basic principles of the removal processes using graphene materials is equally essential to confirm their application efficiency and safety. (2) Methods: In this contribution, adsorption of pesticide dimethoate (DMT) on graphene-based materials has been investigated on the molecular level. (3) Results: The experimental results’ analysis revealed a cooperative binding mechanism of the DMT on the adsorption sites of investigated materials—graphene oxide (GO) and industrial graphene (IG). The adsorption data were analyzed using various adsorption isotherms to determine the thermodynamics of the adsorption process. The experimental results were correlated with Density Functional Theory (DFT) calculations of DMT adsorption on the model surfaces that appropriately describe the graphene materials’ reactive features. (4) Conclusions: Considering experimental results, calculated adsorption energies, optimized adsorption geometries, and electronic structure, it was proposed that the dispersive interactions determine the adsorption properties of DMT on plain graphene sites (physisorption). Additionally, it was shown that the existence of vacancy-type defect sites on the surfaces could induce strong and dissociative adsorption (chemisorption) of DMT. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milanovic2021215,

title = {Synthesis, structural characterization, biological activity and molecular docking study of 4,7-dihydroxycoumarinmodified by aminophenol derivatives},

author = {Ž. B. Milanovic and Z. S. Markovic and D. S. Dimic and O. R. Klisuric and I. D. Radojevic and D. S. Šeklic and M. N. Živanovic and J. D. Markovic and M. Radulovic and E. H. Avdovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85106670229&doi=10.5802%2fCRCHIM.68&partnerID=40&md5=e3c6254991e41cecf95af23791142965},

doi = {10.5802/CRCHIM.68},

year  = {2021},

date = {2021-01-01},

journal = {Comptes Rendus Chimie},

volume = {24},

number = {2},

pages = {215-232},

abstract = {In the present manuscript, three different 4,7-dihydroxycoumarin derivatives were prepared and structurally characterized by crystallographic and spectroscopic techniques in combination with the B3LYP-D3BJ theoretical method. Cytotoxic and antimicrobial activities of investigated compounds were screened against different cell lines and microorganisms. HCT-116 cells were most sensitive to the 3-(1-(2-hydroxyphenyl)amino) ethylidene)-2,4-dioxochroman-7-yl acetate derivative, while the best antimicrobial activity against Bacillus subtilis ATCC 6633 was shown by 3-(1-(2- hydroxyphenyl)amino)ethylidene)-2,4-dioxochroman-7-yl acetate. The molecular docking study for all compounds with important epidermal growth factor receptors (EGFR) was performed. The results indicate that the largest contribution to the binding energy is through conventional hydrogen bonds. © 2021 Elsevier Masson SAS. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}