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Wyniki wyszukiwania dla: iron-phosphate glasses
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Electrodes consisting of PEDOT modified by Prussian Blue analogues deposited onto titania nanotubes – Their highly improved capacitance
PublikacjaIn this work we present the outstanding energy storage of prepared inorganic-organic heterojunction where hydrogenated ordered titania nanotubes (H-TiO2NT) were modified by the hybrid made of poly(3,4-ethylenedioxythiophene) (pEDOT) and iron hexacyanoferrate centres (Fehcf, Prussian Blue). The material TiO2NT/pEDOT:Fechf was obtained electrochemically by means of: anodization, hydrogenation and finally, electropolymerization of...
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High-temperature Corrosion of ~ 30 Pct Porous FeCr Stainless Steels in Air: Long-Term Evaluation Up to Breakaway
PublikacjaIn this work, a long-term (up to 6000 hours) corrosion evaluation of three porous (~ 30 pct of initial porosity) ferritic iron-chromium alloys with different Cr contents (20, 22, and 27 wt pct of Cr) was carried out at 600 C, 700 C, 800 C, and 900 C in air. Mass gain measurements and SEM analyses revealed that at temperatures above 600 C, all alloys exhibit breakaway corrosion, whereas at 600 C, none of the alloys were heavily...
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Escherichia coli Strains with Virulent Factors Typical for Uropathogens were Isolated from Sinuses from Patients with Chronic Rhinosinusitis—Case Report
PublikacjaEscherichia coli were isolated from three patients with chronic rhinosinusitis (CRS) by intraoperative sinus tissue biopsy. Taking into account the unusual replicative niche and previous treatment failures, it was decided to focus on the virulence and drug resistance of these bacteria. The strains turned out to be multi-sensitive, but the rich virulence factors profile of bacteria typical for phylogenetic group B2 deserved attention....
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Biomarkers of alcohol consumption in body fluids - possibilities and limitations of application in toxicological analysis
PublikacjaEthyl alcohol is the most popular legal drug, but its excessive consumption causes social problems. Despite many public campaigns against alcohol use, car accidents, instances of aggressive behaviour, sexual assaults and deterioration in labor productivity caused by inebriated people is still commonplace. Fast and easy diagnosis of alcohol consumption is required in order to introduce proper and effective therapy, and is crucial...
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublikacjaFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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Development of a liquid chromatography–tandem mass spectrometryprocedure for determination of endocrine disrupting compounds infish from Mediterranean rivers
PublikacjaA new, sensitive and rapid method based on QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe)approach followed by ultra high performance liquid chromatography coupled with tandem mass spec-trometry (UHPLC–MS/MS) was developed for the determination of nineteen endocrine disruptors (EDCs)and related compounds belonging to different classes in various fish species. Matrix effect on the analyti-cal performance was evaluated,...
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Closing the loop: Upcycling secondary waste materials into nanoarchitectured carbon composites for the electrochemical degradation of pharmaceuticals
PublikacjaIn this study, we demonstrated the application of electrochemical oxidation as a safer and cleaner technology for minimizing the impact of pharmaceuticals in wastewaters, simultaneously mediated by upcycled secondary waste materials (SWMs)-derived electrodes, to further reduce their environmental impact. The modularity, scalability, ease of operation and reliability make electrochemical oxidation an ideal process for the destruction...
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Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties
PublikacjaAminotransferases catalyze reversibly the transamination reaction by a ping-pong bi-bi mechanism with pyridoxal 5′-phosphate (PLP) as a cofactor. Various aminotransferases acting on a range of substrates have been reported. Aromatic transaminases are able to catalyze the transamination reaction with both aromatic and acidic substrates. Two aminotransferases from C. albicans, Aro8p and Aro9p, have been identified recently, exhibiting...
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublikacjaG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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Polyurethane Composite Scaffolds Modified with the Mixture of Gelatin and Hydroxyapatite Characterized by Improved Calcium Deposition
PublikacjaThe skeleton is a crucial element of the motion system in the human body, whose main function is to support and protect the soft tissues. Furthermore, the elements of the skeleton act as a storage place for minerals and participate in the production of red blood cells. The bone tissue includes the craniomaxillofacial bones, ribs, and spine. There are abundant reports in the literature indicating that the amount of treatments related...
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Characterization of glucoamylase immobilized on magnetic nanoparticles
PublikacjaMagnetic support was prepared by precipitation from an alkaline solution of divalent and trivalent iron ions and subsequently was modified with 3-aminopropyltriethoxysilane. FTIR analysis showed existence of a new Si-O-Fe bond in obtained particles. Scanning electronic microscopy images shows that the nanoparticles of all samples have particle size below 30 nm. Glucoamylase AMG 300L was immobilized onto the modified magnetic support...
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Mechanical and structural behavior of high-strength low-alloy steel pad welded by underwater wet welding conditions
PublikacjaThe aim of the paper was to determine the metallurgical and mechanical behaviors of a high-strength low-alloy (HSLA) steel pad-welded specimen used in the structures of industrial and naval parts. Then to predict the metallurgical consequences (nature of the phases present) and the mechanical properties (hardness and impact strength) of the pad-welded steel obtained by underwater wet welding with different heat input values. The...
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Corrosion process monitoring by AFM higher harmonic imaging
PublikacjaThe atomic force microscope (AFM) was invented in 1986 as an alternative to the scanning tunnelling microscope, which cannot be used in studies of non-conductive materials. Today the AFM is a powerful, versatile and fundamental tool for visualizing and studying the morphology of material surfaces. Moreover, additional information for some materials can be recovered by analysing the AFM's higher cantilever modes when the cantilever...
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Origin and fate of nanoparticles in marine water – Preliminary results
PublikacjaThe number, morphology and elemental composition of nanoparticles (<100 nm) in marine water was investigated using Variable Pressure Scanning Electron Microscopy (VP-SEM) and Energy-dispersive X-ray spectroscopy (EDS). Preliminary research conducted in the Baltic Sea showed that the number of nanoparticles in seawater varied from undetectable to 380 (x102) cm-3. Wind mixing and density barriers (thermocline) had a significant impact...
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Effect of Particle Size of Fly Ash Microspheres (FAMs) on the Selected Properties of Concrete
PublikacjaThis paper presents the investigations of selected properties of concrete containing two fractions of fly ash microspheres (FAMs) with grain size up to 200 μm and up to 500 μm. Concrete mixtures with ordinary Portland cement and three substitution rates of cement by FAMs, 1.3%, 2.0%, and 2.6%, were investigated. For all concrete mixes, the constant water–binder ratio (w/b) equal to 0.50 was used. The research program included the...
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Molecular and structural basis of inner core lipopolysaccharide alterations in Escherichia coli: incorporation of glucuronic acid and phosphoethanolamine in the heptose region.
PublikacjaIt is well established that lipopolysaccharide (LPS) often carries nonstoichiometric substitutions in lipid A and in the inner core. In this work, the molecular basis of inner core alterations and their physiological significance are addressed. A new inner core modification of LPS is described, which arises due to the addition of glucuronic acid on the third heptose with a concomitant loss of phosphate on the second heptose. This...
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Influence of Ultrasound on the Characteristics of CaP Coatings Generated Via the Micro-arc Oxidation Process in Relation to Biomedical Engineering
PublikacjaOver the past decade, bone tissue engineering has been at the core of attention because of an increasing number of implant surgeries. The purpose of this study was to obtain coatings on titanium (Ti) implants with improved properties in terms of biomedical applications and to investigate the effect of ultrasound (US) on these properties during the micro-arc oxidation (MAO) process. The influence of various process parameters, such...
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Simple synthesis route for fabrication of protective photo‐crosslinked poly(zwitterionic) membranes for application in non‐enzymatic glucose sensing
PublikacjaThis work focuses on the fabrication of non-enzymatic glucose sensing materials based on laser-formed Au nanoparticles embedded in Ti-textured substrates. Those materials possess good catalytic activity toward glucose oxidation in 0.1 × phosphate buffered saline as well as resistance to some interferants, such as ascorbic acid, urea, and glycine. The electrodes are further coated with three different polymers, that is, Nafion,...
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Simultaneous opto-electrochemical monitoring of carbamazepine and its electro-oxidation by-products in wastewater
PublikacjaThe growing human impact on aquatic environments, due to the extensive use of pharmaceuticals and the release of persistent pollutants, makes it necessary to implement new widespread methods for the characterisation and quantification of such contaminants and relative degradation products. Carbamazepine, 5H-dibenzo[b,f]azepine-5-carboxamide, (CBZ) is a widely used anti-epileptic drug, characterised by its limited removal by conventional...
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Barium boron aluminum silicate glass system for solid state optical gas sensors
PublikacjaRecent increasing demand for new eco-friendly materials and for low cost fabrication process for use in optical sensors field, raise concern about alternative materials for this application. We have designed two glass-ceramics compositions from the quaternary ROAl2O3- SiO2-B2O3(R=Ba) alkali-earth aluminum silicate system, labeled B72 and B69, with high refractive index (>1.6), large values of Abbe number (94.0 and 53.0, respectively),...
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Sensorless Field Oriented Control of Five Phase Induction Motor with Third Harmonic Injection
PublikacjaIn this paper, a sensorless field oriented control system of five-phase induction machine with the 3rd harmonic rotor flux is presented. Two vector models, α1-β1 and α3-β3, were transformed into d1-q1, d3-q3 models oriented in rotating frames, which correspond to the 1st and 3rd harmonic plane respectively. The authors proposed the linearization of the model in d-q coordinate frames by introducing a new variable “x” which is proportional...
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Occurrence and properties of sulphate reducing bacteria in groundwater in Gdańsk region; Selected methods of elimination.Bakterie redukujące siarczany na ujęciach wód podziemnych w regionie gdańskim.
PublikacjaGdańsk region is situated in the area with good hydrogeological conditions. The ground-water designed for drinking purposes is taken mainly from the Quaternary and addition-ally from Cretaceous aquifers. The urban development and intensive take off have caused the increase of water exploitation and as a consequence of the changes of hydrogeological conditions the deterioration of chemical and bacteriological quality of water has...
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Load path sensitivity and multiaxial fatigue life prediction of metals under non-proportional loadings
PublikacjaEngineering components often operate under complex loadings, in which the variable amplitude multiaxial stresses are raised by geometric discontinuities including holes, grooves, fillets and shoulders, etc. Besides, the non-proportional loading will lead to the rotation of maximum principal stress/strain and additional fatigue damage of structural elements in service. Consequently, the multiaxial and non-proportional loading have...
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Raman investigation of the patina layers on Hungarian copper ingots from a fifteenth century shipwreck
PublikacjaWe report results of the patina study of underwater archeological finding ofmedieval copper objects performed by means of the Raman and complementary spectroscopic techniques. The objects were found submerged in the sea as cargo part of the ship which sunk in the Gulf of Gdańsk in 1408. The excavated collection consists of 230 oval ingots of the size and mass up to about 60 cm and 18 kg (total of 2 tons), respectively. In the Raman...
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Analiza osadów dennych pod kątem ich właściwości nawozowych
PublikacjaThe analysis of bottom sediments in terms of their fertilizing properties. In paper the characterize of sediments as product to nature usage was done. Analyzed material was taken from ecological treatment system located in wastewater treatment plant in Swarzewo (Pomerania Region) about flow Q= 6000 m3/d. Measurements of dry matter and organic matter content, as well as nitrogen concentrations and phosphorus fractions: loosely...
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Automotive fleet repair facility wastewater treatment using air/ZVI and air/ZVI/H2 O2 processes
PublikacjaAdvanced automotive fl eet repair facility wastewater treatment was investigated with Zero-Valent Iron/Hydrogen Peroxide (Air/ZVI/H2 O2 ) process for different process parameters: ZVI and H2 O2 doses, time, pH. The highest Chemical Oxygen Demand (COD) removal effi ciency, 76%, was achieved for ZVI/H2 O2 doses 4000/1900 mg/L, 120 min process time, pH 3.0. COD decreased from 933 to 227 mg/L. In optimal process conditions odor and...
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Hybrid metal and non-metal activation of Oxone by magnetite nanostructures co-immobilized with nano-carbon black to degrade tetracycline: Fenton and electrochemical enhancement with bio-assay
PublikacjaElectrochemically synthesized magnetite nanostructures (ESMNPs) as a metal activator and nano-carbon black (NCB) as a non-metal activator were co-immobilized by alginate natural polymer to activate Oxone for the degradation of tetracycline (TC) antibiotic. The formation of sulfate radical was indirectly confirmed during the Oxone/ESMNPs/NCB/alginate process via the addition of scavenging compounds. This study revealed the high...
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The influence of magnetic particle incorporation on bisphenol A removal by β-cyclodextrin-derived sorbent
PublikacjaA novel, biomass-derived hybrid sorbent Ban-CD-EPI-Fe was successfully synthesized in a coprecipitation method, in which β-cyclodextrin copolymerized with banana peel extract and epichlorohydrin was grafted onto an iron oxide surface. The composition, presence of functional groups, morphology, thermal stability, and magnetic properties of the obtained material were characterized by Powder X-Ray Diffraction (XRD), X-Ray Photoelectron...
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The influence of polarization of titania nanotubes modified by a hybrid system made of a conducting polymer PEDOT and Prussian Blue redox network on the Raman spectroscopy response and photoelectrochemical properties
PublikacjaIn this work we show the impact of applied potential on network vibrations and photoelectrochemical properties of a composite material containing hydrogenated titania nanotubes and poly (3,4-ethylenedioxythiophene) with iron hexacyanoferrate (H-TiO2/pEDOT:Fehcf) acting as a redox centre. For this purpose, Raman spectroscopy measurements under the working electrode (WE) polarization were carried out, allowing investigation of changes...
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Unconditionally blue: Curing epoxy with polyethylene glycol (PEG) surface-functionalized Zn Fe3-O4 magnetic nanoparticles
PublikacjaNanoparticles govern early (chemical-controlled) and late (diffusion-controlled) stages of epoxy crosslinking, respectively. Surface functionalization of nanoparticles with macromolecules was recognized as an effective route to compensate for inadequate diffusion-controlled crosslinking. However, the effect of bulk composition amended with cations having catalytic effect towards epoxy ring opening has remained hitherto undescribed....
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Investigation into the Effect of Spinel Pigments on the Photostability and Combustion Properties of Ethylene-Norbornene Copolymer
PublikacjaMulticolor ethylene-norbornene (EN) composites filled with three different spinel pigments (Cobalt Green-PG50, Zinc Iron Yellow-PY 119, Praseodym Yellow-PY159) were prepared by melt mixing and characterized in terms of their stability under destructive environmental conditions. The EN films were subjected to accelerated aging by ultraviolet (UV) photooxidation for 300 h, 600 h, or 900 h. The mechanical performance of the EN composites...
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The effect of Fe on chemical stability and oxygen evolution performance of high surface area SrTix-1FexO3-δ mixed ionic-electronic conductors in alkaline media
PublikacjaDevelopment of environmentally friendly, high performing oxygen evolution reaction (OER) catalysts is an important research challenge. In this work, iron doped strontium titanates with a general formula SrTi1-xFexO3-δ (x = 0.35, 0.50, 0.70, 0.90, and 1.00) denoted as STFx, were synthesized via a solid state reaction technique and characterized in terms of oxygen evolution reaction electrocatalysis in an alkaline electrolyte (0.1...
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Multi-Technique Investigation of Grave Robes from 17th and 18th Century Crypts Using Combined Spectroscopic, Spectrometric Techniques, and New-Generation Sequencing
PublikacjaThe textile fragments of the funeral clothes found in the 17th and 18th century crypts were subjected to spectroscopic, spectrometric, and microbial investigation. The next-generation sequencing enabled DNA identification of microorganisms at the genus and in five cases to the species level. The soft hydrofluoric acid extraction method was optimized to isolate different classes of dyes from samples that had direct contact with...
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Synthesis and photoelectrochemical behaviour of hydrogenated titania nanotubes modified with conducting polymer infiltrated by redox active network
PublikacjaIn this work, we show preparation of ordered inorganic-organic composite electrode material where hydrogenated titania nanotubes H-TiO2 with tubularly developed surface modified with poly(3,4-ethylenedioxythiophene) matrix permeated by Prussian Blue (PB) inorganic redox network in order to reach highly photoactive heterojunction. The polymer deposition was realized via two subsequent processes covering: i) potentiostatic polymerization...
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Phospholipids as potential prevention factor in carcinogenesis
PublikacjaPhospholipids are a group of complex lipids, which can be used in cancer chemoprevention. Glicerophospholipids are composed of fatty acids esterified to a glycerol backbone, a phosphate group and a hydrophilic residue such as: cho- line, ethanoloamine, serine or inositol. In the sn-2 position of glicerophospholipid usually there are unsaturated fatty acids, i.e. linolenic acid, while in the sn-1 position more typi- cal are saturated...
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Direct determination of paraquat herbicide by square-wave voltammetry by two-step transfer mechanism at heterogeneous boron-doped carbon nanowall electrodes
PublikacjaBoron-doped carbon nanowalls (B:CNW) versus boron-doped diamond (BDD) materials were investigated for the effective electrochemical detection of highly toxic herbicide paraquat (PQ). Depending on the surface morphology and functional groups of BDD and B:CNWs, the electrochemical absorption and detection of the target analyte PQ revealed different detection mechanisms. The surface absorption mechanism was mainly observed for BDD,...
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Chitosan-based nanomaterials for removal of water pollutants
PublikacjaThe rise of micropollutants presents a significant threat to both the environment and human well-being, requiring effective strategies for their mitigation. Chitin serves as the precursor for chitosan, composed of two monomers featuring acetamido and amino groups. Chitosan possesses several noteworthy attributes, including its ability to bind water and fat, humidity content, solubility, consistent molecular weight, and various...
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The effect of aeration mode (intermittent vs. continuous) on nutrient removal and greenhouse gas emissions in the wastewater treatment plant of Corleone (Italy)
PublikacjaThe paper reports the results of an experimental study aimed at comparing two configurations of a full-scale wastewater treatment plant (WWTP): conventional activated sludge (CAS) and oxic-settling-anaerobic process (OSA) with intermittent aeration (IA). A comprehensive monitoring campaign was carried out to assess multiple parameters for comparing the two configurations: carbon and nutrient removal, greenhouse gas emissions, respirometric...
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Phospholipid-functionalized gold electrode for cellular membrane interface studies - interactions between DMPC bilayer and human cystatin C
PublikacjaThis work describes the electrochemical studies on the interactions between V57G mutant of human cystatin C (hCC V57G) and membrane bilayer immobilized on the surface of a gold electrode. The electrode was modified with 6-mercaptohexan-1-ol (MCH) and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC). DMPC was used as a membrane mimetic for monitoring electrochemical changes resulting from the interactions between the functionalized...
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Studies on Silver Ions Releasing Processes and Mechanical Properties of Surface-Modified Titanium Alloy Implants
PublikacjaDispersed silver nanoparticles (AgNPs) on the surface of titanium alloy (Ti6Al4V) and titanium alloy modified by titania nanotube layer (Ti6Al4V/TNT) substrates were produced by the chemical vapor deposition method (CVD) using a novel precursor of the formula [Ag5(O2CC2F5)5(H2O)3]. The structure and volatile properties of this compound were determined using single crystal X-ray diffractometry, variable temperature IR spectrophotometry...
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Polyurethane porous scaffolds (PPS) for soft tissue regenerative medicine applications
PublikacjaTissue engineering requires suitable polymeric scaffolds, which act as a physical support for regenerated tissue. A promising candidate might be polyurethane (PUR) scaffold, due to the ease of the PUR properties design, which can be adjusted directly to the intended purpose. In this study, we report a successful fabrication of porous polyurethane scaffolds (PPS) using solvent casting/particulate leaching technique combined with...
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Shape-dependent enhanced photocatalytic effect under visible light of Ag3PO4 particles
PublikacjaSilver phosphate (Ag3PO4) could be considered as visible light induced photocatalyst for pollutants degradation, due to its narrow band gap (∼2.4 eV). However, Ag3PO4 photoactivity depends on surface properties and synthesis route. In this study, differently shaped Ag3PO4 photocatalysts have been synthesized through the precipitation, ion exchange, soft-chemical or hydrothermal method. To correlate surface properties with photoactivity all...
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Evaluation of bacterial strains for developing effective plant growth promoting strain on chickpea growth and physico chemical properties of soil
PublikacjaThe study was intended to isolate and characterize the plant growth-promoting properties. A collection of microbial consortia called plant growth-promoting microorganisms (PGPM) work to increase crop growth and yield through a variety of direct mechanisms, including as nitrogen fixation, phosphate solubilization, synthesis of PGH, ammonia, and siderophore, as well as indirect mechanisms. The aim of the study was to evaluate the...
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PLA–Potato Thermoplastic Starch Filament as a Sustainable Alternative to the Conventional PLA Filament: Processing, Characterization, and FFF 3D Printing
PublikacjaThe growing popularity of the fused filament fabrication (FFF) 3D printing technology in science, industry, and in-home use is associated with an increased demand for high-quality polymer filaments. This study presents an in-depth characterization and analysis of a self-made bio-based polylactide (PLA)/thermoplastic potato starch (TPS) filament dedicated for the FFF 3D printing technology. The obtained results were compared with...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublikacjaBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Rheological, Mechanical, Microstructural and Radiation Shielding Properties of Cement Pastes Containing Magnetite (Fe3O4) Nanoparticles
PublikacjaThis work examines the influence of iron oxide nanoparticles (Fe3O4 NPs) on neutron and gamma-ray radiation shielding characteristics of Portland cement paste. Experimental evaluations were supplemented with theoretical studies using NXCom program. Portland cement pastes with 5, 10, 15, 20, and 30 wt% of nanomagnetite cement replacement were produced. Moreover, rheological, early strength development, compressive strength, and...
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Multi-Analytical Techniques for the Study of Burial Clothes of Polish King Sigismund III Vasa (1566–1633) and His Wife Constance Habsburg (1588–1631)
PublikacjaThe subjects of this research are the burial clothes of Polish King Sigismund III Vasa and his wife Constance, which were woven and embroidered with silk and metal threads. Fragments of the textiles underwent spectroscopic, spectrometric, and thermogravimetric analyses. The hydrofluoric acid extraction method was improved to isolate various classes of dyes from the textile samples that had direct contact with human remains. High-performance...
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Free trade with the former COMECON Countries as Unequal Exchange
PublikacjaTwo authors of this chapter were born to the East of what was once The Iron Curtain and two to the West. From both angles, the two systems – capitalism and communism – seemed to be as contrary to each other as possible. Few people are aware that in terms of industrial and trade policy, both classical capitalism and communism had a common root in the theories of German economist Friedrich List (1789-1846) (List, 1841). In fact,...
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Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublikacjaParamount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...