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Search results for: hydrogen production
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Investigation of volatile low molecular weight compounds formed during continuous reclaiming of ground tire rubber
PublicationGround tire rubber was thermo-mechanically reclaimed at different temperature conditions (80, 120, 160 °C) using a co-rotating twin screw extruder. The progress of ground tire rubber reclaiming was evaluated with specific mechanical energy, sol fraction and thermogravimetric analysis. Volatile organic compounds (VOCs) including volatile sulfur compounds (VCSs) released from ground tire rubber and ground tire rubber after reclaiming...
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The relationship between standard reduction potentials of catechins and biological activities involved in redox control
PublicationRedox homeostasis involves factors that ensure proper function of cells. The excess reactive oxygen species (ROS) leads to oxidative stress and increased risk of oxidative damage to cellular components. In contrast, upon reductive stress, insufficient ROS abundance may result in faulty cell signalling. It may be expected that dietary antioxidants, depending on their standard reduction potentials (E°), will affect both scenarios....
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Thermally tuneable optical and electrochemical properties of Au-Cu nanomosaic formed over the host titanium dimples
PublicationAu-Cu nanostructures offer unique optical and catalytic properties unlike the monometallic ones resulting from the specific interaction. Among others, they have the ability to exhibit surface plasmon resonance, electrochemical activity towards the oxygen and hydrogen evolution reaction (OER, HER) as well as improved photoresponse in relation to monometalic but those properties depend highly on the substrate where bimetallic structures...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Catalytic impact of alloyed Al on the corrosion behavior of Co50Ni23Ga26Al1.0 magnetic shape memory alloy and catalysis applications for efficient electrochemical H2 generation
PublicationThe electrochemical and corrosion behaviour of Co50Ni23Ga27-xAlx (x = 0 and 1.0 wt%) magnetic shape memory alloys (MSMAs) was studied in 0.5 M NaCl solutions using various electrochemical techniques. Results showed remarkable activation of the tested MSMA toward pitting corrosion upon alloying it with Al. XPS examination confirmed the activation influence of alloyed Al. It proved that the presence of Al in the alloy's matrix weakens...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Technological solutions to landfill management: Towards recovery of biomethane and carbon neutrality
PublicationInadequate landfill management poses risks to the environment and human health, necessitating action. Poorly designed and operated landfills release harmful gases, contaminate water, and deplete resources. Aligning landfill management with the Sustainable Development Goals (SDGs) reveals its crucial role in achieving various targets. Urgent transformation of landfill practices is necessary to address challenges like climate change,...
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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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Medium-sized cyclic bis(anisylphosphonothioyl)- disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
PublicationCyclic 8-, 9-, 10-, and 12-membered bis(anisylphosphonothioyl)disulfanes were synthesized. Next, structurally related 7 to 9-membered cis and trans sulfanes were isolated as a result of sulfur atom extrusion from the parent cyclic disulfanes. The results of the desulfurization of the disulfanes were compared to the results obtained for desulfurization of the respective bis(anisylphosphodithioates). Cyclic disulfanes predominantly...
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Elemental composition, environment of deposition of the Lower Carboniferous Emma Fiord Formation oil shale in Arctic Canada
PublicationThe sedimentary succession of 51-m consisting of a thin coal seam (1 m) and oil shale with a marlstone and carbonate-mudstone matrix of the Lower Carboniferous (Viséan) Emma Fiord Formation located on the Grinnell Peninsula, Devon Island, Arctic Canada was examined. The techniques used include reflected light microscopy, and instrumental neutron activation analysis (INAA) for elemental concentration, and inductively coupled plasma...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublicationOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublicationEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...