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Search results for: HYDROGEN-BASED DIRECT REDUCTION
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublicationA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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Exfoliated graphite with spinel oxide as an effective hybrid electrocatalyst for water splitting
PublicationThe aim of the conducted research was to develop hybrid nanostructures formed from MnCo2O4 and exfoliated graphite. Carbon added during the synthesis allowed for obtaining a well-distributed MnCo2O4 particle size with exposed active sites contributing to the increased electric conductivity. The influence of the weight ratios of carbon to a catalyst for hydrogen and oxygen evolution reactions was investigated. The new bifunctional...
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Gasification of Densified Biomass (DB) and Municipal Solid Wastes (MSW) Using HTA/SG Technology
PublicationThe necessity of economical and rational use of natural energy sources caused a rapid development of research on the possibilities of using non‐conventional energy resources. Taking the above into account, a new technological process of thermochemical conversion of biomass and communal waste, commonly known as High Temperature Air/Steam Gasification (HTA/SG) and Multi‐Staged Enthalpy Extraction Technology (HTAG‐MEET), was developed....
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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Fabrication, Microstructure and High Temperature Corrosion Resistance of Porous Alloys for Solid Oxide Fuel Cells
PublicationPorous alloys find use in modern Solid Oxide Fuel Cells as the supporting structures. As they are exposed to high temperatures (> 500°C) an oxide scale forms on their surface due to high temperature corrosion phenomena. Since the ratio between the surface area and volume is much higher than for planar samples, formation of the oxide can lead to a breakaway oxidation after relatively short times. Therefore corrosion properties of...
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Bis(ammonium) Zoledronate Dihydrate
PublicationNeutralization of 2-(1-imidazole)-1-hydroxyl-1,1`-ethylidenediphosphonic acid (zoledronic acid) by an excess of ammonia yielded bis(ammonium) zoledronate dihydrate, {C5H8N2O7P2 2−, 2(H4N+), 2(H2O)}. The product is readily soluble in water and forms monocrystals for which the X-ray structural analysis was carried out. The zoledronic anion is of double negative charge due to deprotonation of three P–OH groups and protonation of the...
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublicationThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
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Time evolution of Electrochemical Impedance spectra of cathodically protected steel in artificial seawater
PublicationUsability of Electrochemical Impedance Spectroscopy data for better cathodic protection control was investigated. Carbon steel – S235JR2 grade specimen were exposed in artificial seawater environment. Samples were polarized and their potentials corresponded to four different cathodic protection degrees. Time evolution of Electrochemical Impedance spectra was investigated. Goodness of fit function (X2) was analysed in terms of proper...
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Thermochemical Conversion of Biomass and Municipal Waste into Useful Energy Using Advanced HiTAG/HiTSG Technology
PublicationAn advanced thermal conversion system involving high-temperature gasification of biomass and municipal waste into biofuel, syngas or hydrogen-rich gas is presented in this paper. The decomposition of solid biomass and wastes by gasification is carried out experimentally with a modern and innovative regenerator and updraft continuous gasifier, among others. A ceramic high-cycle regenerator provides extra energy for the thermal conversion...
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Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
PublicationExperiments performed in recent years on positron scattering from molecular hydrogen indicated a rise of the total cross section in the limit of zero energy, but essentially disagree on the amplitude of this rise. Mitroy and collaborators [J.-Y. Zhang et al., Phys. Rev. Lett. 103, 223202 (2009)] predicted a scattering length somewhat different from values deduced experimentally. Using a Markov chain Monte Carlo modified effective...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Green adsorbents and solvents in food analysis
PublicationGreen analytical chemistry aims to minimize the negative impact of analytical procedures on the environment and human health. This can be achieved through the use of non-toxic and environmentally friendly reagents. Classical green solvents include water, ethanol, acetone, and supercritical fluids. Water has been used for the extraction of water-soluble compounds (sugars, amino acids). Ethanol and acetone have been used for the...
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Cathodic Activation of Titania-Fly Ash Cenospheres for Efficient Electrochemical Hydrogen Production: A Proposed Solution to Treat Fly Ash Waste
PublicationFly ash (FA) is a waste product generated in huge amounts by coal-fired electric and steam-generating plants. As a result, the use of FA alone or in conjunction with other materials is an intriguing study topic worth exploring. Herein, we used FA waste in conjunction with titanium oxide (TiO2) to create (FA-TiO2) nanocomposites. For the first time, a cathodic polarization pre-treatment regime was applied to such nanocomposites...
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Determination of volatile fatty acids in municipal wastewater and leachates from sewage sludge allotments and compost piles using direct aqueous injection gas chromatography preceded by distillation based sample cleanup
PublicationOpracowano metodykę i wykorzystano ją do oznaczania lotnych kwasów tłuszczowych w zanieczyszczonych próbkach wodnych,takich jak ścieki komunalne, odcieki ze składowiska osadów ściekowych i pryzm kompostu, stosując metodę bezpośredniego dozowania rzeczywistej próbki wodnej lub jej rektyfikatu do chromatografu gazowego.
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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations
PublicationWe present a complete exploration of the different fragmentation mechanisms of furan (C4H4O) operating at low and high energies. Three different theoretical approaches are combined to determine the structure of all possible reaction intermediates, many of them not described in previous studies, and a large number of pathways involving three types of fundamental elementary mechanisms: isomerization, fragmentation, and H/H2 loss...
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Dissociation and fragmentation of furan by electron impact
PublicationDissociation and fragmentation processes that produce electronically excited atomic and molecular fragments, following electron impact excitation, have been studied in furan. The optical excitation technique has been employed over the electron incident energy range 15-95 eV. Formation of excited hydrogen atoms H(n) in the n = 4-10 states has been detected by observation of the Balmer series. The diatomic CH fragments are formed...
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Spatial characterization of H 2: CH 4 dissociation level in microwave ECR plasma source by fibre-optic OES
PublicationSpatially resolved optical emission spectroscopy (SR-OES) was used to investigate microwave activated H2/Ar/CH4 plasma under conditions of the electron cyclotron resonance (ECR). The chemistry and composition of the gas phase were studied using self-designed fibre-optic system with echelle type spectrometer during CVD deposition of polycrystalline diamond. One-dimensional intensity profiles of the main species were collected along...
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Highly stable organic–inorganic junction composed of hydrogenated titania nanotubes infiltrated by a conducting polymer
PublicationA poly(3,4-ethylenedioxythiophene) conducting polymer doped with poly(2-styrene sulfonate) (pEDOT:PSS) was efficiently electrodeposited on a layer composed of ordered titania nanotubes. TiO2 nanotubes were formed during an anodization process and, after calcinations, a layer was subjected to hydrogen plasma. Hydrogenation leads to Ti(III) formation, a decrease in resistance, and a huge increase of donor density when compared with...
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Rozdział 10.2 Metody oznaczania właściwości przeciwutleniających próbek żywności
PublicationWystępowanie większości chorób cywilizacyjnych może być rezultatem stresu oksydacyjnego prowadzącego do różnorodnych zmian w ludzkim organizmie, wywołanych działaniem tzw. reaktywnych form tlenu. Z tego też powodu pojawiło się olbrzymie zapotrzebowanie na szybkie testy umożliwiające pomiar całkowitej zawartości przeciwutleniaczy czy też ogólnej siły przeciwutleniającej produktów żywnościowych a w szczególności świeżych warzyw...
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Application of Spinel and Hexagonal Ferrites in Heterogeneous Photocatalysis
PublicationSemiconducting materials display unique features that enable their use in a variety of applications, including self-cleaning surfaces, water purification systems, hydrogen generation, solar energy conversion, etc. However, one of the major issues is separation of the used materials from the process suspension. Therefore, chemical compounds with magnetic properties have been proposed as crucial components of photocatalytic composites,...
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Structural changes of bacterial cellulose due to incubation in conditions simulating human plasma in the presence of selected pathogens
PublicationBacterial nanocellulose (BNC) is a natural biomaterial with a wide range of medical applications. However, it cannot be used as a biological implant of the circulatory system without checking whether it is biodegradable under human plasma conditions. This work aimed to investigate the BNC biodegradation by selected pathogens under conditions simulating human plasma. The BNC was incubated in simulated biological fluids with or...
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The influence of the welding environment on the properties of Tekken joints made from S355J2C+N steel
PublicationThere are three main methods of underwater welding: dry, wet and intermediate between them, by using the local dry chamber. Due to low costs, the most common method is the wet welding with the use of covered electrodes. Water as a welding environment carries out a lot of problems. The first is limited visibility and instability of the welding arc. The biggest problem during underwater welding is high susceptibility to cold cracking,...
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Influence of alkaline and oxidative pre-treatment of waste corn cobs on biohydrogen generation efficiency via dark fermentation
PublicationStages of waste corn cobs processing leading to the production of biohydrogen via dark fermentation are presented and discussed in this paper. Firstly, the effects of pretreatment conditions i.e. alkaline, alkaline-oxidizing and Fenton oxidizing pre-treatment of lignocellulosic biomass on the removal of lignin were examined. The solid residue obtained in the first stage was subjected to saccharification by means of enzymatic hydrolysis....
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Risks related to car fire on innovative Poroelastic Road Surfaces-PERS
PublicationTo reduce tyre/road noise, the concept of poroelastic road surfaces (PERS) was invented. PERS is a road surface material that is porous, and at the same time, it is flexible because of the substantial amount of rubber granulate content (from 20% to 85%). The rubber and stone particles are bound by polyurethane resin instead of bitumen. It was feared that in case of fire, because of the high content of rubber and polyurethane, there...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublicationThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Cold plasma treatment of tannic acid as a green technology for the fabrication of advanced cross-linkers for bioactive collagen/gelatin hydrogels
PublicationTannic acid (TA) is a natural compound studied as the cross-linker for biopolymers due to its ability to form hydrogen bonds. There are different methods to improve its reactivity and effectiveness to be used as a modifier for biopolymeric materials. This work employed plasma to modify tannic acid TA, which was then used as a cross-linker for fabricating collagen/gelatin scaffolds. Plasma treatment did not cause any significant...
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The influence of dynamic load changes on temporary impedance in hydrogen fuel cells, selection and validation of the electrical equivalent circuit
PublicationTo achieve optimal performance of a fuel cell, a reliable monitoring and diagnostic method is required. The currently utilized methods give limited information or they are impossible to use under dynamic working conditions. To obtain comprehensive information about the fuel cell operation we utilized novel dynamic electrochemical impedance spectroscopy. Impedance measurements in dynamic mode were performed on a hydrogen fuel cell,...
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Optoelectronic system for monitoring of thin diamond layers growth
PublicationDevelopment of the optoelectronic system for monitoring of diamond/DLC (Diamond-Like-Carbon) thin films growth during mu PA ECR CVD (Microwave Plasma Assisted Electron Cyclotron Resonance Chemical Vapour Deposition) process is described. The multi-point Optical Emission Spectroscopy (OES) and Raman spectroscopy were employed as non-invasive optoelectronic tools. Dissociation of H-2 molecules, excitation and ionization of hydrogen...
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Efficiency of linear and non-linear classifiers for gas identification from electrocatalytic gas sensor
PublicationElectrocatalytic gas sensors belong to the family of electrochemical solid state sensors. Their responses are acquired in the form of I-V plots as a result of application of cyclic voltammetry technique. In order to obtain information about the type of measured gas the multivariate data analysis and pattern classification techniques can be employed. However, there is a lack of information in literature about application of such...
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Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublicationIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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Stark effect of atomic helium singlet lines
PublicationWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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Effectiveness of a dual surface modification of metallic interconnects for application in energy conversion devices
PublicationA dual surface modification of an SOFC metallic interconnect with a Gd2O3 layer and an MnCo2O4 coating was evaluated. The tested samples were oxidized for 7000 h in air at 1073 K. Oxidation products were characterized using XRD, SEM-EDS, and confocal Raman imaging, and ASR was measured. The effect of gadolinium segregation at grain boundaries in Cr2O3 was evaluated using S/TEM-EDS. Area specific-resistance was measured and fuel...
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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Local Conformation and Cocrystallization Phenomena in Renewable Diaminoisoidide-Based Polyamides Studied by FT-IR, Solid State NMR, and WAXD
PublicationBiobased polyamides synthesized from diaminoisoidide (DAII), 1,4-diaminobutane, and sebacic acid are investigated by FT-IR, 13C{1H} magic-angle spinning/cross-polarization (CP/MAS) NMR spectroscopy, and WAXD. Their molecular conformation and mobility undergo distinct changes as a function of temperature and diaminoisoidide content in the compositions. The presence of randomly distributed diaminoisoidide (DAII) in the polyamides...
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Fragmentation of Tetrahydrofuran Molecules by H+, C+, and O+ Collisions at the Incident Energy Range of 25–1000 eV
PublicationWe have studied fragmentation processes of the gas-phase tetrahydrofuran (THF) molecules in collisions with the H+, C+, and O+ cations. The collision energies have been varied between 25 and 1000 eV and thus covered a velocity range from 10 to 440 km/s. The following excited neutral fragments of THF have been observed: the atomic hydrogen H(n), n = 4–9, carbon atoms in the 2p3s 1P1, 2p4p 1D2, and 2p4p 3P states and vibrationally...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublicationSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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The novel sterilization device: the prototype testing
PublicationCurrently, there are numerous methods that can be used to neutralize pathogens (i.e., devices, tools, or protective clothing), but the sterilizing agent must be selected so that it does not damage or change the properties of the material to which it is applied. Dry sterilization with hydrogen peroxide gas (VHP) in combination with UV-C radiation is well described and effective method of sterilization. This paper presents the design,...
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A magnetic stir bar sorbent of metal organic frameworks, carbon foam decorated zinc oxide and cryogel to enrich and extract parabens and bisphenols from food samples
PublicationA porous composite magnetic stir bar adsorbent was fabricated for the extraction and enrichment of parabens and bisphenols from selected beverage samples. The adsorbent comprised a metal organic framework, carbon foam decorated zinc oxide and magnetic nanoparticles embedded in polyvinyl alcohol cryogel. The porous composite stir bar adsorbent could adsorb parabens and bisphenols via hydrogen bonding, π-π and hydrophobic interactions....
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Fabrication of wormhole-like YSZ and Ni-YSZ by the novel soft-hard template CTAB/NaCl-assisted route. Suppressing Ni coalescence in SOFC
PublicationA novel one-pot synthesis route leading to the formation of a wormhole-like structure was developed for the successful fabrication of porous YSZ and Ni-YSZ systems. This method involved co-precipitation in the presence of the micelle-forming agents CTAB/Pluronic P123 and crystallising NaCl. The obtained skeletons were mechanically stable and presented almost 50% uniform, open porosity without using any additional pore-formers....
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HR-CS FAAS based method for direct determination of total concentrations of Ca, Fe, Mg and Mn in functional apple beverages and evaluation of contributions of the bioaccessible fraction of these elements by in vitro gastrointestinal digestion and chemical fractionation
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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...
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Effects of Salvia officinalis and Thymus vulgaris on oxidant-induced DNA damage and antioxidant status in HepG2 cells
PublicationSalvia officinalis (SO) and Thymus vulgaris (TV) are medicinal plants well known for their curative powers. However, the molecular mechanisms responsible for these abilities of sage and thyme have not been fully understood yet. In this study we investigated the composition and the quantitative estimation of plant extracts, the protective effects of plant extracts against hydrogen peroxide- and 2,3-dimethoxy-1,4 naphthoquinone-induced...
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
PublicationPhotofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region, producing excited atomic and molecular fragments, has been studied over the energy range 14-68 eV using photon-induced fluorescence spectroscopy. Excited hydrogen atoms H(n), n = 3-11, have been detected by observation of the Hα to Hı lines of the Balmer series. The diatomic CH(A2Δ), CH(B2Σ-) and C2(d3Πg) fragments, which are excited to low vibrational...
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Koncepcja i modelowanie wysokoobrotowego napędu elektrycznego turbosprężarki. Zastosowanie w ogniwach paliwowych pojazdów samochodowych
PublicationAbstract: Electrical vehicles powered by hydrogen fuel cells become a potential alternative to conventional vehicles. The polymer electrolyte membrane (PEM) are typical fuel cells used in fuel cell vehicle (FCV). The global efficiency of a PEM fuel cell stack is greatly impacted by the use of a motorized compressor for the air supply system. The motor-compressor set-up may consume up to 19 % of the energy supplied by the PEM fuel...
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Gentiana asclepiadea exerts antioxidant activity and enhances DNA repair of hydrogen peroxide- and silver nanoparticles-induced DNA damage
PublicationExposure to high levels of different environmental pollutants is known to be associated with induction of DNA damage in humans. Thus DNA repair is of great importance in preventing mutations and contributes crucially to the prevention of cancer. In our study we have focused on quantitative analysis of Gentiana asclepiadea aqueous or methanolic extracts obtained from flower and haulm, their antioxidant potency in ABTS post-column...
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Theoretical studies of fragmentation processes of neutral and ionized furan molecule
PublicationThis PhD thesis focuses on the fragmentation mechanism of the furan molecule in the gas phase. The approach taken in this work comprised of three theoretical methodologies considering the dynamical, energetical and entropic aspects of the studied process. First, molecular dynamics simulations were performed. Next, the potential energy surfaces were explored at the DFT/B3LYP level of theory. Finally, a new statistical Microcanonical...
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MnxCo3-xO4 spinel oxides as efficient oxygen evolution reaction catalysts in alkaline media
PublicationThe design of efficient electrocatalysts for oxygen evolution reaction (OER) is an essential task in developing sustainable water splitting technology for the production of hydrogen. In this work, manganese cobalt spinel oxides with a general formula of MnxCo3-xO4 (x=0, 0.5, 1, 1.5, 2) were synthesised via a soft chemistry method. Non-equilibrium mixed powder compositions were produced, resulting in high electrocatalytic activity....
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Why Are Left-Handed G-Quadruplexes Scarce?
PublicationG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....