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Search results for: RADICAL REACTIONS
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AlF4 superhalogen as the trigger-compound initiating the radical-substitution reactions
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Advanced oxidation processes (AOPs) based wastewater treatment - unexpected nitration side reactions - a serious environmental issue: A review
PublicationChemical compounds containing nitro group (nitro-products) are a one of toxic by-products, that can be formed during wastewater treatment processes. In case of presence of nitrite or nitrate ions, the formation of nitro-products during advanced oxidation processes (AOPs) is very common. It is caused by the reactive nitrogen species (RNs) such as nitrate radical (NO3•), nitrite radical (NO2•), nitrogen oxide radical (NO•) and peroxynirite...
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5-Thiocyanato-2′-deoxyuridine as a possible radiosensitizer: electron-induced formation of uracil-C5-thiyl radical and its dimerization
PublicationIn this work, we have synthesized 5-thiocyanato-2′-deoxyuridine (SCNdU) along with the C6-deuterated nucleobase 5-thiocyanatouracil (6-D-SCNU) and studied their reactions with radiation-produced electrons. ESR spectra in γ-irradiated nitrogen-saturated frozen homogeneous solutions (7.5 M LiCl in H2O or D2O) of these compounds show that electron-induced S–CN bond cleavage occurs to form a thiyl radical (dU-5-S˙ or 6-D-U-5-S˙) and...
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Dissociative electron attachment to the radiosensitizing chemotherapeutic agent hydroxyurea
PublicationDissociative electron attachment to hydroxyurea was studied in the gas phase for electron energies ranging from zero to 9 eV in order to probe its radiosensitizing capabilities. The experiments were carried out using a hemispherical electron monochromator coupled with a quadrupole mass spectrometer. Diversified fragmentation of hydroxyurea was observed upon low energy electron attachment and here we highlight the major dissociation...
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Singlet oxygen-dominated peroxymonosulfate activation by layered crednerite for organic pollutants degradation in high salinity wastewater
PublicationAdvanced oxidation processes have been widely studied for organic pollutants treatment in water, but the degradation performance of radical-dominated pathway was severely inhibited by the side reactions between the anions and radicals, especially in high salinity conditions. Here, a singlet oxygen (1O2)-dominated non-radical process was developed for organic pollutants degradation in high salinity wastewater, with layered crednerite...
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublicationThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublicationThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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Environmental fate of BTEX compounds in ambient air
PublicationAs a result of the industrialization and urbanization in the world, human pressure on the environment is intensifying, leading to detrimental changes in both biotic and abiotic compartments. One of the many consequences of this state of affairs is the increasing rate of emission into the atmosphere of volatile organic compounds, including the so-called BTEX (benzene, ethylbenzene, toluene, xylenes) compounds. The article reviews...
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The Fate of BTEX Compounds in Ambient Air
PublicationAs a result of the industrialization and urbanization in the world, human pressure on the environment is intensifying, leading to detrimental changes in both biotic and abiotic compartments. One of the many consequences of this state of affairs is the increasing rate of emission into the atmosphere of volatile organic compounds, including the so-called BTEX (benzene, ethylbenzene, toluene, xylenes) compounds. The authors review...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublicationMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Cavitation-Based Processes for Water and Wastewater Treatment
PublicationCavitation based on advanced oxidation processes (Cav-AOPs) is interesting alternatives for already implemented wastewater treatment technologies. Destructive and strongly undesirable phenomena in the industry, i.e., cavitation, revealed to be useful in a positive manner as a source of energy for chemical reactions. During the implosion of cavitation bubbles, focused energy and resulting high temperature and pressure allows to...
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublicationWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Controlled grafting of vinylic monomers on polyolefins: a robust mathematical modeling approach
PublicationExperimental and mathematical modeling analyses were used for controlling melt free-radical grafting of vinylic monomers on polyolefins and, thereby, reducing the disturbance of undesired cross-linking of polyolefins. Response surface, desirability function, and artificial intelligence methodologies were blended to modeling/optimization of grafting reaction in terms of vinylic monomer content, peroxide initiator concentration,...
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H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublicationRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
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Synthesis and modification of reduced graphene oxide aerogels for biofuel cell applications
PublicationWe have carried out the preparation of reduced graphene oxide aerogels using eco-friendly method that is based on the Hummers method of graphite oxidation without the use of NaNO3 that produces toxic gases. To obtain a porous 3D structure of reduced graphene oxide, we performed the hydrothermal reduction at elevated temperature. We also prepared the rGO aerogel/CNT composite using multiwalled carbon nanotubes as linkers. The rGO...
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Reclaimed rubber in-situ grafted with soybean oil as a novel green reactive plasticizer in SBR/silica compounds
PublicationPolymer recycling and biodegradable polymeric materials are two major routes towards the sustainable development of polymer materials which contributes to the management of waste. In this regard, an eco-friendly approach is presented wherein high reclaiming degree of ground tire rubber (GTR) was achieved by low-temperature oxidation under swollen action of soybean oil. In-situ reclaimed GTR with soybean oil was cured into reactive...
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Generation and Characterization of a DNA-GCN4 Oligonucleotide-Peptide Conjugate: The Impact DNA/Protein Interactions on the Sensitization of DNA
PublicationRadiotherapy, the most common therapy for the treatment of solid tumors, exerts its effects by inducing DNA damage. To fully understand the extent and nature of this damage, DNA models that mimic the in vivo situation should be utilized. In a cellular context, genomic DNA constantly interacts with proteins and these interactions could influence both the primary radical processes (triggered by ionizing radiation) and secondary reactions,...
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Characterization and Technical Application of Fine Photocatalytical Particles - A Study of the Immobilization of Photocatalysts
PublicationThe main aim of this dissertation was the transfer of photocatalytical laboratory scale experiments to semi-technical scale. Preliminary experiments of the purification of organic chlorine-loaded waters and the immobilization of photocatalysts were performed, which yielded the research back to the roots of synthesis. The first applied research was carried out on treatment of recreational water. Several light sources, particularly...
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Ozone nanobubble technology as a novel AOPs for pollutants degradation under high salinity conditions
PublicationConventional water treatment systems frequently exhibit diminished efficiency at high salinity - a significant issue especially for real industrial effluents - mostly due to the creation of intricate structures between pollutants and salts. One of the primary obstacles associated with high salinity conditions is the generation of by-products that pose additional hurdles for treatment. In this work, we have investigated the novel...
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Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2=CFCl) initiated by OH radicals
PublicationThe atmospheric degradation of chlorotrifluoroethylene (CTFE) by OH˙ was investigated using density functional theory (DFT). The potential energy surfaces were also defined in terms of single-point energies derived from the linked cluster CCSD(T) theory. With an energy barrier of −2.62 to −0.99 kcal mol−1 using the M06-2x method, the negative temperature dependence was determined. The OH˙ attack on Cα and Cβ atoms (labeled pathways...
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Catalysts for advanced oxidation processes: Deep eutectic solvents-assisted synthesis – A review
PublicationNew catalyst synthesis techniques, including green materials, are extensively studied for heterogeneous photocatalytic advanced oxidation processes (AOPs) on spotlight of sustainable development. Deep eutectic solvents (DESs) started to be used in this field as environmentally friendly alternative to ionic liquids (ILs). During the catalyst synthesis, DESs can act as stabilizers, capping agents, structure directing agents, templates,...
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Degradation of Rhodamine dyes by Advanced Oxidation Processes (AOPs) – Focus on cavitation and photocatalysis - A critical review
PublicationThis review evaluates selected advanced oxidation processes (AOPs) - cavitation and photocatalysis - successfully used for wastewater treatment towards degradation of Rhodamine (Rh) dyes. Reactor configuration and impact of process parameters and oxidants addition (hydrogen peroxide, ozone, persulfates) on degradation effectiveness along with degradation mechanisms are discussed. Best technologies provide 100% degradation within...