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Wyniki wyszukiwania dla: hydrogen-like atom
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1,4-DHP-lipid parameters and rod like micellae
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On Tradeoffs Between Width- and Fill-like Graph Parameters
PublikacjaIn this work we consider two two-criteria optimization problems: given an input graph, the goal is to find its interval (or chordal) supergraph that minimizes the number of edges and its clique number simultaneously. For the interval supergraph, the problem can be restated as simultaneous minimization of the path width pw(G) and the profile p(G) of the input graph G. We prove that for an arbitrary graph G and an integer t ∈ {1,...
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A hartree-fock approach to the steklov eigenproblem for a two-electron atom in an s2 state
PublikacjaW pracy rozważono zagadnienie własne typu Stekłowa (z wartścią własną występującą wyłącznie w liniowym warunku brzegowym) dla nierelatywistycznego atomu dwuelektronowego w stanie s2, znajdującego się wewnątrz wnęki kulistej. Startując z zasady wariacyjnej, wyprowadzono równanie typu Hartree-Focka dla jednoelektronowej radialnej funkcji falowej.
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Conformational stability of the full-atom hexameric model of the ClpB chaperone fromEscherichia coli
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High Temperature Corrosion Evaluation of Porous Hastelloy X Alloy in Air and Humidified Hydrogen Atmospheres
PublikacjaIn this work a commercially available porous Hastelloy X alloy is characterized in terms of high temperature corrosion resistance. The alloy was oxidized in the temperature range from 500C to 900C in air and humidified hydrogen for 100 hours. Corrosion rates and porosity changes were measured. Microstructural characterization was performed using X-ray diffractometry and scanning electron microscopy. Results show that porous alloys...
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Effect of underwater local cavity welding method conditions on diffusible hydrogen content in deposited metal
PublikacjaOne of the methods with great potential for applications in underwater repairs is local cavity welding. In local cavity method, cooling conditions and diffusible hydrogen amount in weld metal are nearly the same as those existed during welding in the air. This paper presents the results of literature survey and preliminary tests of the effect of local cavity welding conditions on diffusible hydrogen amount in a deposited metal....
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Interspecies distances between propionic acid degraders and methanogens in syntrophic consortia for optimal hydrogen transfer
PublikacjaA mixed culture from an anaerobic biowaste digester was enriched on propionate and used to investigate interspecies hydrogen transfer in dependence of spatial distances between propionate degraders and methanogens. From 20.3 mM propionate, 20.8 mM acetate and 15.5 mM methane were formed. Maximum specific propionate oxidation and methane formation rates were 49 and 23 mmol mg−1day−1, respectively. Propionate oxidation was inhibited by...
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublikacjaThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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In Vitro Studies on Nanoporous, Nanotubular and Nanosponge-Like Titania Coatings, with the Use of Adipose-Derived Stem Cells
PublikacjaIn vitro biological research on a group of amorphous titania coatings of different nanoarchitectures (nanoporous, nanotubular, and nanosponge-like) produced on the surface of Ti6Al4V alloy samples have been carried out, aimed at assessing their ability to interact with adipose-derived mesenchymal stem cells (ADSCs) and affect their activity. The attention has been drawn to the influence of surface coating architecture and its physicochemical...
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Long‐time scale simulations of virus‐like particles from three human‐norovirus strains
PublikacjaThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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INVESTIGATION OF THE CHARACTERISTICS OF A LOWEMISSION GAS TURBINE COMBUSTION CHAMBER OPERATING ON A MIXTURE OF NATURAL GAS AND HYDROGEN
PublikacjaT his article is devoted to the investigation of the characteristics of a low-emission gas turbine combustion chamber, which can be used in Floating Production, Storage and Offloading (FPSO) vessels and operates on a mixture of natural gas and hydrogen. A new approach is proposed for modelling the processes of burning out a mixture of natural gas with hydrogen under preliminary mixing conditions in gaseous fuel with an oxidizer...
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Upper respiratory tract infections and influenza-like illnesses among healthcare workers: are serological tests useful in monitoring influenza and influenza-like illness?
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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublikacjaThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublikacjaNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Characterization of various drinking waters by new potentiometric taste sensor with lipid, lipid-like polymer membranes
PublikacjaA new sensing system comprising five all-solid-state electrodes with lipid, lipid like-polymer membranes was applied for rapid qualitative and quantitative analysis of various drinking waters. The results elaborated by chemometric methods revealed sensitivity to CO2 content in drinking water, suggesting that this sensing system could be used as a taste sensor. The ability of taste sensor to perform quantitative analysis of minerals...
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Characterization of a single-stranded DNA-binding-like Protein from Nanoarchaeum equitans - a nucleic acid binding protein with broad substrate specificity
PublikacjaBackground SSB (single-stranded DNA-binding) proteins play an essential role in all living cells and viruses, as they are involved in processes connected with ssDNA metabolism. There has recently been an increasing interest in SSBs, since they can be applied in molecular biology techniques and analytical methods. Nanoarchaeum equitans, the only known representative of Archaea phylum Nanoarchaeota, is a hyperthermophilic, nanosized,...
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Novel non-metallic carbon-nitrogen photocatalysts deposited in cold plasma for hydrogen production
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Effect of Pd loading on hydrogen storage properties of disordered mesoporous hollow carbon spheres
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Experimental determination of critical conditions for hydrogen-air detonation propagation in partially confined geometry
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In situ deposition of Pd nanoparticles with controllable diameters in hollow carbon spheres for hydrogen storage
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Optimisation of cooperation of hybrid renewable energy sources with hydrogen energy storage toward the lowest net present cost
PublikacjaThe paper presents the results of a technical and economic analysis of the power supply for a model industrial facility based on intermittent renewable energy sources in the form of wind turbines and photovoltaic modules, supplemented with hydrogen energy storage. The adopted power supply strategy assumed the maximisation of self-consumption of self-produced electricity. Six variants were considered, including two with an energy...
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Hydrogen Bonds in Blends of Poly(N-isopropylacrylamide), Poly(N-ethylacrylamide) Homopolymers, and Carboxymethyl Cellulose
PublikacjaRecently, it was reported that the physical crosslinking exhibited by some biopolymers could provide multiple benefits to biomedical applications. In particular, grafting thermoresponsive polymers onto biopolymers may enhance the degradability or offer other features, as thermothickening behavior. Thus, different interactions will affect the different hydrogen bonds and interactions from the physical crosslinking of carboxymethyl...
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Dual functionality of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids: surfactants with catalytic function
PublikacjaA series of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids were synthesized. Acidic hydrogen sulfate ionic liquids with the alkyl chains C6–C14 are characterized by good surface properties. Their surface properties (adsorption and micellization parameters, degree of ionization of micelles, Krafft temperatures and thermodynamic parameters) were determined. Synthesized ionic liquids were applied as a co-catalyst...
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Bi-based halide perovskites: Stability and opportunities in the photocatalytic approach for hydrogen evolution
PublikacjaIn this study, we successfully prepared Bi-based single perovskites of the A3Bi2I9 type (A = Cs, Rb, MA, FA), and, for the first time, attempted to experimentally obtain double perovskites Cs2B’BiI6 type (B′ = Ag, Au, In, Cu). Despite the premises available in theoretical studies, our research has proven the impossibility of the existence of double perovskites of this type. Nevertheless, both types of obtained materials were subjected...
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The hydrogen evolution reaction (HER) performance of some FTO/MoS2/SnO2 electrodes
Dane BadawczeTo demonstrate the electrochemical performance of the FTO/MoS2/SnO2 for HER (hydrogen evolution reaction), the LSV (linear sweep voltammetry) was performed. The polarization curves of the obtained composite were measured in 1 M H2SO4 at room temperature with a scan rate 10 mV/s. For comparison, the LSV for the FTO, pure MoS2 and Pt plate electrode were...
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Maximizing Bio-Hydrogen and Energy Yields Obtained in a Self-Fermented Anaerobic Bioreactor by Screening of Different Sewage Sludge Pretreatment Methods
PublikacjaEgypt faces significant challenges in managing its sewage sludge generated in large quantities from wastewater treatment plants. This study investigates the feasibility of utilizing sewage sludge as a renewable resource for hydrogen production through anaerobic digestion at the 100 L bioreactor level. Hydrogen is considered a promising alternative energy source due to its high energy content and environmental benefits. To optimize...
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublikacjaWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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Influence of the substituent on amide nitrogen atom of N-acetyl tyrosine on interactions with β-cyclodextrin
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The bismuth atom neighbourhood in bismuth-silicate glasses from X-ray absorption experiment
PublikacjaPraca zawiera wyniki strukturalnej analizy EXAFS lokalnego otoczenia atomów bizmutu w krystalicznym tlenku bizmutu (odmiana alfa) i w szklach bizmutowo-krzemianowych o składzie xBi2O3 (1-x)SiO2,x=0.3, 0.4, 0.5, 0.6. Analizę XA- FS realizowano w oparciu o metodę GNXAS. Otrzymane wyniki porównano z danymi literaturowym.
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublikacjaMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Magnetic-field-induced electric quadrupole moments for relativistic hydrogenlike atoms: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaWe consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength of the external field, the only electric multipole moments, which are induced by the perturbation in the atom, are those of an even order. Using the Sturmian expansion of the generalized Dirac-Coulomb Green function we derive a closed-form expression for the electric quadrupole moment induced...
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Cartoon computation: Quantum-like algorithms without quantum mechanics
PublikacjaZaproponowano formalizm prowadzący do algorytmów analogicznych do kwantowych, lecz wykorzystujący jedynie struktury geometryczne. Jako przykład sformułowano odpowiednik kwantowego algorytmu Deutscha-Jozsy.
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Nanoparticles Influence Lytic Phage T4-like Performance In Vitro
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W-like bound entangled states and secure key distillation
PublikacjaWe construct multipartite entangled states with underlying W-type structuresatisfying positive partial transpose (PPT) condition under any (N −1)|1 partition. Then we showhow to distill a N-partite secure key from the states using two different methods: direct applicationof local filtering and novel random key distillation scheme in which we adopt the idea from recentresults on entanglement distillation. Open problems and possible...
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Multichannel taste sensors with lipid, lipid like – polymer membranes
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Chiral phonons in the honeycomb sublattice of layered CoSn-like compounds
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Green porous benzamide-like nanomembranes for hazardous cations detection, separation, and concentration adjustment
PublikacjaGreen biomaterials play a crucial role in the diagnosis and treatment of diseases as well as health-related problem-solving. Typically, biocompatibility, biodegradability, and mechanical strength are requirements centered on biomaterial engineering. However, in-hospital therapeutics require an elaborated synthesis of hybrid and complex nanomaterials capable of mimicking cellular behavior. Accumulation of hazardous cations like...
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Structure and thermoelectric properties of nickel-doped copper selenide synthesised in a hydrogen atmosphere
PublikacjaNickel-doped copper selenide—Cu2-xNixSe (x = 0; 0.01; 0.02; 0.03)—materials with high thermoelectric properties were synthesised through reduction of reagents in hydrogen. The impact of the nickel content on both the microstructure and thermoelectric properties was examined. The nickel-doped samples’ microstructure differed significantly from pristine copper selenide. Besides Cu2Se, copper precipitations were present in the materials....
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sp2-rich dendrite-like carbon nanowalls as effective electrode for environmental monitoring of explosive nitroaromatic
PublikacjaNitroaromatic compounds are commonly used explosive materials that pose a risk to human health and ecosystems due to their acute toxicity and carcinogenicity. Nitroaromatics have numerous pathways into the environment via discarded munitions (e.g. into the Baltic Sea after World War II), after use in mining operations, and in industrial run-off from factories producing these compounds (which are produced across the world to date)....
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Theoretical and experimental analysis of guided wave propagation in plate-like structures with sinusoidal thickness variations
PublikacjaGuided waves have attracted significant attention for non-destructive testing (NDT) and structural health monitoring (SHM) due to their ability to travel relatively long distances without significant energy loss combined with their sensitivity to even small defects. Therefore, they are commonly used in damage detection and localization applications. The main idea of incorporating guided waves in NDT and SHM is based on processing...
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M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublikacjaMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublikacjaCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Synthesis, structure and physical properties of new intermetallic spin glass-like compounds RE2PdGe3 (RE = Tb and Dy)
PublikacjaNew intermetallic compounds Tb2Pd1.25Ge2.75 and Dy2Pd1.25Ge2.75 have been synthesized using the arc-melting method. The crystallographic structure and magnetic, electronic transport, and thermal properties are reported. The crystal structure obtained from powder x-ray diffraction analysis suggests that these compounds crystallize in the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.228 53(5)/4.230 54...
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Nickel-based catalysts for electrolytic decomposition of ammonia towards hydrogen production
PublikacjaNickel is an attractive metal for electrochemical applications because it is abundant, cheap, chemically resilient, and catalytically active towards many reactions. Nickel-based materials (metallic nickel, its alloys, oxides, hydroxides, and composites) have been also considered as promising electrocatalysts for ammonia oxidation. The electrolysis of ammonia aqueous solution results in evolution of gaseous hydrogen and nitrogen....
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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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Hydrogen migration in photodissociation of the pyridine molecules
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Hydrogen generation using solar energy
PublikacjaWodór jest uważany za alternatywne i odnawialne źródło energii. Bezpośrednie wykorzystanie światła słonecznego do fotokatalitycznego lub fotoelektrochemicznego rozkładu wody może zapewnić w przyszłości ekonomicznie uzasadnione, alternatywne źródło wodoru. W pierwszym etapie naszych badań został zaprojektowany i zbudowany hybrydowy, fotowoltaiczno-elektrochemiczny układ, dokonujący konwersji energii promieniowania słonecznego na...
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Hydrogen generation using solar energy
PublikacjaWodór jest uważany za alternatywne i odnawialne źródło energii. Bezpośrednie wykorzystanie światła słonecznego do fotokatalitycznego lub fotoelektrochemicznego rozkładu wody może zapewnić w przyszłości ekonomicznie uzasadnione, alternatywne źródło wodoru. W wystąpieniu przedstawione zostały wyniki dotychczasowych prac związanych z hybrydową, fotowoltaiczno-elektrochemiczną instalacją do rozkładu wody oraz omówione zostały kierunki...
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Methods for the characterizing hydrogen degradation of materials
PublikacjaDokonano przeglądu różnych metod szacowania podatności na niszczenie wodorowe materiałów metalowych. Zaprezentowano charakterystyki warunków środowiskowych: standardowe składy środowisk ciekłych i gazowych, temperatury, warunki polaryzacji elektrochemicznej. Omówiono metody mechaniczne szacowania niszczenia wodorowego różniące się stanem naprężeń, w tym badania: przy stałym obciążeniu, stałym odkształceniu i stałej niskiej szybkości...