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Wyniki wyszukiwania dla: hydrogen production
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EFFECT OF SURFACE STATE AND STRESS ON AN OXIDATION OF THE ZIRCALOY-2 ALLOY
PublikacjaZr alloys are widely used as materials for nuclear fuel pellets in the nuclear industry. In the case of the LOCA or RIA happen, a temperature may locally reach high values. Even if the high temperature maintains shortly, the zirconium oxides may become permeable, absorb hydrogen appearing in cooling water from decomposition reaction and crack because of formation and brittle failure of hydrides. Such model cannot so far take into...
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Plasticity of Bead-On-Plate Welds Made with the Use of Stored Flux-Cored Wires for Offshore Applications
PublikacjaExtreme atmospheric conditions in the marine and offshore industry are harmful to engineering materials, especially to welded joints, and may cause degradation of their properties. This article presents the results of research on the plasticity of bead-on-plate welds made using two types of seamless, copper plated flux-cored wires. Before welding, spools with wire were stored for 1 month in two distinct locations with different...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublikacjaTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublikacjaDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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The impact of graphene on the electrochemical performance of BiMeVOx catalysts in water splitting
PublikacjaThe development of efficient catalysts for electrochemical water splitting has become a significant contemporary challenge. Transition metal oxides, due to their unique electrochemical properties, have emerged as promising candidates. Among these, a group of BiMeVOx-based compounds shows particular potential for practical applications in hydrogen and oxygen evolution reactions. However, improvement is still necessary to achieve...
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MOF/TiO2 erythrocyte-like heterostructures decorated by noble metals for use in hydrogen photogeneration and pollutant photodegradation
PublikacjaVarious metal–organic framework (MOF)/TiO2 heterostructures can be obtained by the partial hydrolysis or calcination of Ti-based MOFs. By adjusting the hydrolysis and calcination steps of NH2-MIL-125 (Ti), a novel photoactive material composed of a MOF (NH2-MIL-125 (Ti)) and TiO2, with a unique “erythrocyte” shape, was developed. Furthermore, modification of the composition prepared by the partial hydrolysis of NH2- MIL-125 (Ti)...
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From Janus nanoparticles to multi-headed structure - photocatalytic H2 evolution
PublikacjaThe generation of stable, high-performance photocatalysts with appropriate charge distribution for solar energy conversion is currently one of the urgent missions of photocatalytic science. Recent studies have shown that the Janus NPs with characteristic varied, asymmetric structure may boost overall efficiency of photocatalys. However, there is still a lack of systematic studies in which Janus-type particles are used in the hydrogen...
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Hydrogen sulphide electrocatalytic gas sensor
PublikacjaIn this article measurement results of the electrocatalytic gas sensor in different concentrations of hydrogen sulphide are presented. Working principle of such sensor is based on electric current acquisition, while voltage ramp is applied to the sensor. During voltage sweep oxidation and reduction reactions occurs on the sensor electrodes. Obtained current-voltage plot has unique shape connected...
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The possibility of use keratin products in various branches of industry
PublikacjaBird's feather, the main by-product of the poultry industry, are not enough utilized and negatively influencing the environment. They contain large amount of keratin, the protein with high cystine content. The aim of our work was to obtain hydrolysates and isolates of keratin, which can be used in various areas of food, cosmetics, pharmaceutical industry and as animal feed. Keratin can be hydrolyzed and extracted from feather after...
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Environmental degradation of Ti alloys in artificial saliva and a role of fluorides
PublikacjaThe titanium and its alloys are potentially prone to hydrogen embrittlement, including those proposed for dental implants. The research has been aimed to assess a susceptibility to environment-enhanced degradation of the Ti-13Zr-13Nb alloy in artificial saliva with or without hydrofluoric acid, subject or not to cathodic polarisation. The results have shown that even if artificial saliva is safe environment, both cathodic polarization...
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Interactions between components of SrTi0.98 Nb0.02O3-δ-YSZ and SrTi0.98 Nb0.02O3-δ -CeO2 composites
PublikacjaComposites consisting of SrTiO3-based perovskite and either yttria-stabilized zirconia or ceria were investigated. The mechanical compatibility and possible inter-diffusion between phases were characterized by scanning electron microscopy, X-ray diffraction, and energy-dispersive X-ray spectroscopy. A gradual disappearance of Ce-containing phases with an increase in the temperature of reduction in hydrogen was noticed. Moreover,...
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Environmental degradation of titanium alloy in artificial saliva
PublikacjaThe titanium and its alloys are potentially prone to hydrogen embrittlement, including those proposed for dental implants. The research has been aimed to assess a susceptibility to environment-enhanced degradation of the Ti-13Zr-13Nb alloy in artificial saliva with or without hydrofluoric acid, subject or not to cathodic polarisation. The results have shown that even if artificial saliva is safe environment, both cathodic polarization...
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublikacjaThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
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Preparation of 1-[Ω-(1,4,5,6-Tetrahydropyrimidin-2-yl)alkyl]thymines
PublikacjaOne-stage prepn. of the hydrochloride salts of 1-[ω-(1,4,5,6-tetrahydropyrimidin-2-yl)alkyl]-thymines, e.g. I, from 1-(ω-cyanoalkyl)thymines and a 1:1-mixt. of 1,3-diaminopropane and ethanol satd. with hydrogen sulfide is described. 1-(2-Cyanoethyl)-thymine gave a facile reversal of the Michael reaction to thymine under the conditions used. The reaction of 1,3-bis(3-cyanobenzyl)thymine with the above reagent produced 1,3-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzyl]thymine.
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Influence of yttria surface modification on high temperature corrosion of porous Ni22Cr alloy
PublikacjaProtective coatings for porous alloys for high temperature use are relatively new materials. Their main drawback is high temperature corrosion. In this work protective coatings based the on Y-precursor infiltrated into the sintered Ni22Cr alloys are studied at 700°C. Effects of the amount of the protective phase on the resulting corrosion properties are evaluated in air and humidified hydrogen. Weight gain of the samples, their...
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Solubility of Carbon Dioxide in Deep Eutectic Solvents Based on 3-Amino-1-Propanol and Tetraalkylammonium Salts at Low Pressure
PublikacjaDeep eutectic solvents (DESs) became an object of a great interest as an alternative to ionic liquids (ILs) and commonly used in CO2 capture amine solutions. In the present study, five different DESs based on 3-amino-1-propanol as physical-chemical CO2 absorbents were used. The composition was chosen in order to estimate the effects of hydrogen bond acceptor:hydrogen bond donor (HBA:HBD) molar ratio, anion type and length of alkyl...
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Tailoring Diffusional Fields in Zwitterion/Dopamine Copolymer Electropolymerized at Carbon Nanowalls for Sensitive Recognition of Neurotransmitters
PublikacjaThe importance of neurotransmitter sensing in the diagnosis and treatment of many psychological illnesses and neurodegenerative diseases is non-negotiable. For electrochemical sensors to become widespread and accurate, a long journey must be undertaken for each device, from understanding the materials at the molecular level to real applications in biological fluids. We report a modification of diamondized boron-doped carbon nanowalls...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublikacjaN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublikacjaThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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Syntheses and structures of the first terminal phosphanylphosphido complexes of molybdenum(IV)
PublikacjaThe reactions of R2P-P(SiMe3)Li (R = tBu, iPr2N) with [Cp2MoCl2] yield terminal phosphanylphosphido complexes formally via the insertion of the phosphinidene P-atom into the C - H bond of a cyclopentadienyl ring and the migration of the hydrogen atom or SiMe3 moiety to the molybdenum centre. Solid state structures of [Cp(C5H4P-PtBu2)MoH], [Cp(C5H4P-PtBu2)Mo(SiMe3)] and [Cp{C5H4P-P(NiPr2)2}Mo(SiMe3)] were established by single crystal...
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Electrical and structural properties of Nb-doped SrTiO3
PublikacjaNiobium-doped strontium titanate synthesized via conventional solid-state reaction has been studied. Influence of niobium content on the lattice parameters and electrical conductivity has been reported. Various reduction conditions have been investigated. For samples reduced in hydrogen at 1400°C, a transition from thermally activated to metallic behavior has been observed. Maximum electrical conductivity (ca. 55 Scm−1 at 650°C)...
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Two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaWe consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr¨odinger perturbation theory, using the Sturmian expansion of the generalized radial Coulomb Green function, we derive explicit analytical expressions for corrections to an arbitrary planar hydrogenic bound-state energy level, up to the fourth...
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Inhibitive effect of sodium molybdate on corrosion of AZ31 magnesium alloy in chloride solutions
PublikacjaIn this work, corrosion inhibition of the AZ31 magnesium alloy was investigated in NaCl solutions containing different amounts of sodium molybdate inhibitor. Electrochemical, hydrogen evolution, microscopic, and spectroscopic experiments were utilized to examine the mechanism of corrosion inhibition by molybdates. The results showed that Na2MoO4 inhibitor provides reliable inhibition at high concentrations (150 mM). Surface examination...
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Formation of OH Radicals as Evidence of Intramolecular Hydrogen Migration in Cation-Induced Dissociation of Furan Molecules
PublikacjaWe present the experimental results on a hydrogen atom migration preceding fragmentation of the furan molecules induced by the H3+ and C+ impact. The excited OH(A2Σ+) radical has been detected among the furan decomposition products using collision-induced emission spectroscopy. However, the OH moiety is absent in the furan ring skeleton, so detecting the OH(A2Σ+→X2Π) luminescence indicates the intramolecular H atom relocation prior...
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Weldability of S500MC Steel in Underwater Conditions
PublikacjaWet welding with the use of covered electrodes is one of the methods of underwater welding. This method is the oldest, the most economic and the most versatile. The main difficulties during underwater wet welding are: high cooling rates of the joint, the presence of hydrogen in the arc area and formation of hard martensitic structure in the weld. These phenomena are often accompanied by porosity of welds and large number of spatters,...
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Występowanie bakterii siarkowych a jakość wód podziemnych ujęcia Osowa
PublikacjaAbstrakt. Microorganisms that live in groundwater should be considered not only from the sanitary-hygienic point of view but also in terms of adverse changes in groundwater chemistry in the aquifer layer and its negative influence on the installed devices. For these reasons, it is important to correct approach to the problem of bacterial contamination of groundwater. The paper presents selected results of physicochemical and bacteriological...
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Taurine as a water structure breaker and protein stabilizer
PublikacjaThe enhancing effect on the water structure has been confirmed for most of the osmolytes exhibiting both stabilizing and destabilizing properties in regard to proteins. The presented work concerns osmolytes, which should be classified as “structure breaking” solutes: taurine and N,N,N-trimethyltaurine (TMT). Here, we combine FTIR spectroscopy, DSC calorimetry and DFT calculations to gain an insight into the interactions between...
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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublikacjaMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...
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Effect of Arc Strikes on High Strength Low Alloy Steels Welded by SMAW
PublikacjaWet welding with covered electrodes (Shielded Metal Arc Welding – SMAW) is the most commonly used method of carrying out welding repair works in a water environment. Limited visibility and the inability to move freely under water result in an increased risk of formation of welding imperfections such as lack of fusion, lack of penetration and arc strikes. The work focused on changes in the properties and structure of steel subjected...
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Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate
PublikacjaIn the title compound, NH4+·(C2H5O)2PS2−, the ammonium cation is connected by four charge-assisted N−H···S hydrogen bonds to four tetrahedral O,O'-diethyl dithiophosphate anions, forming layers parallel to (100). The polar and non-polar constituents of the layers are stacked alternately along [100]. Interlacing of the external ethyl groups...
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Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu, iPr, iPr2N, Et2N) with [Cp2WCl2]. Syntheses and Structures of the First Terminal Phosphanylphosphido Complexes of Tungsten(IV)
PublikacjaReactions of R2P−P(SiMe3)Li (R = tBu, iPr, iPr2N, Et2N) with [Cp2WCl2] yield terminal phosphanylphosphido complexes [Cp(C5H4P-PR2)WH] or [Cp{C5H4P-PR2}-W(SiMe3)] by way of a hydrogen or SiMe3 migration to tungsten. The solid-state structures of [Cp(C5H4P−PtBu2)-WH] and [Cp(C5H4P-PNEt2)WH] were established by singlecrystalX-ray diffraction. Two stereoisomers of [Cp(C5H4P−PtBu2)WH] were identified by solution NMR spectroscopy. Reaction...
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Cold Cracking Of Underwater Wet Welded S355G10+N High Strength Steel
PublikacjaWater as the welding environment determines some essential problems influencing steel weldability. Underwater welding of high strength steel joints causes increase susceptibility to cold cracking, which is an effect of much faster heat transfer from the weld area and presence of diffusible hydrogen causing increased metal fragility. The paper evaluates the susceptibility to cold cracking of the high strength S355G10+N steel used,...
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Optoelectronic system for investigation of cvd diamond/DLC layers growth
PublikacjaDevelopment of the optoelectronic system for non-invasive monitoring of diamond/DLC (Diamond-Like-Carbon) thin films growth during μPA ECR CVD (Microwave Plasma Assisted Electron Cyclotron Resonance Chemical Vapour Deposition) process is described. The system uses multi-point Optical Emission Spectroscopy (OES) and long-working-distance Raman spectroscopy. Dissociation of H2 molecules, excitation and ionization of hydrogen atoms...
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Noise related to gas bottles explosions
PublikacjaModern industrialized world is in a never ending danger of accidents and catastrophes of technical nature. Some of them may involve fires and explosions of gas storage bottles or containers. Technical University of Gdansk, Poland performed numerous tests where bottles containing acetylene, oxygen, hydrogen, CO2, LPG, LNG or CNG were blown due to excessive temperature caused by fire. Although those experiments were not focused on...
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Anion binding by p-aminoazobenzene-derived aromatic amides: spectroscopic and electrochemical studies
PublikacjaThe synthesis and complexing properties of p-aminoazobenzene-derived mono-, bis-, and trisamides were described. Ligands 3 and 4 bind anions, including fluorides, chlorides, bromides, acetates, benzoates, dihydrogen phosphates, hydrogen sulfates, and p-toluenesulfonates, in chloroform forming 1 : 1 complexes. The highest value of stability constant was evaluated for the 4-F− complex (log K = 5.63 ± 0.21). On the basis of 1H NMR,...
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Instantaneous Impedance Analysis of Non-Stationary Corrosion Process: a Case Study of Carbon Steel in 1M HCl
PublikacjaThe paper concerns the problem of evaluation of stationarity of carbon steel corrosion in 1M HCl. Comparison of corrosion rate with addition of corrosion inhibitor to the reference measurement is the most often used way of evaluating inhibitor efficiency. Such an approach is valid only if corrosion rate is a stationary process. Two complementary techniques were used simultaneously: volumetric analysis of evolved hydrogen and instantaneous...
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Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
PublikacjaThe synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3,I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one,C22H16O3,II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H---O and O—H---O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated...
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Optical Spectroscopic Studies of Tetrahydrofuran Fragmentation Induced by Collisions with Dihydrogen Cations
PublikacjaCollisions of dihydrogen cations with tetrahydrofuran molecules have been studied. Luminescence spectra and the emission functions of the excited products at projectile energies ranging from 8 to 1000 eV have been measured using collision-induced emission spectroscopy. The recorded spectra are dominated by the atomic lines of the hydrogen Balmer series, whose intensities decrease more quickly than derived by the quantum-theoretical...
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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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Characterization of 1,3-alternate calix[4]arene-silica bonded stationary phases and their comparison to selected commercial columns by using principal component analysis
PublikacjaTwelve calix[4]arene stationary phases in 1,3-alternate conformation, synthesized in the authors laboratory, were characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity and ion-exchange capacity. The set of tests commonly used for evaluation of commercially available stationary phases was applied to assess fundamental chromatographic properties...
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Fe local structure in Pt-free nitrogen-modified carbon based electrocatalysts: XAFS study
PublikacjaThe paper presents a new results on the bonding environment (coordination number and geometry) and on oxidation states of Fe in nitrogen-modified Fe/C composites used as Pt-free catalysts for oxygen reduction in Direct Hydrogen Fuel Cells. Starting from glucose or fructose, two catalysts displaying different electrochemical performance were prepared and studied in the form of pristine powder and thin catalytic layer of electrode...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublikacjaFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Cation sensing by diphenyl-azobenzocrowns
PublikacjaMetal cations complexation and proton binding by 13- and 16-membered diphenyl-azobenzocrowns and diphenyl-hydroxyazobenzocrowns were studied in acetonitrile using spectroscopic methods: UV–vis spectroscopy, spectrofluorimetry, and 1H NMR spectroscopy. Phenyl moieties in benzene rings were found to affect binding strength alkali and alkaline earth metal cations and hydrogen ion, and affect tautomeric equilibrium of hydroxyazobenzocrowns....
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublikacjaUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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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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9-(Trichloroacetylimino)acridine monohydrate
PublikacjaThe title compound, alternatively called N-acridin-9(10H)-ylidene-2,2,2-trichloroacetamide monohydrate, C15H9Cl3N2O·H2O, crystallizes in space group P21/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)° relative to the ac plane, while adjacent molecules pack in a head-to-tail manner. Acridine and water molecules form columns along the b axis held in place by a network of hydrogen...
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Saccharides
PublikacjaSaccharides are widely distributed in nature as the major component of fruits and vegetables (primarily monosaccharides), milk and malt (mainly disaccharides), and grains (mostly polysaccharides). They are an important source of energy, structural material, as well as flavor and taste factors. Molecules of this class of compounds contain mainly carbon, hydrogen, and oxygen atoms; however, most natural saccha- rides do not have...
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Aluminum-TiO2 NPs Composites as Non-precious Catalysts for Efficient Electrochemical Generation of Hydrogen
PublikacjaIn this paper, we demonstrated, for the first time, aluminum titania nanoparticle (Al-TiO2 NP) composites with variable amounts of TiO2 NPs as nonprecious active catalysts for the electrochemical generation of H2. These materials were synthesized by mixing desired amounts of hydrogen titanate nanotubes (TNTs), fabricated here by a cost-effective approach at moderate hydrothermal conditions, with aluminum powder (purity 99.7%; size...
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In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublikacjaIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....