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Search results for: HYDROGEN EVOLUTION REACTION (HER)
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Synthesis and structural characterization of new cyclic siloxane with functionalized organic substituents
PublicationOcta(2-pyridyloxy)cyclotetrasiloxane was isolated as the product of the reaction between silicon disulfide and 2-hydroxypyridine. The new compound has been characterised by single crystal X-ray analysis, revealing a planar eight-membered ring with functionalized organic substituents on the silicon atoms.
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An Overview of Sport and the Future Smart Cities
PublicationOne of the main challenges for future cities is to strengthen the role of people and their activities. Therefore, sport provides an opportunity to engage in physical activity, connecting citizens to the city. The question of how sport influences the development of cities and the concept of future smart cities arises. The aim of this study is to examine the relationship between sport and the concept of smart cities by identifying...
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Influence of artificial thermal ageing on polyester-reinforced and polyvinyl chloride coated AF9032 technical fabric
PublicationThe presented work deals with the thermal ageing evaluation for polyester-reinforced and polyvinyl chloride coated fabrics. The architectural fabric AF9032 was exposed to artificial thermal ageing by subjecting the material samples to temperature levels of 80℃ and 90℃ for up to 12 weeks. The mechanical properties of the aged fabric have been separately described by the identified linear piecewise model (with assumption of the elastic...
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Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublicationThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
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Why the solvation water around proteins is more dense than bulk water
PublicationThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
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A convenient and efficient alfa-sulfenylation of carbonyl compounds
PublicationA method for alfa-sulfenylation of carbonyl compounds by a 5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinane-2-disulfanyl derivatives has been developed. Readily available reagents, mild reaction conditions, and excellent yields with high selectivity makes this method quite simple, convenient and practical.
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Metal (Mo, W, Ti) Carbide Catalysts: Synthesis and Application as Alternative Catalysts for Dry Reforming of Hydrocarbons—A Review
PublicationDry reforming of hydrocarbons (DRH) is a pro-environmental method for syngas production. It owes its pro-environmental character to the use of carbon dioxide, which is one of the main greenhouse gases. Currently used nickel catalysts on oxide supports suffer from rapid deactivation due to sintering of active metal particles or the deposition of carbon deposits blocking the flow of gases through the reaction tube. In this view,...
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TMSCL as a rate accelerating additive in acylations of amines with 5-(α- amino-α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
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Tmscl as a rate accelerating additive in acylations of amines with 5-(α-amino- α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
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Surprising Radiolytic Stability of 8‑Thiomethyladenine in an Aqueous Solution
Publication8-Thiomethyladenine (ASCH3), a potentially radiosensitizing modified nucleobase, has been synthesized in a reaction between 8-thioadenine and methyl iodide. Despite favorable dissociative electron attachment (DEA) characteristics, the radiolysis of an aqueous solution of ASCH3 with a dose of X-ray amounting to as much as 300 Gy leads to no effects. Nevertheless, crossed electron-molecule beam experiments in the gas phase on ASCH3...
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Sharp transitions in low-number quantum dots Bayesian magnetometry
PublicationWe consider Bayesian estimate of static magnetic field, characterized by a prior Gaussian probability distribution, in systems of a few electron quantum dot spins interacting with infinite temperature spin environment via hyperfine interaction. Sudden transitions among optimal states and measurements are observed. Usefulness of measuring occupation levels is shown for all times of the evolution, together with the role of entanglement...
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Contemporary issues in production and utilisation of the common urban areas
PublicationThis paper deals with issues in production and utilization of common urban areas within contemporary cities. Therefore, the main focus of it was put on the analysis of the possible models of development of spaces in the context of changing socio-economic environment of cities and evolution of their structure. This issue is discussed also in light of the changing definition of the contemporary public space, which no longer resembles...
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Monitoring of the Process of System Information Broadcasting in Time
PublicationOne of the problems of quantum physics is how a measurement turns quantum, noncopyable data, towards copyable classical knowledge. We use the quantum state discrimination in a central system model to show how its evolution leads to the broadcasting of the information, and how orthogonalization and decoherence factors allow us to monitor the distance of the state in question to the one perfectly broadcasting information, in any...
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Reducing income inequalities through government expenditures on education. Evidence for European countries Piotr PłatkowskiORCID Icon &Ewa LechmanORCID Icon
PublicationThis study examines the role of government spending on education in mitigating income inequalities. The study uses dynamic panel regressions to assess the evolution of education expenditures and income inequality in the sample of 30 European countries between 1995 and 2018. Our findings show that increases in government spending on education positively affect income inequality reduction. The impact was more substantial in case...
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Co-operation with local stakeholders: a crucial element of urban design
PublicationIn this article,the authors endeavour to illustratethe evolution of the role of local stakeholder in teaching urban planning by example of selected experiences in the Faculty of Architecture atGdańsk University of Technology(FA-GUT), Gdańsk, Poland. The timeframe covers the period from the political breakthrough in 1989 to the present. The background is composed of the social, economic and legal changes that have...
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Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures
PublicationDeep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity,...
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Extractive detoxification of feedstocks for the production of biofuels using new hydrophobic deep eutectic solvents – Experimental and theoretical studies
PublicationThe paper presents a synthesis of novel hydrophobic deep eutectic solvents (DESs) composed of natural components, which were used for removal of furfural (FF) and 5-hydroxymethylfurfural (HMF) from lignocellulosic hydrolysates. The main physicochemical properties of DESs were determined, followed by explanation of the DES formation mechanism, using 1H NMR, 13C NMR and FT-IR analysis and density functional theory (DFT). The most...
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublicationThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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Preparation and Characterization of Films Based on Disintegrated Bacterial Cellulose and Montmorillonite
PublicationThe food packaging materials from natural polymers including polysaccharides offer an ecologically important alternative to commonly used synthetic, non-biodegradable counterparts. The purpose of this work was to modify of bacterial cellulose (BC) leading to the improvement of its functional properties in terms of use as a food packaging material. Effects of disintegration of BC and addition of montmorillonite (MMT) on its water...
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Inteligentne systemy agentowe w systemach zdalnego nauczania
PublicationW pracy omówiono inteligentne systemy agentowe w systemach zdalnego nauczania. Po krótkim przedstawieniu ewolucji systemów zdalnego nauczania i ich wybranych zastosowań, scharakteryzowano inteligentne agenty edukacyjne. Omówiono wykorzystanie programowania genetycznego oraz algorytmów neuro-ewolucyjnych do implementacji oprogramowania tej klasy. Ponadto, nawiązano do modelu Map-Reduce, który efektywnie wspiera architekturę nowoczesnego...
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High temperature corrosion and corrosion protection of porous Ni22Cr alloys
PublicationIn this work corrosion kinetics of the porous IN625 alloy is studied in the temperature range of 700 °C – 800 °C in air and humidified hydrogen for up to 1000 hours. Moreover, an effective and simple method of reducing corrosion rates of porous alloys by the infiltration of the rare earths elements is shown. Modification by the yttrium containing precursor reduces the corrosion rate by a factor of 50 in air at 700 °C so that the...
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Nanotechnologies in Development of Structural Materials and Biomaterials
PublicationThe nanometric materials and technologies resulted in nanostructures are reviewed. The examples of nanomaterials are shown. The typical nanotechnologies, including plastic deformation, mechanical attrition, controlled detonation, hot plasma jet synthesis, laser vaporisation, CVD and PVD, mechanical milling, annealing, ultrasonic irradiation, nanolithography, electrocrystallisation, electrospinning, sol-gel method, cryogenic laser-enhanced...
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The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene
PublicationStructure of nitronorbornene derivative C14H12N2O2 synthesized in the reaction of cyclopentadiene with E-2-phenyl-1-cyano-1-nitroethene was determined by single crystal X-ray diffraction analysis. It was found that in analyzed molecule the nitro group is in endo-position whereas phenyl group have exo-ori-entation.
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Optymalizacja zasobów chmury obliczeniowej z wykorzystaniem inteligentnych agentów w zdalnym nauczaniu
PublicationRozprawa dotyczy optymalizacji zasobów chmury obliczeniowej, w której zastosowano inteligentne agenty w zdalnym nauczaniu. Zagadnienie jest istotne w edukacji, gdzie wykorzystuje się nowoczesne technologie, takie jak Internet Rzeczy, rozszerzoną i wirtualną rzeczywistość oraz deep learning w środowisku chmury obliczeniowej. Zagadnienie jest istotne również w sytuacji, gdy pandemia wymusza stosowanie zdalnego nauczania na dużą skalę...
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SEI Growth and Depth Profiling on ZFO Electrodes by Soft X-Ray Absorption Spectroscopy
PublicationZnFe2O4 (ZFO) Li-ion batteries (LIBs) represent a reliable, affordable, and safe energy storage technology for use in portable application. However, current LIB active materials (graphite, lithium/transition metal spinel or layered oxides, olivine structures) can store only limited energy since they rely on insertion storage based on solid-state host-guest interactions. Moreover, performances and durability of the cells are strongly...
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Immobilized biocatalysts - useful tool for industrial processes
PublicationThe main goal of biomaterials immobilization is the industrial re-use of them for many reaction cycles. However, application of this technolgoy for full commercialization requires more experiments in this field. In this study thermostable beta-galactosidases from Ptrococcus woesei and Meiothermus ruber were taken as model proteins immobilized in alginate gel.
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Convenient and Efficient Diastereoselective Preparation of Functionalized Z -Alkenyl Sulfides
PublicationWe have developed an efficient and convenient regio‐ and stereoselective reduction of the alkynyl sulfides with pinacolborane in the presence of copper(I) chloride to produce (Z)‐alkenyl sulfides in good and very good yields. The functionalized alkynyl sulfides are readily available based on the reaction of lithium acetylides with thiotosylates under mild conditions.
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Pochodne kwasu neopentylidenofosforoditiowego jako substraty do syntezy ugrupowania trisulfidowego
PublicationBadania przeprowadzone w Katedrze Chemii Organicznej Wydziału Chemicznego Politechniki Gdańskiej na przestrzeni ostatnich kilku lat, pokazały wszechstronność pochodnych kwasu neopentylidenofosforoditiowego [32] w syntezie symetrycznie i niesymetrycznie podstawionego ugrupowania disulfidowego. Wyniki powyższych badań doprowadziły do opracowania nowej strategii syntetycznej, umożliwiającej otrzymywanie...
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A Green Chemistry "environmentally friendly" approach to the synthesis of chloro-intermediates of ephedrine/pseudoephedrine
PublicationMethylamphetamine is an addictive stimulant drug that strongly activates certain systems in the brain. It is closely related chemically to amphetamine, but the central nervous system effects of methamphetamine are greater. There is much interest in methylamphetamine among scientists and therefore the synthesizes of methylamphetamine and its metabolites are carried out on a large scale in chemical laboratories. Globally, ephedrine...
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Combined numerical and experimental approach to determine numerical model of abdominal scaffold
PublicationA proper junction of the prosthesis and the abdominal wall is important in successful hernia repair. The number of tacks should be balanced to assure appropriate mesh fixation and not to induce post-operative pain. Numerical simulations help to find this balance. The study is aimed at creating a proper numerical model of a knitted surgical mesh subjected to boundary conditions and load occurring in the abdominal cavity. Continuous,...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublicationAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Thermal-Resistant Polyurethane/Nanoclay Powder Coatings: Degradation Kinetics Study
PublicationIn the present study, thermal degradation kinetics of polyurethane (PU) powder coatings reinforced with organo-modified montmorillonite (OMMT) was investigated. PU nanocomposites were prepared in different concentrations of 1, 3, and 5 wt.% of OMMT via the extrusion method. The microstructure of the nanocomposites was observed by scanning electron microscope (SEM) illustrating uniform dispersion of OMMT nano-clay platelets in the...
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Crystal Structure of N-(2-Benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide
PublicationThe crystal structure of N-(2-benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide indicates that the compound crystallizes in the monoclinic C2/c space group with eight molecules in the unit cell. The heteroatoms from the amide group form a chain of intermolecular N-H ··· O hydrogen bonds propagating along the b axis. The carbonyl group from the benzoyl substituent participates in short contacts with two H-atoms from the ethyl or...
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Studies on the utilization of post-distillation liquid from Solvay process to carbon dioxide capture and storage
PublicationIn this work, a method of precipitated calcium carbonate production from the post-distillation liquid created in the Solvay process and waste carbon dioxide was proposed and investigated. Precipitation was carried out in a model solution of calcium chloride containing ammonia at various molar ratios in relation to Ca2+ ions, while gaseous carbon dioxide was supplied to the reactor as a pure gas or as a mixture with air. It was...
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A New Approach to Chemical Recycling of Polyamide 6.6 and Synthesis of Polyurethanes with Recovered Intermediates
PublicationA new efficient method for the chemical decomposition of polyamide 6.6 by the glycolysis and amino-glycolysis processes was proposed. The glycolysis was conducted using the mass excess of ethylene glycol (EG) as a decomposing agent in the presence of a catalyst. Also, a mixture of EG and triethylenetetramine was used as another decomposing agent in the amino- glycolysis process. The described process of decomposition did not...
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Optical properties of boron-doped nanocrystalline diamond films studied by spectroscopic ellipsometry
PublicationThe optical properties of boron-doped nanocrystalline diamond films, coated using Microwave Plasma Enhanced Chemical Vapour Deposition (μPE CVD) system, were analyzed by spectroscopic ellipsometry. Diamond films were deposited on silicon substrates. The ellipsometry data (refractive index (n(λ)), extinction coefficient (k(λ)) were modeled using dedicated software. Evolution of the optical structure with boron doping was observed...
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Investigation on water infiltration and water content changes in a large-scale experimental test dike
PublicationThe paper presents result of series of experiments made within the DREDGDIKES project, performed on a test dike built from composite soil. The composite is produced by mixing fly ash (by-product of energetics) with dredged material (sand) taken from the mouth of The Vistula river. The test dike, located near Gdansk in Poland, was subjected to hydraulic load in several flooding time scenarios and the unsaturated unsteady flow was...
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From flow to jamming: Lattice Gas Automaton simulations in granular materials
PublicationWe introduce the first extension of a Lattice Gas Automaton (LGA) model to accurately replicate observed emergent phenomena in granular materials with a special focus on previously unexplored jamming transitions by incorporating gravitational effects, energy dissipation in particle collisions, and wall friction. We successfully reproduce flow rate evolution, density wave formation, and jamming transition observed in experiments....
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Numerical investigations on early indicators of fracture in concrete at meso-scale.
PublicationFracture is a major reason of the global failure of concretes. The understanding of fracture is important to ensure the safety of structures and to optimize the material behaviour. In particular an early prediction possibility of fracture in concretes is of major importance. In this paper, concrete fracture under bending was numerically analysed using the Discrete Element Method (DEM). The real mesoscopic structure of a concrete...
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A novel (Ti/Ce)UiO-X MOFs@TiO2 heterojunction for enhanced photocatalytic performance: Boosting via Ce4+/Ce3+ and Ti4+/Ti3+ redox mediators
PublicationTitanium-substituted cerium-oxo-based UiO MOFs with terephthalate linkers modified by various groups (–Br, –NH2, –NO2) or their derivatives (N-heterocyclic or biphenyl groups) were combined with titanium dioxide in a multistep route to obtain a core-shell-like architecture. DFT simulations showed that Ce- and bimetallic Ti/Ce- MOFs exhibited different charge compensation. Extended characterization revealed the formation of heterojunctions between...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1: 4, 1: 6 and 1: 8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Storage of High-Strength Steel Flux-Cored Welding Wires in Urbanized Areas
PublicationThe condition of the consumables is a key factor determining the waste reduction in the welding processes and the quality of the welded joint. The paper presents the results of tests of four types of fux-cored wires dedicated for welding high-strength steels, stored for 1 month and 6 months in Poland in two urbanized areas: in a large seaside city (Gdańsk) and in Warsaw, located in the center of the country. The wires were subjected...
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Influence of Annealing Atmospheres on Photoelectrochemical Activity of TiO2 Nanotubes Modified with AuCu Nanoparticles
PublicationIn this article, we studied the annealing process of AuCu layers deposited on TiO2 nanotubes (NTs) conducted in various atmospheres such as air, vacuum, argon, and hydrogen in order to obtain materials active in both visible and UV–vis ranges. The material fabrication route covers the electrochemical anodization of a Ti plate, followed by thin AuCu film magnetron sputtering and further thermal treatment. Scanning electron microscopy...
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Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublicationHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...
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Enhanced boron doping of thin diamond films grown in deuterium-rich microwave plasma
PublicationThe boron-doped diamond thin films were growth in deuterium rich microwave plasma in CVD process. The mechanism of influence of plasma composition on boron doping level was studied using optical emission spectroscopy. Deuterium rich plasma results in an increased dissociation of B2H6 precursor and intense boron-radicals' production. In consequence, a higher doping level of diamond films was observed by means of Laser Induced Breakdown...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1:4, 1:6 and 1:8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublicationGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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Study of the Anti-Staphylococcal Potential of Honeys Produced in Northern Poland
PublicationThe antimicrobial activity of 144 samples of honeys including 95 products from apiaries located in Northern Poland was evaluated. The antibacterial activity of those natural products, their thermal stability, and activity in the presence of catalase was investigated by microdilution assays in titration plates. The MTT assay was performed for the determination of anti-biofilm activity. Spectrophotometric assays were used for the...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublicationOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...