ФФХ – научне вести

@article{Lipovka2022,

title = {Surface-Enhanced Raman Spectroscopy and Electrochemistry: The Ultimate Chemical Sensing and Manipulation Combination},

author = {A. Lipovka and M. Fatkullin and A. Averkiev and M. Pavlova and A. Adiraju and S. Weheabby and A. Al-Hamry and O. Kanoun and I. Pašti and T. Lazarevic-Pasti and R. D. Rodriguez and E. Sheremet},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85129331447&doi=10.1080%2f10408347.2022.2063683&partnerID=40&md5=cada5aaf671ed72c3f49a23064f42734},

doi = {10.1080/10408347.2022.2063683},

year  = {2022},

date = {2022-01-01},

journal = {Critical Reviews in Analytical Chemistry},

abstract = {One of the lessons we learned from the COVID-19 pandemic is that the need for ultrasensitive detection systems is now more critical than ever. While sensors’ sensitivity, portability, selectivity, and low cost are crucial, new ways to couple synergistic methods enable the highest performance levels. This review article critically discusses the synergetic combinations of optical and electrochemical methods. We also discuss three key application fields—energy, biomedicine, and environment. Finally, we selected the most promising approaches and examples, the open challenges in sensing, and ways to overcome them. We expect this work to set a clear reference for developing and understanding strategies, pros and cons of different combinations of electrochemical and optical sensors integrated into a single device. © 2022 Taylor & Francis Group, LLC.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Stojanović2022,

title = {Photocatalytic performance of TiO2/zeolites under simulated solar light for removal of atenolol from aqueous solution},

author = {S. Stojanović and M. Vranješ and Z. Šaponjić and V. Rac and V. Rakić and L. Ignjatović and L. Damjanović-Vasilić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85132545526&doi=10.1007%2fs13762-022-04305-6&partnerID=40&md5=f08bb2e38e8f01dc4175cf2efc0447a6},

doi = {10.1007/s13762-022-04305-6},

year  = {2022},

date = {2022-01-01},

journal = {International Journal of Environmental Science and Technology},

abstract = {Removal of the β-blocker atenolol from an aqueous solution was studied using TiO2/zeolites, prepared by a simple and cost-effective solid-state dispersion method. Synthetic zeolites 13X and ZSM-5 (Si/Al = 40) and natural zeolite clinoptilolite were used as one component of the hybrid materials, whereas TiO2 nanocrystals obtained from TiO2 nanotubes and P25 TiO2 nanoparticles were used as the other. The synthesized materials were characterized by X-ray powder diffraction, transmission electron microscopy, Fourier transformed infrared spectroscopy, ultraviolet–visible diffuse reflectance spectroscopy and scanning electron microscopy with energy-dispersive spectroscopy. The photocatalytic activity for the degradation of atenolol was investigated under simulated solar light. Additionally, the effect of initial pH on atenolol removal and the reusability of prepared catalysts were tested. The best loading of TiO2 was 20 wt% over all investigated zeolites. The degradation of atenolol followed the pseudo-first-order kinetics. The photocatalytic degradation of atenolol after 70 min of irradiation was ~ 50% for TiO2/13X materials, ~ 45% for clinoptilolite combined with P25 TiO2 and ~ 57% for clinoptilolite combined with TiO2 nanocrystals obtained from TiO2 nanotubes. The results showed the highest removal efficiency after 70 min of irradiation for ZSM-5 combined with P25 TiO2 (~ 94%), followed by ZSM-5 combined with TiO2 nanocrystals obtained from TiO2 nanotubes (~ 88%) at near-neutral pH (~ 6.5). The total removal of atenolol from an aqueous solution for TiO2/ZSM-5 materials resulted from two processes: adsorption and photocatalytic degradation. The TiO2/ZSM-5 photocatalysts can be easily recovered and reused as their activity was preserved after four cycles. © 2022, The Author(s) under exclusive licence to Iranian Society of Environmentalists (IRSEN) and Science and Research Branch, Islamic Azad University.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Božović20221035,

title = {Oxide coatings with immobilized Ce-ZSM5 as visible light photocatalysts [ФОТОКАТАЛИТИЧКИ ОКСИДНИ СЛОЈЕВИ СА ИМОБИЛИСАНИМ CE-ZSM5 ЗЕОЛИТОМ]},

author = {N. Božović and K. Mojsilović and S. Stojanović and L. Damjanović-Vasilić and M. Serdechnova and C. Blawert and M. L. Zheludkevich and S. Stojadinović and R. Vasilić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139820777&doi=10.2298%2fJSC211203058B&partnerID=40&md5=9d0cac3ed969c308bab41ee520bc38a1},

doi = {10.2298/JSC211203058B},

year  = {2022},

date = {2022-01-01},

journal = {Journal of the Serbian Chemical Society},

volume = {87},

number = {9},

pages = {1035-1048},

abstract = {The preparation and properties of oxide coatings with immobilized ZSM-5 zeolite obtained by plasma electrolytic oxidation on aluminum support were investigated and discussed. Pure and Ce-exchanged ZSM-5 were immobilized on aluminum supports from a silicate-based electrolyte under ultra-low duty cycle pulsed direct current conditions. The obtained composite coatings were characterized with respect to their morphology, phase and chemical composition, as well as photocatalytic activity and anti-corrosion properties. All mentioned properties of the obtained coatings were dependent on the processing time. The coatings with Ce-exchanged ZSM-5 showed higher photocatalytic activity and more effective corrosion protection than those with pure ZSM-5. The highest photocatalytic activity was observed for coatings processed for 30 min. It is suggested that the surface morphology, Ce-content and number of defects influenced the photocatalytic activity of the composite coatings. © 2022 Serbian Chemical Society. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Jović-Jovičić202241,

title = {Electrochemical properties of carbonized bentonite [ЕЛЕКТРОХЕМИЈСКА СВОЈСТВА КАРБОНИЗОВАНИХ БЕНТОНИТА]},

author = {N. P. Jović-Jovičić and D. V. Bajuk Bogdanović and T. B. Novaković and P. T. Banković and A. D. Milutinović-Nikolić and Z. D. Mojović},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85147160737&doi=10.2298%2fJSC220127030J&partnerID=40&md5=5f8678d200389da3326fec699ef03749},

doi = {10.2298/JSC220127030J},

year  = {2022},

date = {2022-01-01},

journal = {Journal of the Serbian Chemical Society},

volume = {88},

number = {1},

pages = {41-54},

abstract = {Organomodified bentonites were obtained by modification of bentonite clay from local mine Bogovina, with four different alkylammonium ions in the amounts that correspond to cation exchange capacity. Carbonized bentonites, obtained by pyrolyzing the organomodified bentonites in the flow of nitrogen, were characterized using XRD, low-temperature N2 physisorption and Raman spectroscopy. Structural and textural properties of carbonized bentonites depended on the arrangement of alkylammonium cations in the paternal organomodified bentonite, while the Raman spectroscopy confirmed the presence of amorphous carbon. The obtained carbonized bentonites were used for modification of the carbon paste electrode. The modified electrodes were investigated using cyclic voltammetry and electrochemical impedance spectroscopy. The electrosorption of chloride and sulfate anions on carbonized bentonites was studied by chronocoulometry. The results were interpreted in the terms of surface groups and textural properties of the carbonized bentonites. © 2022 Serbian Chemical Society. All rights reserved.},

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{Čupić20223,

title = {Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism},

author = {Ž. Čupić and S. Maćešić and S. Anić and L. Kolar-Anić and A. Ivanović-Šašić and K. Novakovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122670786&doi=10.1007%2fs11144-021-02148-9&partnerID=40&md5=bcaa10c0f8d1471eb484e18694c07a87},

doi = {10.1007/s11144-021-02148-9},

year  = {2022},

date = {2022-01-01},

journal = {Reaction Kinetics, Mechanisms and Catalysis},

volume = {135},

number = {1},

pages = {3-14},

abstract = {The study presents a mathematical model of Bruk Temkin-Gorodsky Novakovic (BT-GN) reaction system employing palladium-catalyzed oscillatory carbonylation reaction of mono alkyne-terminated poly(ethylene glycol) methyl ether. The proposed model advances simulation capabilities of this particular chemical oscillator but also BT-GN reactions in general. The model was verified using experimental data where good agreement is achieved and existence of complex pH oscillations like burst oscillations was matched. Furthermore, the model was used to predict reaction conditions capable of producing further complexities and initial conditions that would lead to desired period of pH oscillations. Having such a powerful tool, enhances our capabilities to study and further develop BT-GN oscillators with a reduced experimental effort. © 2022, Akadémiai Kiadó, Budapest, Hungary.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milojević-Rakić2022265,

title = {MFI, BEA and FAU zeolite scavenging role in neonicotinoids and radical species elimination},

author = {M. Milojević-Rakić and D. Popadić and A. Janošević Ležaić and A. Jevremović and B. Nedić Vasiljević and S. Uskoković-Marković and D. Bajuk-Bogdanović},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125211909&doi=10.1039%2fd1em00437a&partnerID=40&md5=3b7d2c4f66a95446b63e39a86839c5c1},

doi = {10.1039/d1em00437a},

year  = {2022},

date = {2022-01-01},

journal = {Environmental Science: Processes and Impacts},

volume = {24},

number = {2},

pages = {265-276},

abstract = {Ecotoxicity caused by neonicotinoid pesticides is largely due to oxidative stress on non-target species. Due to the fact that reactive radical species reach the environment, materials intended for pesticide removal should be applicable for the simultaneous removal of reactive radicals, as well. This work uses the spectroscopic, adsorptive and antioxidant responses from MFI, FAU and BEA zeolites as descriptors of their potential environmental importance. Different network structures and Si/Al ratios were correlated with excellent zeolite adsorption properties, as over 200 mg g-1 of investigated neonicotinoids, acetamiprid and imidacloprid, was achieved in one cycle. Additionally, after two regeneration steps, over 450 mg g-1 adsorbed pesticides were retained, in three adsorption cycles. Overall the best results were detected for the FAU zeotype in both tested applications, insecticide adsorption and radical-scavenging performance, with and without insecticides present. The proposed mechanism for adsorption relies on kinetic investigation, isotherm modelling and spectroscopic post-adsorption analysis and targets zeolite hydroxyl/siloxane groups as active sites for insecticide adsorption via hydrogen bonding. Neat, well-defined zeolite structures enable their prospective application in ecotoxic species removal. This journal is © The Royal Society of Chemistry.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Pagnacco2022c,

title = {Spontaneous Symmetry Breaking: The Case of Crazy Clock and Beyond},

author = {M. C. Pagnacco and J. P. Maksimović and M. Daković and B. Bokic and S. R. Mouchet and T. Verbiest and Y. Caudano and B. Kolaric},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125323605&doi=10.3390%2fsym14020413&partnerID=40&md5=d762fe5b802c2a6db122d689491b7164},

doi = {10.3390/sym14020413},

year  = {2022},

date = {2022-01-01},

journal = {Symmetry},

volume = {14},

number = {2},

abstract = {In this work, we describe the crazy-clock phenomenon involving the state I (low iodide and iodine concentration) to state II (high iodide and iodine concentration with new iodine phase) transition after a Briggs–Rauscher (BR) oscillatory process. While the BR crazy-clock phenomenon is known, this is the first time that crazy-clock behavior is linked and explained with the symmetry-breaking phenomenon, highlighting the entire process in a novel way. The presented phenomenon has been thoroughly investigated by running more than 60 experiments, and evaluated by using statistical cluster K-means analysis. The mixing rate, as well as the magnetic bar shape and dimensions, have a strong influence on the transition appearance. Although the transition for both mixing and no-mixing conditions are taking place completely randomly, by using statistical cluster analysis we obtain different numbers of clusters (showing the time-domains where the transition is more likely to occur). In the case of stirring, clusters are more compact and separated, revealed new hidden details regarding the chemical dynamics of nonlinear processes. The significance of the presented results is beyond oscillatory reaction kinetics since the described example belongs to the small class of chemical systems that shows intrinsic randomness in their response and it might be considered as a real example of a classical liquid random number generator. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Rafailović20224352,

title = {New Insights into the Metallization of Graphene-Supported Composite Materials-from 3D Cu-Grown Structures to Free-Standing Electrodeposited Porous Ni Foils},

author = {L. D. Rafailović and A. Z. Jovanović and S. J. Gutić and J. Wehr and C. Rentenberger and T. L. Trišović and I. A. Pašti},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85124163059&doi=10.1021%2facsomega.1c06145&partnerID=40&md5=e258da654fe32becb3e24bedcc4a5d77},

doi = {10.1021/acsomega.1c06145},

year  = {2022},

date = {2022-01-01},

journal = {ACS Omega},

volume = {7},

number = {5},

pages = {4352-4362},

abstract = {The conductivity and the state of the surface of supports are of vital importance for metallization via electrodeposition. In this study, we show that the metallization of a carbon fiber-reinforced polymer (CFRP) can be carried out directly if the intermediate graphene oxide (GO) layer is chemically reduced on the CFRP surface. Notably, this approach utilizing only the chemically reduced GO as a conductive support allows us to obtain insights into the interaction of rGO and the electrodeposited metal. Our study reveals that under the same contact current experimental conditions, the electrodeposition of Cu and Ni on rGO follows significantly different deposition modes, resulting in the formation of three-dimensional (3D) and free-standing metallic foils, respectively. Considering that Ni adsorption energy is larger than Ni cohesive energy, it is expected that the adhesion of Ni on rGO@CFRP is enhanced compared to Cu. In contrast, the adhesion of deposited Ni is reduced, suggesting diffusion of H+ between rGO and CFRP, which promotes the hydrogen evolution reaction (HER) and results in the formation of free-standing Ni foils. We ascribe this phenomenon to the unique properties of rGO and the nature of Cu and Ni deposition from electrolytic baths. In the latter, the high adsorption energy of Ni on defective rGO along with HER is the key factor for the formation of the porous layer and free-standing foils. © 2022 The Authors. Published by American Chemical Society.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Pavković20223958,

title = {Proton leap: Shuttling of protons onto benzonitrile},

author = {N. Pavković and B. Milovanović and A. Stanojević and M. Etinski and M. Petković},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85124443029&doi=10.1039%2fd1cp04338b&partnerID=40&md5=ccaf6e2e750c2dbb7a4961b04362706c},

doi = {10.1039/d1cp04338b},

year  = {2022},

date = {2022-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {24},

number = {6},

pages = {3958-3969},

abstract = {The detailed description of chemical transformations in the interstellar medium allows deciphering the origin of a number of small and medium-sized organic molecules. We present density functional theory analysis of proton transfer from the trihydrogen cation and the ethenium cation to benzonitrile, a recently discovered species in the Taurus Molecular Cloud 1. Detailed energy transformations along the reaction paths were analyzed using the interacting quantum atoms methodology, which elucidated how the proton carrier influences the lightness to deliver the proton to benzonitrile's nitrogen atom. The proton carriers' deformation energy represents the largest destabilizing effect, whereas a proton's promotion energy, the benzonitrile-proton Coulomb attraction, as well as non-classical benzonitrile-proton and carrier-proton interaction are the dominant stabilizing energy components. As two ion-molecule reactions proceed without energy barriers, rate constants were estimated using the classical capture theory and were found to be an order of magnitude larger for the reaction with the trihydrogen cation compared to that with the ethenium cation (∼10-8 and 10-9 cm3 s-1, respectively). These results were obtained both with quantum chemical and ab initio molecular dynamics simulations (the latter performed at 10 K and 100 K), confirming that up to 100 K both systems choose energetically undemanding routes by tracking the corresponding minimum energy paths. A concept of a turning point is introduced, which is an equivalent to the transition state in barrierless reactions. © the Owner Societies.},

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{Vasić20223543,

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  = {2022},

date = {2022-01-01},

journal = {Journal of Thermal Analysis and Calorimetry},

volume = {147},

number = {5},

pages = {3543-3551},

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{Jocić2022,

title = {Viscose-Derived Activated Carbons Fibers as Highly Efficient Adsorbents for Dimethoate Removal from Water},

author = {A. Jocić and S. Breitenbach and D. Bajuk-Bogdanović and I. A. Pašti and C. Unterweger and C. Fürst and T. Lazarević-Pašti},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125167382&doi=10.3390%2fmolecules27051477&partnerID=40&md5=81105c00a2f00ad4b8b97a5e89092b08},

doi = {10.3390/molecules27051477},

year  = {2022},

date = {2022-01-01},

journal = {Molecules},

volume = {27},

number = {5},

abstract = {Extensive use of pesticides resulting in their accumulation in the environment presents a hazard for their non-target species, including humans. Hence, efficient remediation strategies are needed, and, in this sense, adsorption is seen as the most straightforward approach. We have studied activated carbon fibers (ACFs) derived from viscose fibers impregnated with diammonium hydrogen phosphate (DAHP). By changing the amount of DAHP in the impregnation step, the chemical composition and textural properties of ACFs are effectively tuned, affecting their performance for dimethoate removal from water. The prepared ACFs effectively reduced the toxicity of treated water samples, both deionized water solutions and spiked tap water samples, under batch conditions and in dynamic filtration experiments. Using the results of physicochemical characterization and dimethoate adsorption measurements, multiple linear regression models were made to reliably predict performance towards dimethoate removal from water. These models can be used to quickly screen among larger sets of possible adsorbents and guide the development of novel, highly efficient adsorbents for dimethoate removal from water. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gledović202229,

title = {Low energy nanoemulsions as carriers for essential oils in topical formulations for antioxidant skin protection [Niskoenergetske nanoemulzije kao nosači za etarska ulja u topikalnim formulacijama za antioksidantnu zaštitu kože]},

author = {A. Gledović and D. Bajuk-Bogdanović and S. Uskoković-Marković and L. Pavun and S. Savić and A. J. Lezaić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85140468529&doi=10.2298%2fHEMIND210509004G&partnerID=40&md5=f748c31a3474ac9c5e1dd15150bc087e},

doi = {10.2298/HEMIND210509004G},

year  = {2022},

date = {2022-01-01},

journal = {Hemijska Industrija},

volume = {76},

number = {1},

pages = {29-42},

abstract = {In this study several essential oils (EOs): basil – BA, lemon balm – LB and oregano – OR were incorporated into nanoemulsions (NEs) as prospective carriers for natural and sensitive bioactives. NEs were prepared via the phase inversion composition (PIC) method, which is an energy-efficient cold process. Physicochemical stability of NEs was confirmed by particle size distribution analysis, electrical conductivity and pH value measurements, as well as by optical microscopy observations. The type of EO and the surfactant and oil mix concentration were found to be crucial factors governing the NE properties and stability. Raman spectra of the EOs confirmed main active ingredients and provided detection of interactions with the nanocarrier, which is a novel application of this technique. The antioxidant activity towards DPPH radical in methanol was concentration-dependent with a similar trend for individual oils and oil-loaded NEs (OR> LB> BA). However, the ABTS test in an aqueous medium revealed notable change in the order of activity after EO nanonisation at higher EO concentrations. Overall, it was found that OR-NE was the most effective and stable system, since OR acted as a co-stabiliser in the NE formulation, and its remarkably high antioxidant activity was successfully preserved during 6 months of storage. © 2022, Association of the Chemical Engineers of Serbia. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{JanoševićLežaić2022b,

title = {What role does carbonized tannic acid play in energy storage composites?},

author = {A. Janošević Ležaić and D. Bajuk-Bogdanović and J. Krstić and Z. Jovanović and Ž. Mravik and J. Kovač and N. Gavrilov},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85126289990&doi=10.1016%2fj.fuel.2021.122930&partnerID=40&md5=0aa17e7cdfa8f3830ad69a8567120ce4},

doi = {10.1016/j.fuel.2021.122930},

year  = {2022},

date = {2022-01-01},

journal = {Fuel},

volume = {312},

abstract = {Transformation of tannic acid (TA), a cheap, abundant and environmentally friendly (by)product, upon carbonization at various temperatures was examined as it is extensively being used in energy storing devices. In addition of reviling what is happening with TA upon carbonization, a step further has been taken to scrutinize the role of carbonized TA (CTA) playing in energy storage composites. Increasing the carbonization temperature from 500 °C to 800 °C led to a nine orders of magnitude increase in conductivity, from 9·10–9 S cm−1 to 6 S cm−1, respectively. Concurrently, transformation from largely mesoporous and low surface area (≈10 m2 g−1, at 500 °C) to dominantly microporous materials with respectable surface area (≈292 m2 g−1, at 800 °C) is evidenced, while surface oxygen content dropped from 18.2 to 3.5 at.% in the same temperature range. Capacitance values are determined to see how it might contribute to the overall capacitance of composites. It was found that capacitance is greatly affected by these transformations and range from 18 F g−1 to 38 F g−1 when in pristine carbonized condition, to 75 F g−1 when mixed with conducting Vulcan XC72. Decoupling electric double layer and diffusion limited capacitance (Cdiff) indicated that later is predominant and can be associated with transformations of various surface oxygen groups with linear relationship found between Cdiff and surface area occupied by oxygen per gram of sample. Presented results suggest that carbonized TA can contribute significantly to capacitance and conductivity as a part of a composite electrode in energy storing devices and its contribution to overall capacitance cannot be neglected. Alternatively, carbonized TA, pristine or activated, can be viewed as a cheap and abundant material for green supercapacitors. © 2021 Elsevier Ltd},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bondzic20223312,

title = {Synergistic Effect of Sorption and Hydrolysis by NU-1000 Nanostructures for Removal and Detoxification of Chlorpyrifos},

author = {A. M. Bondzic and T. D. Lazarevic Pasti and I. A. Pasti and B. P. Bondzic and M. D. Momcilovic and A. Loosen and T. N. Parac-Vogt},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85126108627&doi=10.1021%2facsanm.1c03863&partnerID=40&md5=f5361de8aab1a5704f0bf6fef184c468},

doi = {10.1021/acsanm.1c03863},

year  = {2022},

date = {2022-01-01},

journal = {ACS Applied Nano Materials},

volume = {5},

number = {3},

pages = {3312-3324},

abstract = {Organophosphate-based pesticides have remarkably contributed to the agriculture industry, but their toxicity has a large negative impact on the environment as well as on the health of humans and other living organisms. Most of the methods developed to remedy the organophosphate pesticide toxicity are very time-consuming and are based on their adsorption onto different materials and/or their degradation to nontoxic species. In this study, detoxification of three structurally different organophosphate pesticides was investigated using an NU-1000 metal-organic framework. We showed that NU-1000 is an excellent agent for fast (average time ≤ 3 min) and effective removal of organophosphate pesticides with an aromatic heterocyclic moiety. In particular, superior detoxification of chlorpyrifos solution after NU-1000 treatment was achieved after only 1 min. The combination of experimental and computational methods revealed that the synergic effects of sorption and hydrolysis are responsible for the superior removal of CHP by NU-1000. The sorption process occurs on the Zr node (chemisorption) and pyrene linkers (physisorption) following pseudo-first-order kinetics during the first minute, and a pseudo-second-order model fits the entire time range. The multilayer adsorption of chlorpyrifos or its hydrolyzed product, 3,5,6-trichloro-2-pyridinol, takes place on a pyrene linker, whereas the aliphatic part of the molecule remains chemisorbed on the Zr node. Such unique synergy between induced sorption and hydrolysis of chlorpyrifos by NU-1000 results in its fast and effective removal with rapid detoxification in non-buffered solutions. © 2022 American Chemical Society. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lipovka2022,

title = {Surface-Enhanced Raman Spectroscopy and Electrochemistry: The Ultimate Chemical Sensing and Manipulation Combination},

author = {A. Lipovka and M. Fatkullin and A. Averkiev and M. Pavlova and A. Adiraju and S. Weheabby and A. Al-Hamry and O. Kanoun and I. Pašti and T. Lazarevic-Pasti and R. D. Rodriguez and E. Sheremet},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85129331447&doi=10.1080%2f10408347.2022.2063683&partnerID=40&md5=cada5aaf671ed72c3f49a23064f42734},

doi = {10.1080/10408347.2022.2063683},

year  = {2022},

date = {2022-01-01},

journal = {Critical Reviews in Analytical Chemistry},

abstract = {One of the lessons we learned from the COVID-19 pandemic is that the need for ultrasensitive detection systems is now more critical than ever. While sensors’ sensitivity, portability, selectivity, and low cost are crucial, new ways to couple synergistic methods enable the highest performance levels. This review article critically discusses the synergetic combinations of optical and electrochemical methods. We also discuss three key application fields—energy, biomedicine, and environment. Finally, we selected the most promising approaches and examples, the open challenges in sensing, and ways to overcome them. We expect this work to set a clear reference for developing and understanding strategies, pros and cons of different combinations of electrochemical and optical sensors integrated into a single device. © 2022 Taylor & Francis Group, LLC.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Stojanović2022,

title = {Photocatalytic performance of TiO2/zeolites under simulated solar light for removal of atenolol from aqueous solution},

author = {S. Stojanović and M. Vranješ and Z. Šaponjić and V. Rac and V. Rakić and L. Ignjatović and L. Damjanović-Vasilić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85132545526&doi=10.1007%2fs13762-022-04305-6&partnerID=40&md5=f08bb2e38e8f01dc4175cf2efc0447a6},

doi = {10.1007/s13762-022-04305-6},

year  = {2022},

date = {2022-01-01},

journal = {International Journal of Environmental Science and Technology},

abstract = {Removal of the β-blocker atenolol from an aqueous solution was studied using TiO2/zeolites, prepared by a simple and cost-effective solid-state dispersion method. Synthetic zeolites 13X and ZSM-5 (Si/Al = 40) and natural zeolite clinoptilolite were used as one component of the hybrid materials, whereas TiO2 nanocrystals obtained from TiO2 nanotubes and P25 TiO2 nanoparticles were used as the other. The synthesized materials were characterized by X-ray powder diffraction, transmission electron microscopy, Fourier transformed infrared spectroscopy, ultraviolet–visible diffuse reflectance spectroscopy and scanning electron microscopy with energy-dispersive spectroscopy. The photocatalytic activity for the degradation of atenolol was investigated under simulated solar light. Additionally, the effect of initial pH on atenolol removal and the reusability of prepared catalysts were tested. The best loading of TiO2 was 20 wt% over all investigated zeolites. The degradation of atenolol followed the pseudo-first-order kinetics. The photocatalytic degradation of atenolol after 70 min of irradiation was ~ 50% for TiO2/13X materials, ~ 45% for clinoptilolite combined with P25 TiO2 and ~ 57% for clinoptilolite combined with TiO2 nanocrystals obtained from TiO2 nanotubes. The results showed the highest removal efficiency after 70 min of irradiation for ZSM-5 combined with P25 TiO2 (~ 94%), followed by ZSM-5 combined with TiO2 nanocrystals obtained from TiO2 nanotubes (~ 88%) at near-neutral pH (~ 6.5). The total removal of atenolol from an aqueous solution for TiO2/ZSM-5 materials resulted from two processes: adsorption and photocatalytic degradation. The TiO2/ZSM-5 photocatalysts can be easily recovered and reused as their activity was preserved after four cycles. © 2022, The Author(s) under exclusive licence to Iranian Society of Environmentalists (IRSEN) and Science and Research Branch, Islamic Azad University.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Božović20221035,

title = {Oxide coatings with immobilized Ce-ZSM5 as visible light photocatalysts [ФОТОКАТАЛИТИЧКИ ОКСИДНИ СЛОЈЕВИ СА ИМОБИЛИСАНИМ CE-ZSM5 ЗЕОЛИТОМ]},

author = {N. Božović and K. Mojsilović and S. Stojanović and L. Damjanović-Vasilić and M. Serdechnova and C. Blawert and M. L. Zheludkevich and S. Stojadinović and R. Vasilić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139820777&doi=10.2298%2fJSC211203058B&partnerID=40&md5=9d0cac3ed969c308bab41ee520bc38a1},

doi = {10.2298/JSC211203058B},

year  = {2022},

date = {2022-01-01},

journal = {Journal of the Serbian Chemical Society},

volume = {87},

number = {9},

pages = {1035-1048},

abstract = {The preparation and properties of oxide coatings with immobilized ZSM-5 zeolite obtained by plasma electrolytic oxidation on aluminum support were investigated and discussed. Pure and Ce-exchanged ZSM-5 were immobilized on aluminum supports from a silicate-based electrolyte under ultra-low duty cycle pulsed direct current conditions. The obtained composite coatings were characterized with respect to their morphology, phase and chemical composition, as well as photocatalytic activity and anti-corrosion properties. All mentioned properties of the obtained coatings were dependent on the processing time. The coatings with Ce-exchanged ZSM-5 showed higher photocatalytic activity and more effective corrosion protection than those with pure ZSM-5. The highest photocatalytic activity was observed for coatings processed for 30 min. It is suggested that the surface morphology, Ce-content and number of defects influenced the photocatalytic activity of the composite coatings. © 2022 Serbian Chemical Society. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Jović-Jovičić202241,

title = {Electrochemical properties of carbonized bentonite [ЕЛЕКТРОХЕМИЈСКА СВОЈСТВА КАРБОНИЗОВАНИХ БЕНТОНИТА]},

author = {N. P. Jović-Jovičić and D. V. Bajuk Bogdanović and T. B. Novaković and P. T. Banković and A. D. Milutinović-Nikolić and Z. D. Mojović},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85147160737&doi=10.2298%2fJSC220127030J&partnerID=40&md5=5f8678d200389da3326fec699ef03749},

doi = {10.2298/JSC220127030J},

year  = {2022},

date = {2022-01-01},

journal = {Journal of the Serbian Chemical Society},

volume = {88},

number = {1},

pages = {41-54},

abstract = {Organomodified bentonites were obtained by modification of bentonite clay from local mine Bogovina, with four different alkylammonium ions in the amounts that correspond to cation exchange capacity. Carbonized bentonites, obtained by pyrolyzing the organomodified bentonites in the flow of nitrogen, were characterized using XRD, low-temperature N2 physisorption and Raman spectroscopy. Structural and textural properties of carbonized bentonites depended on the arrangement of alkylammonium cations in the paternal organomodified bentonite, while the Raman spectroscopy confirmed the presence of amorphous carbon. The obtained carbonized bentonites were used for modification of the carbon paste electrode. The modified electrodes were investigated using cyclic voltammetry and electrochemical impedance spectroscopy. The electrosorption of chloride and sulfate anions on carbonized bentonites was studied by chronocoulometry. The results were interpreted in the terms of surface groups and textural properties of the carbonized bentonites. © 2022 Serbian Chemical Society. All rights reserved.},

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{Čupić20223,

title = {Oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene. Improved model of reaction mechanism},

author = {Ž. Čupić and S. Maćešić and S. Anić and L. Kolar-Anić and A. Ivanović-Šašić and K. Novakovic},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122670786&doi=10.1007%2fs11144-021-02148-9&partnerID=40&md5=bcaa10c0f8d1471eb484e18694c07a87},

doi = {10.1007/s11144-021-02148-9},

year  = {2022},

date = {2022-01-01},

journal = {Reaction Kinetics, Mechanisms and Catalysis},

volume = {135},

number = {1},

pages = {3-14},

abstract = {The study presents a mathematical model of Bruk Temkin-Gorodsky Novakovic (BT-GN) reaction system employing palladium-catalyzed oscillatory carbonylation reaction of mono alkyne-terminated poly(ethylene glycol) methyl ether. The proposed model advances simulation capabilities of this particular chemical oscillator but also BT-GN reactions in general. The model was verified using experimental data where good agreement is achieved and existence of complex pH oscillations like burst oscillations was matched. Furthermore, the model was used to predict reaction conditions capable of producing further complexities and initial conditions that would lead to desired period of pH oscillations. Having such a powerful tool, enhances our capabilities to study and further develop BT-GN oscillators with a reduced experimental effort. © 2022, Akadémiai Kiadó, Budapest, Hungary.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Milojević-Rakić2022265,

title = {MFI, BEA and FAU zeolite scavenging role in neonicotinoids and radical species elimination},

author = {M. Milojević-Rakić and D. Popadić and A. Janošević Ležaić and A. Jevremović and B. Nedić Vasiljević and S. Uskoković-Marković and D. Bajuk-Bogdanović},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125211909&doi=10.1039%2fd1em00437a&partnerID=40&md5=3b7d2c4f66a95446b63e39a86839c5c1},

doi = {10.1039/d1em00437a},

year  = {2022},

date = {2022-01-01},

journal = {Environmental Science: Processes and Impacts},

volume = {24},

number = {2},

pages = {265-276},

abstract = {Ecotoxicity caused by neonicotinoid pesticides is largely due to oxidative stress on non-target species. Due to the fact that reactive radical species reach the environment, materials intended for pesticide removal should be applicable for the simultaneous removal of reactive radicals, as well. This work uses the spectroscopic, adsorptive and antioxidant responses from MFI, FAU and BEA zeolites as descriptors of their potential environmental importance. Different network structures and Si/Al ratios were correlated with excellent zeolite adsorption properties, as over 200 mg g-1 of investigated neonicotinoids, acetamiprid and imidacloprid, was achieved in one cycle. Additionally, after two regeneration steps, over 450 mg g-1 adsorbed pesticides were retained, in three adsorption cycles. Overall the best results were detected for the FAU zeotype in both tested applications, insecticide adsorption and radical-scavenging performance, with and without insecticides present. The proposed mechanism for adsorption relies on kinetic investigation, isotherm modelling and spectroscopic post-adsorption analysis and targets zeolite hydroxyl/siloxane groups as active sites for insecticide adsorption via hydrogen bonding. Neat, well-defined zeolite structures enable their prospective application in ecotoxic species removal. This journal is © The Royal Society of Chemistry.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Pagnacco2022c,

title = {Spontaneous Symmetry Breaking: The Case of Crazy Clock and Beyond},

author = {M. C. Pagnacco and J. P. Maksimović and M. Daković and B. Bokic and S. R. Mouchet and T. Verbiest and Y. Caudano and B. Kolaric},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125323605&doi=10.3390%2fsym14020413&partnerID=40&md5=d762fe5b802c2a6db122d689491b7164},

doi = {10.3390/sym14020413},

year  = {2022},

date = {2022-01-01},

journal = {Symmetry},

volume = {14},

number = {2},

abstract = {In this work, we describe the crazy-clock phenomenon involving the state I (low iodide and iodine concentration) to state II (high iodide and iodine concentration with new iodine phase) transition after a Briggs–Rauscher (BR) oscillatory process. While the BR crazy-clock phenomenon is known, this is the first time that crazy-clock behavior is linked and explained with the symmetry-breaking phenomenon, highlighting the entire process in a novel way. The presented phenomenon has been thoroughly investigated by running more than 60 experiments, and evaluated by using statistical cluster K-means analysis. The mixing rate, as well as the magnetic bar shape and dimensions, have a strong influence on the transition appearance. Although the transition for both mixing and no-mixing conditions are taking place completely randomly, by using statistical cluster analysis we obtain different numbers of clusters (showing the time-domains where the transition is more likely to occur). In the case of stirring, clusters are more compact and separated, revealed new hidden details regarding the chemical dynamics of nonlinear processes. The significance of the presented results is beyond oscillatory reaction kinetics since the described example belongs to the small class of chemical systems that shows intrinsic randomness in their response and it might be considered as a real example of a classical liquid random number generator. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Rafailović20224352,

title = {New Insights into the Metallization of Graphene-Supported Composite Materials-from 3D Cu-Grown Structures to Free-Standing Electrodeposited Porous Ni Foils},

author = {L. D. Rafailović and A. Z. Jovanović and S. J. Gutić and J. Wehr and C. Rentenberger and T. L. Trišović and I. A. Pašti},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85124163059&doi=10.1021%2facsomega.1c06145&partnerID=40&md5=e258da654fe32becb3e24bedcc4a5d77},

doi = {10.1021/acsomega.1c06145},

year  = {2022},

date = {2022-01-01},

journal = {ACS Omega},

volume = {7},

number = {5},

pages = {4352-4362},

abstract = {The conductivity and the state of the surface of supports are of vital importance for metallization via electrodeposition. In this study, we show that the metallization of a carbon fiber-reinforced polymer (CFRP) can be carried out directly if the intermediate graphene oxide (GO) layer is chemically reduced on the CFRP surface. Notably, this approach utilizing only the chemically reduced GO as a conductive support allows us to obtain insights into the interaction of rGO and the electrodeposited metal. Our study reveals that under the same contact current experimental conditions, the electrodeposition of Cu and Ni on rGO follows significantly different deposition modes, resulting in the formation of three-dimensional (3D) and free-standing metallic foils, respectively. Considering that Ni adsorption energy is larger than Ni cohesive energy, it is expected that the adhesion of Ni on rGO@CFRP is enhanced compared to Cu. In contrast, the adhesion of deposited Ni is reduced, suggesting diffusion of H+ between rGO and CFRP, which promotes the hydrogen evolution reaction (HER) and results in the formation of free-standing Ni foils. We ascribe this phenomenon to the unique properties of rGO and the nature of Cu and Ni deposition from electrolytic baths. In the latter, the high adsorption energy of Ni on defective rGO along with HER is the key factor for the formation of the porous layer and free-standing foils. © 2022 The Authors. Published by American Chemical Society.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Pavković20223958,

title = {Proton leap: Shuttling of protons onto benzonitrile},

author = {N. Pavković and B. Milovanović and A. Stanojević and M. Etinski and M. Petković},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85124443029&doi=10.1039%2fd1cp04338b&partnerID=40&md5=ccaf6e2e750c2dbb7a4961b04362706c},

doi = {10.1039/d1cp04338b},

year  = {2022},

date = {2022-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {24},

number = {6},

pages = {3958-3969},

abstract = {The detailed description of chemical transformations in the interstellar medium allows deciphering the origin of a number of small and medium-sized organic molecules. We present density functional theory analysis of proton transfer from the trihydrogen cation and the ethenium cation to benzonitrile, a recently discovered species in the Taurus Molecular Cloud 1. Detailed energy transformations along the reaction paths were analyzed using the interacting quantum atoms methodology, which elucidated how the proton carrier influences the lightness to deliver the proton to benzonitrile's nitrogen atom. The proton carriers' deformation energy represents the largest destabilizing effect, whereas a proton's promotion energy, the benzonitrile-proton Coulomb attraction, as well as non-classical benzonitrile-proton and carrier-proton interaction are the dominant stabilizing energy components. As two ion-molecule reactions proceed without energy barriers, rate constants were estimated using the classical capture theory and were found to be an order of magnitude larger for the reaction with the trihydrogen cation compared to that with the ethenium cation (∼10-8 and 10-9 cm3 s-1, respectively). These results were obtained both with quantum chemical and ab initio molecular dynamics simulations (the latter performed at 10 K and 100 K), confirming that up to 100 K both systems choose energetically undemanding routes by tracking the corresponding minimum energy paths. A concept of a turning point is introduced, which is an equivalent to the transition state in barrierless reactions. © the Owner Societies.},

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{Vasić20223543,

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  = {2022},

date = {2022-01-01},

journal = {Journal of Thermal Analysis and Calorimetry},

volume = {147},

number = {5},

pages = {3543-3551},

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{Jocić2022,

title = {Viscose-Derived Activated Carbons Fibers as Highly Efficient Adsorbents for Dimethoate Removal from Water},

author = {A. Jocić and S. Breitenbach and D. Bajuk-Bogdanović and I. A. Pašti and C. Unterweger and C. Fürst and T. Lazarević-Pašti},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125167382&doi=10.3390%2fmolecules27051477&partnerID=40&md5=81105c00a2f00ad4b8b97a5e89092b08},

doi = {10.3390/molecules27051477},

year  = {2022},

date = {2022-01-01},

journal = {Molecules},

volume = {27},

number = {5},

abstract = {Extensive use of pesticides resulting in their accumulation in the environment presents a hazard for their non-target species, including humans. Hence, efficient remediation strategies are needed, and, in this sense, adsorption is seen as the most straightforward approach. We have studied activated carbon fibers (ACFs) derived from viscose fibers impregnated with diammonium hydrogen phosphate (DAHP). By changing the amount of DAHP in the impregnation step, the chemical composition and textural properties of ACFs are effectively tuned, affecting their performance for dimethoate removal from water. The prepared ACFs effectively reduced the toxicity of treated water samples, both deionized water solutions and spiked tap water samples, under batch conditions and in dynamic filtration experiments. Using the results of physicochemical characterization and dimethoate adsorption measurements, multiple linear regression models were made to reliably predict performance towards dimethoate removal from water. These models can be used to quickly screen among larger sets of possible adsorbents and guide the development of novel, highly efficient adsorbents for dimethoate removal from water. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gledović202229,

title = {Low energy nanoemulsions as carriers for essential oils in topical formulations for antioxidant skin protection [Niskoenergetske nanoemulzije kao nosači za etarska ulja u topikalnim formulacijama za antioksidantnu zaštitu kože]},

author = {A. Gledović and D. Bajuk-Bogdanović and S. Uskoković-Marković and L. Pavun and S. Savić and A. J. Lezaić},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85140468529&doi=10.2298%2fHEMIND210509004G&partnerID=40&md5=f748c31a3474ac9c5e1dd15150bc087e},

doi = {10.2298/HEMIND210509004G},

year  = {2022},

date = {2022-01-01},

journal = {Hemijska Industrija},

volume = {76},

number = {1},

pages = {29-42},

abstract = {In this study several essential oils (EOs): basil – BA, lemon balm – LB and oregano – OR were incorporated into nanoemulsions (NEs) as prospective carriers for natural and sensitive bioactives. NEs were prepared via the phase inversion composition (PIC) method, which is an energy-efficient cold process. Physicochemical stability of NEs was confirmed by particle size distribution analysis, electrical conductivity and pH value measurements, as well as by optical microscopy observations. The type of EO and the surfactant and oil mix concentration were found to be crucial factors governing the NE properties and stability. Raman spectra of the EOs confirmed main active ingredients and provided detection of interactions with the nanocarrier, which is a novel application of this technique. The antioxidant activity towards DPPH radical in methanol was concentration-dependent with a similar trend for individual oils and oil-loaded NEs (OR> LB> BA). However, the ABTS test in an aqueous medium revealed notable change in the order of activity after EO nanonisation at higher EO concentrations. Overall, it was found that OR-NE was the most effective and stable system, since OR acted as a co-stabiliser in the NE formulation, and its remarkably high antioxidant activity was successfully preserved during 6 months of storage. © 2022, Association of the Chemical Engineers of Serbia. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{JanoševićLežaić2022b,

title = {What role does carbonized tannic acid play in energy storage composites?},

author = {A. Janošević Ležaić and D. Bajuk-Bogdanović and J. Krstić and Z. Jovanović and Ž. Mravik and J. Kovač and N. Gavrilov},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85126289990&doi=10.1016%2fj.fuel.2021.122930&partnerID=40&md5=0aa17e7cdfa8f3830ad69a8567120ce4},

doi = {10.1016/j.fuel.2021.122930},

year  = {2022},

date = {2022-01-01},

journal = {Fuel},

volume = {312},

abstract = {Transformation of tannic acid (TA), a cheap, abundant and environmentally friendly (by)product, upon carbonization at various temperatures was examined as it is extensively being used in energy storing devices. In addition of reviling what is happening with TA upon carbonization, a step further has been taken to scrutinize the role of carbonized TA (CTA) playing in energy storage composites. Increasing the carbonization temperature from 500 °C to 800 °C led to a nine orders of magnitude increase in conductivity, from 9·10–9 S cm−1 to 6 S cm−1, respectively. Concurrently, transformation from largely mesoporous and low surface area (≈10 m2 g−1, at 500 °C) to dominantly microporous materials with respectable surface area (≈292 m2 g−1, at 800 °C) is evidenced, while surface oxygen content dropped from 18.2 to 3.5 at.% in the same temperature range. Capacitance values are determined to see how it might contribute to the overall capacitance of composites. It was found that capacitance is greatly affected by these transformations and range from 18 F g−1 to 38 F g−1 when in pristine carbonized condition, to 75 F g−1 when mixed with conducting Vulcan XC72. Decoupling electric double layer and diffusion limited capacitance (Cdiff) indicated that later is predominant and can be associated with transformations of various surface oxygen groups with linear relationship found between Cdiff and surface area occupied by oxygen per gram of sample. Presented results suggest that carbonized TA can contribute significantly to capacitance and conductivity as a part of a composite electrode in energy storing devices and its contribution to overall capacitance cannot be neglected. Alternatively, carbonized TA, pristine or activated, can be viewed as a cheap and abundant material for green supercapacitors. © 2021 Elsevier Ltd},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bondzic20223312,

title = {Synergistic Effect of Sorption and Hydrolysis by NU-1000 Nanostructures for Removal and Detoxification of Chlorpyrifos},

author = {A. M. Bondzic and T. D. Lazarevic Pasti and I. A. Pasti and B. P. Bondzic and M. D. Momcilovic and A. Loosen and T. N. Parac-Vogt},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85126108627&doi=10.1021%2facsanm.1c03863&partnerID=40&md5=f5361de8aab1a5704f0bf6fef184c468},

doi = {10.1021/acsanm.1c03863},

year  = {2022},

date = {2022-01-01},

journal = {ACS Applied Nano Materials},

volume = {5},

number = {3},

pages = {3312-3324},

abstract = {Organophosphate-based pesticides have remarkably contributed to the agriculture industry, but their toxicity has a large negative impact on the environment as well as on the health of humans and other living organisms. Most of the methods developed to remedy the organophosphate pesticide toxicity are very time-consuming and are based on their adsorption onto different materials and/or their degradation to nontoxic species. In this study, detoxification of three structurally different organophosphate pesticides was investigated using an NU-1000 metal-organic framework. We showed that NU-1000 is an excellent agent for fast (average time ≤ 3 min) and effective removal of organophosphate pesticides with an aromatic heterocyclic moiety. In particular, superior detoxification of chlorpyrifos solution after NU-1000 treatment was achieved after only 1 min. The combination of experimental and computational methods revealed that the synergic effects of sorption and hydrolysis are responsible for the superior removal of CHP by NU-1000. The sorption process occurs on the Zr node (chemisorption) and pyrene linkers (physisorption) following pseudo-first-order kinetics during the first minute, and a pseudo-second-order model fits the entire time range. The multilayer adsorption of chlorpyrifos or its hydrolyzed product, 3,5,6-trichloro-2-pyridinol, takes place on a pyrene linker, whereas the aliphatic part of the molecule remains chemisorbed on the Zr node. Such unique synergy between induced sorption and hydrolysis of chlorpyrifos by NU-1000 results in its fast and effective removal with rapid detoxification in non-buffered solutions. © 2022 American Chemical Society. All rights reserved.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}