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Search results for: hydrogen evolution reaction
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4-[(tert-Butyldimethylsilyl)oxy]-6-methoxy-7-methyl-5-(oxiran-2-ylmethyl)-2-benzofuran-3(1H)-one
PublicationThe title compound, C19H28O5Si, was obtained in the reaction of 1,3-dihydro-4-[(tert-butyldimethylsilyl)oxy]-6-methoxy-7-methyl-3-oxo-5-(prop-2-enyl)isobenzofuran with meta-chloroperbenzoic acid. This reaction is one of the stages of the total synthesis of mycophenolic acid, which we attempted to modify. The title compound forms crystals with only weak intermolecular interactions. The strongest stacking interaction is found between...
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The structure of novel polyurethanes containing synthetic poly[(R,S)-3-hydroxybutyrate]
PublicationThe aim of this study was to estimate the structure of new polyurethanes with the potential to be used in medicine. Atactic poly[(R,S)-3-hydroxybutyrate], obtained via a ring-opening polymerization, and polycaprolactonediol or polyoxytetramethylenediol were used to built the soft segments. 4,4'-methylene dicyclohexyl diisocyanate and 1,4-butanediol were the components to form hard segments. Polyurethanes with low-molecular weight...
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Thermoelectric properties of bismuth-antimony-telluride alloys obtained by reduction of oxide reagents
PublicationThe BieSbeTe alloys with different Bi/Sb/Te ratio were fabricated by an innovative method. For that purpose the oxide reagents were melted at high temperature, then quenched to form pellets, milled to a powder and finally reduced in hydrogen at various temperatures. Complex structures consisting of connected thin layers forming a continuous path between nano- and micrometer size grains have been obtained. The electrical conductivity,...
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Effect of electrode waterproof coating on quality of underwater wet welded joints
PublicationIn this paper, the effects of different hydrophobic coatings on the surface of covered electrodes on the quality of wet welded carbon steel joints were discussed. Commonly available hydrophobic substances used in industrial applications were selected for the research. The aim of using waterproof coatings was to check the possibility to decreasing the susceptibility of highstrength low-alloy S460N steel to cold cracking. During...
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Opracowanie dogodnej metody tworzenia wiązań S-C o hybrydyzacji atomu węgla sp oraz sp2
PublicationBadania przeprowadzone w Katedrze Chemii Organicznej Wydziału Chemicznego Politechniki Gdańskiej na przestrzeni ostatnich kilku lat, pokazały wszechstronność pochodnych kwasu neopentylidenofosforoditiowego. Dotychczasowe wyniki badań doprowadziły mnie do opracowania nowych strategii syntetycznych, umożliwiających otrzymywanie związków zawierających wiązanie C-S o hybrydyzacji atomu węgla sp oraz sp2. Analizując wyniki badań opracowałam...
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Optymalizacja doboru prawa konstytutywnego membrany o strukturze plecionej
PublicationCelem niniejszej dysertacji jest opracowanie zagadnienia optymalizacyjnego pozwalającego dobrać model konstytutywny opisujący mechaniczne zachowanie membrany technicznej. Do analizy wybrano membrany plecione, stosowane w medycynie, tzw. siatki chirurgiczne. W celu wykonania identyfikacji praw konstytutywnych, wykonano dwuosiowe rozciąganie próbek materiałów, otrzymując wskazanie na nieliniowe anizotropowe zachowanie materiałów....
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In-Out Surface Modification of Halloysite Nanotubes (HNTs) for Excellent Cure of Epoxy: Chemistry and Kinetics Modeling
PublicationIn-out surface modification of halloysite nanotubes (HNTs) has been successfully performed by taking advantage of 8-hydroxyquinolines in the lumen of HNTs and precisely synthesized aniline oligomers (AO) of different lengths (tri- and pentamer) anchored on the external surface of the HNTs. Several analyses, including FTIR, H-NMR, TGA, UV-visible spectroscopy, and SEM, were used to establish the nature of the HNTs’ surface engineering....
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Increased concentration of Taq DNA polymerase as a solution for GC-rich templates from clinical and environmental samples
PublicationDNA polymerase is an enzyme which plays crucial role in replication and DNA repair. It found application in PCR (polymerase chain reaction) where catalyses process of in vitro DNA synthesis. To meet the demands posed by mod- ern diagnostic, molecular biology or genetic engineering it is necessary to improve DNA polymerases to obtain new or better features useful in these fields. So far implemented modifications in majority are...
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GENERAL DYNAMIC PROJECTING OF MAXWELL EQUATIONS
PublicationA complete – system of Maxwell equations is splitting into independent subsystems by means of a special dynamic projecting technique. The technique relies upon a direct link between field components that determine correspondent subspaces. The explicit form of links and corresponding subspace evolution equations are obtained in conditions of certain symmetry, it is illustrated by examples of spherical and quasi-one-dimensional waves.
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Wykorzystanie wiązań niekowalencyjnych do otrzymywania jedno- i dwuskładnikowych struktur supramolekularnych
PublicationPrzedstawiona rozprawa doktorska dotyczy badań nad wykorzystaniem oddziaływań międzycząsteczkowych do projektowania i syntezy uporządkowanych struktur krystalicznych, ze szczególnym uwzględnieniem wiązań halogenowych i chalkogenowych jako stosunkowo nowych i bardzo atrakcyjnych z punktu widzenia inżynierii kryształu. Praca podzielona jest na kilka części. Pierwsza z nich stanowi wstęp teoretyczny obejmujący opis, założenia oraz...
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Influence of the boron doping level on the electrochemical oxidation of raw landfill leachates: advanced pre-treatment prior to the biological nitrogen removal
PublicationThe electrochemical oxidative treatment of landfill leachates (LLs) containing high amounts of ammonia nitrogen and organic matter was used as a promising method, prior to biological processes, to achieve the final effluent quality that would be acceptable by current regulations. The deposited boron-doped diamond electrodes (BDDs) with different boron doping concentrations (10000, 5000 and 500 ppm of B) were applied as anodes....
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Hydrothermal modification of TiO2 nanotubes in water and alkali metal electrolytes (LiNO3, NaNO3, KNO3) – Direct evidence for photocatalytic activity enhancement
PublicationThe influence of hydrothermal annealing (HA) of TiO2 nanotubes (TiO2-NTs) in various baths (H2O, LiNO3, NaNO3, KNO3 performed for 4 h, 24 h, 64 h), on their photocatalytic and photoelectrocatalytic properties, was studied. The use of electrolytes was to enable the monitoring of photoactivity changes as a result of the expected impact on the population of hydroxyl groups on the surface. The assumption turned out to be correct and...
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The Effect of Laser Re-Solidification on Microstructure and Photo-Electrochemical Properties of Fe-Decorated TiO2 Nanotubes
PublicationFossil fuels became increasingly unpleasant energy source due to their negative impact on the environment; thus, attractiveness of renewable, and especially solar energy, is growing worldwide. Among others, the research is focused on smart combination of simple compounds towards formation of the photoactive materials. Following that, our work concerns the optimized manipulation of laser light coupled with the iron sputtering to...
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A natural deep eutectic solvent - protonated L-proline-xylitol - based stationary phase for gas chromatography
PublicationThe paper presents a new kind of stationary phase for gas chromatography based on deep eutectic solvents (DES) in the form of a mixture of L-proline (protonated with hydrochloric acid) as a hydrogen bond acceptor (HBA) and xylitol as a hydrogen bond donor (HBD) in a molar ratio of HBA:HBD 5:1. DES immobilized on a silanized chromatographic support was tested by gas chromatography (GC) in order to determine its resolving power for...
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublicationThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Standing Waves and Acoustic Heating (or Cooling) in Resonators Filled with Chemically Reacting Gas
PublicationStanding waves and acoustic heating in a one-dimensional resonator filled with chemically reacting gas, is the subject of investigation. The chemical reaction of A ! B type, which takes place in a gas, may be reversible or not. Governing equations for the sound and entropy mode which is generated in the field of sound are derived by use of a special mathematical method. Under some conditions, sound waves propagating in opposite...
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Microwave-assisted synthesis of zinc derivatives of potato starch
PublicationZincatated potato starch was prepared in a solid-state, microwave-assisted reaction using generated in situ sodium tetrahydroxozincate [Na2Zn(OH)4]. For comparison, zincatation of starch was also carriedout on convectional heating. Depending on the irradiation conditions, the products of either mono- or crosslinking esterification were formed. Higher power applied at shorter exposition offered products ofmonoesterification, and...
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Evolving gene regulatory networks controlling foraging strategies of prey and predators in an artificial ecosystem
PublicationCo-evolution of predators and prey is an example of an evolutionary arms race, leading in nature to selective pressures in positive feedback. We introduce here an artificial life ecosystem in which such positive feedback can emerge. This ecosystem consists of a 2-dimensional liquid environment and animats controlled by evolving artificial gene regulatory networks encoded in linear genomes. The genes in the genome encode chemical...
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Arterial cannula shape optimization by means of the rotational firefly algorithm
PublicationThe article presents global optimization results of arterial cannula shapes by means of the newly modified firefly algorithm. The search for the optimal arterial cannula shape is necessary in order to minimize losses and prepare the flow that leaves the circulatory support system of a ventricle (i.e. blood pump) before it reaches the heart. A modification of the standard firefly algorithm, the so-called rotational firefly algorithm,...
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Physical Chemistry_GTM_20_21_winter
e-Learning CoursesThe aim of the subject is to familarize the student with fundamental physico-chemical laws in chemical thermodynamics, phase equilibria and chemical equilibria together with ability of solving relevant text problems involving calculations, as well as teachnig him/her effective and safe carrying out simple experiments/measurements of physico-chemical quantities and proper presentation and interpretation of their results. LECTURES Chemical...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Shaping the spatial structures of post-socialist cities
PublicationThis paper deals with issues and problems associated with transformation of spatial structures of post-socialist cities. The special attention is paid to the cases of Polish cities and towns and the analysis of their evolution – from the “post-communist structures” to the “cities in the age of globalization”. In the light of this the factors influencing the spatial transformation of these are analyzed. The paper is concluded with...
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Creating a radiological database for automatic liver segmentation using artificial intelligence.
PublicationImaging in medicine is an irreplaceable stage in the diagnosis and treatment of cancer. The subsequent therapeutic effect depends on the quality of the imaging tests performed. In recent years we have been observing the evolution of 2D to 3D imaging for many medical fields, including oncological surgery. The aim of the study is to present a method of selection of radiological imaging tests for learning neural networks.
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Discrete Modelling of Micro-structural Phenomena in Granular Shear Zones
PublicationThe micro-structure evolution in shear zones in cohesionless sand for quasi-static problems was analyzed with a discrete element method (DEM). The passive sand failure for a very rought retaining wall undergoing horizontal translation towards the sand backfill was discussed. To simulate the behaviour of sand, the spherical discrete element model was used with elements in the form of rigid spheres with contacts moments.
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Mobilność niemobilnego księgozbioru – przypadek Pomorskiej Biblioteki Cyfrowej
PublicationCelem artykułu jest zapoznanie czytelnika z zagadnieniem bibliotek cyfrowych oraz przybliżenie struktury i działalności Pomorskiej Biblioteki Cyfrowej [dalej: PBC]. W drugiej części artykułu ukazano rolę PBC w udostępnianiu cennych kolekcji bibliotecznych – w oparciu o dane statystyczne, ankietę przeprowadzoną wśród użytkowników PBC oraz zapytania kierowane poprzez formularz kontaktowy. Artykuł przedstawia także działania promujące...
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Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
PublicationThe cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals...
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Structure and thermoelectric properties of Te/Ag/Ge/Sb (TAGS) materials obtained by reduction of melted oxide substrates
PublicationThe Ge0.77Ag0.1Sb0.13Te1alloy was fabricated by a novel two step route. For that purpose firstly the oxide reagents were melted at high temperature and quenched into pellets. After that pellets were milled to the powder and then reduced in hydrogen at various temperatures and for various periods of time. Energy dispersive X-ray analysis indicated the possibility of successful fabrication of stoichiometric thermoelectric materials...
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Degradation of bisphenol S – a contaminant of emerging concern - by synergistic ozone and percarbonate based AOP
PublicationDegradation of bisphenol S was studied using ozone activated by sodium percarbonate and the effectiveness of optimized process was compared with the peroxone process. The influence of several factors including sodium percarbonate concentration, ozone dose, pH, and water matrix were investigated. A synergetic coefficient of 3.84 was achieved for the combination of sodium percarbonate and ozone, confirming the effectiveness of this...
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Decahedral-shaped anatase titania photocatalyst particles: Synthesis in a newly developed coaxial-flow gas-phase reactor
PublicationDecahedral-shaped anatase particles (DAPs) were prepared by a gas-phase process consisting of titanium(IV) chloride oxidation. The use of a coaxial-flow gas-phase reactor resulted in high reaction yield (ca. 70%) and good reproducibility of DAPs production. The influence of controlled and resultant preparation parameters on the process course and on DAPs properties (such as specific surface area, particle size and particle morphology)...
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Oxygen sensitivity of hydrogenesis’ and methanogenesis’
PublicationIn the chapter, results of dark fermentation of sour cabbage in presence of oxygen with concentrations 2-9% are presented. The presence of oxygen in such concentration inhibits methanogesis (and methane production more than 2 times) and increases hydrogen production 6 times. It also shortens the fermentation process above 40%.
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Two complementary approaches for the synthesis and isolation of stable phosphanylphosphaalkenes
PublicationPhospha-Wittig (phosphanylphosphinidene titanium(IV) complex) and phospha-Peterson (lithiated diphosphane) reactions were used to obtain phosphanylphosphaalkenes with the general formula XYC=P-PtBu2 (X = alkyl, aryl group or H; Y = alkyl or aryl group). Therefore, two series of reactions with different ketones and aldehydes were performed. An examination revealed that the two methods are complementary. For smaller carbonyl compounds,...
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Microwave radiation in the synthesis of urethane prepolymers
PublicationThis paper describes the use of microwave radiation in the synthesis of urethane prepolymers in bulk (without solvent). The prepolymers were synthesized using 1,6-hexamethylene diisocyanate (HDI) and poly (ε-caprolactone) diol (PCL) at a molar ratio of 4:1. The reaction was carried out without a catalyst in the reactor with a conventional heating system (oil bath) or in the microwave reactor (MW Reactor NOVA 09) at temperatures...
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First highly effective non-catalytic nitrobenzene reduction in UV/dithionite system with aniline production – Advanced reduction process (ARP) approach
PublicationAdvanced reduction processes (ARPs) are currently intensively investigated as an alternative to Advanced Oxidation Processes (AOPs). The study presents efficient reduction of nitrobenzene under non-catalytic conditions through reaction with free radicals having reductive potential. Effective conversion of nitrobenzene in a model wastewater solution, was obtained for sodium dithionite (SDT)/ dithionite (DTN). The developed process...
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublicationHerein, we present a simple synthesis of mixed-valent phosphinophosphoranes bearing three- and five-coordinate phosphorus centers. Compounds with phosphorus–phosphorus bonds were synthesized via a reaction of lithium phosphides RR′PLi with cat2PCl (cat = catecholate), whereas derivatives with methylene-linked phosphorus centers were obtained via a reaction of phosphanylmethanides RR′CH2Li with cat2PCl. The presence of accessible...
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Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublicationThe CuII ion in the title complex, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by a 3-D network of N-H---Br and CH---Br hydrogen bonds.
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Transition-Metal-Promoted Oxidative Cyclization To Give 1,2,4-Trisubstituted Carbazole Scaffolds
PublicationHerein, we describe the synthesis of a 1,2,4-trisubstituted carbazole core from 5-(1H-indol-3-yl)-3-oxopentanoic acid esters or amides. For oxidative cyclization, we tested two different approaches. First, we used manganese triacetate as a conventional moderate oxidizer to ensure the radical course of the reaction. Second, we examined the use of a more complex oxidizing agent I2/Me(OTf)3. In both cases, formation of a fused-ring...
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Unusual streaming in chemically reacting gases
PublicationNonlinear stimulation of the vorticity mode caused by losses in the momentum of sound in the chemically reacting gas, is considered. The instantaneous dynamic equation which describes the nonlinear generation of the vorticity mode, is derived. It includes a quadratic nonlinear acoustic source. Both periodic and aperiodic sound may be considered as the origin of the vorticity flow. In the non-equilibrium regime of the chemical reaction,...
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Cobalt(II) and Cobalt(III) Tri‐tert‐butoxysilanethiolates. Synthesis, Properties, Crystal and Molecular Structures of [Co{μ‐SSi(OBut)3}{SSi(OBut)3}(NH3)]2 and [Co{SSi(OBut)3}2(NH3)4][SSi(OBut)3] Complexes
PublicationThe heteroleptic neutral tri‐tert‐butoxysilanethiolate of cobalt(II) incorporating ammonia as additional ligand (1) has been prepared by the reaction of a cobalt(II) ammine complex with tri‐tert‐butoxysilanethiol in water. Complex 1, dissolved in hexane, undergoes oxidation in an ammonia saturated atmosphere to the ionic cobalt(III) compound 2. Molecular and...
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General solution of quantum mechanical equations of motion with time-dependent Hamiltonians: A Lie algebraic approach
PublicationThe unitary operators U(t), describing the quantum time evolution of systems with a time-dependent Hamiltonian, can be constructed in an explicit manner using the method of time-dependent invariants. We clarify the role of Lie-algebraic techniques in this context and elaborate the theory for SU(2) and SU(1,1). In these cases we give explicit formulae for obtaining general solutions from special ones. We show that the constructions...
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An isogeometric finite element formulation for boundary and shell viscoelasticity based on a multiplicative surface deformation split
PublicationThis work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system,which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff–Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface...
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Extinction Event Concepts for the Evolutionary Algorithms
PublicationThe main goal of this present paper is to propose a structure for a tool helping to determine how algorithm would react in a real live application, by checking it's adaptive capabilities in an extreme situation. Also a different idea of an additional genetic operator is being presented. As Genetic Algorithms are directly inspired by evolution, extinction events, which are elementary in our planet's development history, became...
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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First deep eutectic solvent-based (DES) stationary phase for gas chromatography and future perspectives for DES application in separation techniques
PublicationThe paper presents the first application of deep eutectic solvents (DES) as stationary phases for gas chromatography. DES obtained by mixing tetrabutylammonium chloride (TBAC) as a hydrogen bond acceptor (HBA) with heptadecanoic acid being a hydrogen bond donor (HBD) in a mole ratio of HBA:HBD equal to 1:2 was characterized by its ability to separate volatile organic compounds (VOCs). The Rohrschneider – McReynolds constants determined...
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Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV
PublicationSpectroscopic studies of collisions between He+ and He++ ions with H2 gas target have been performed in the 200–600nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1keV (2keV for He++) were determined.
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Napawanie elementów wymiennika ciepła austenitycznym drutem proszkowym
PublicationNa potrzeby przemysłu energetycznego produkuje się wymienniki ciepła przeznaczone do eksploatacji w warunkach agresywnych chemicznie, np. w środowisku siarkowodoru. Z przyczyn ekonomicznych często stosuje się w takim przypadku materiały bimetaliczne wytwarzane procesami napawania. W artykule przedstawiono wyniki badań nieniszczących, pomiarów twardości, analizy składu chemicznego, pomiarów ferrytu delta oraz badań makro- i mikroskopowych...
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Parameter values for topological chaos in the reduced Chialvo model
Open Research DataThe following dataset is connected with a map-based neuron model introduced by D. Chialvo (Chaos, Solitons & Fractals, 5 (3-4) 1995). The reduced version of this model is a one dimensional discrete system which describes the evolution of the membrane voltage when the value of the second variable, the recovery variable, is fixed. We have recently...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublicationThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...