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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublikacjaOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Spectroscopic evaluation of a low power atmospheric pressure mixed argon–helium microwave induced plasma combined with the chemical generation of volatile species for the optical emission spectrometric determination of arsenic, antimony and mercury
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Physicochemical Properties and Application of Silica-Doped Biochar Composites as Efficient Sorbents of Copper from Tap Water
PublikacjaThis article concerns research on new sorption materials based on silica-doped activated carbon. A two-stage synthesis involved pyrolysis of plant material impregnated in a water glass solution , followed by hydrothermal activation of the pyrolysate in KOH solution. The resulting composite can be used as a sorbent in drinking water filters. The proposed method of synthesis enables the design of materials with a surface area...
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Silicon oxycarbide ceramics as anodes for lithium ion batteries: influence of carbon content on lithium storage capacity
PublikacjaWe report here on the synthesis and characterization of silicon oxycarbide (SiOC) in view of its application as a potential anode material for Li-ion batteries. SiOC ceramics are obtained by pyrolysis of various polysiloxanes synthesized by sol–gel methods. The polysiloxanes contain different organic groups attached to silicon, which influence the chemical composition and the microstructure of the final ceramic product. The structure...
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Formation of Highly Conductive Boron-Doped Diamond on TiO2 Nanotubes Composite for Supercapacitor or Energy Storage Devices
PublikacjaIn the present paper, we report the phenomena of the formation of the novel composite nanostructures based on TiO2 nanotubes (NTs) over-grown by thin boron-doped diamond (BDD) film produced in Microwave Plasma Enhanced Chemical Vapor Deposition (PE MWCVD). The TiO2 nanotube array overgrown by boron-doped diamond immersed in 0.1 M NaNO3 can deliver high specific capacitance of 7.46 mF cm−2. The composite electrodes were characterized...
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Low-Coherence Interferometric Fiber-Optic Sensors with Potential Applications as Biosensors
PublikacjaFiber-optic Fabry-Pérot interferometers (FPI) can be applied as optical sensors, and excellent measurement sensitivity can be obtained by fine-tuning the interferometer design. In this work, we evaluate the ability of selected dielectric thin films to optimize the reflectivity of the Fabry-Pérot cavity. The spectral reflectance and transmittance of dielectric films made of titanium dioxide (TiO2) and aluminum oxide (Al2O3) with...
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The possibility of use by-products for synthesis of emulsifiers
PublikacjaIn the last years the interest in use of materials originated from natural sources, e.g. vegetables to produce attractive products still grows. According to that, also the synthesis of these products should be adequate to the green chemistry requirements. The typical example observed in recent years focuses on utlization of bioglycerol - the by - product of global biodiesel manufacturing. The still growing production of biodiesel...
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Sustainable upcycling of brewers’ spent grain by thermo-mechanical treatment in twin-screw extruder
PublikacjaThermo-mechanical treatment of brewers’ spent grain (a by-product of beer manufacturing) was successfully performed via the extrusion process. The impact of temperature (from 30 to 180 °C), throughput (from 1 to 5 kg/h) and screw speed (from 75 to 375 rpm) on particle size, color, chemical structure, antioxidant activity and thermal stability of resulting material, as well as correlations between particular properties, were investigated....
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Low-Coherence Interferometric Fiber-Optic Sensors with Potential Applications as Biosensors
PublikacjaFiber-optic Fabry-Pérot interferometers (FPI) can be applied as optical sensors, and excellent measurement sensitivity can be obtained by fine-tuning the interferometer design. In this work, we evaluate the ability of selected dielectric thin films to optimize the reflectivity of the Fabry-Pérot cavity. The spectral reflectance and transmittance of dielectric films made of titanium dioxide (TiO2) and aluminum oxide (Al2O3) with...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublikacjaPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Flame-Retardant Polymer Materials Developed by Reactive Extrusion: Present Status and Future Perspectives
PublikacjaThe development of flame retardant polymer materials has two roots, one in materials design, and the other in materials processing. Over recent decades, different types and classes of flame retardant polymer materials have been commercialized to meet safety requirements in the construction, automotive, and coatings industries. In the vast majority of cases, the design and fabrication of new materials presenting low fire hazards...
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Culturable bacteria community development in postglacial soils of Ecology Glacier, King George Island, Antarctica
PublikacjaGlacier forelands are excellent sites in which to study microbial succession because conditions change rapidly in the emerging soil. Development of the bacterial community was studied along two transects on lateral moraines of Ecology Glacier, King George Island, by culture-dependent and culture-independent approaches (denaturating gradient gel electrophoresis). Environmental conditions such as cryoturbation and soil composition...
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublikacjaMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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HR-CS FAAS based method for direct determination of total concentrations of Ca, Fe, Mg and Mn in functional apple beverages and evaluation of contributions of the bioaccessible fraction of these elements by in vitro gastrointestinal digestion and chemical fractionation
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Fast, sensitive and reliable multi-residue method for routine determination of 34 pesticides from various chemical groups in water samples by using dispersive liquid – liquid microextraction coupled with gas chromatography – mass spectrometry
PublikacjaA simple and efficient dispersive liquid-liquid microextraction technique (DLLME) was developed by using a mixture of two solvents: 40 μL of tetrachlorethylene (extraction solvent) and 1.0 mL of methanol (disperser solvent), which was rapidly injected with a syringe into 10mL ofwater sample. Some important parameters affecting the extraction efficiency, such as type and volume of solvents, water sample volume, extraction time,...
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Opracowanie procedury i badania wytrzymałościowe połączeń spawanych pomiędzy rurą kwadratowa a elementami giętymi na zimno ze stali S355 oraz testowanie połączeń o grubości 4, 6, 8mm typu S355
PublikacjaCelem pracy było: - opracowanie procedury badania wytrzymałości połączeń spawanych rozciąganych w kierunku prostopadłym i w kierunku równoległym (ścinanych) do osi spoiny. Spoiny te łączyły elementy rur kwadratowych o różnej grubości z elementami w kształcie ceownika giętymi na zimno. - wykonanie próbek do badań wytrzymałościowych wyciętych z elementów spawanych dostarczonych przez Zakład Produkcyjny firmy Borga obciążonych prostopadle...
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Microwave radiation in the synthesis of urethane prepolymers
PublikacjaThis 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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Phototransformation of three selected pharmaceuticals, naproxen, 17α-Ethinylestradiol and tetracycline in water: Identification of photoproducts and transformation pathways
PublikacjaTransformation products (TPs) may be formed during various processes, however, it was proved that one of the main mechanisms responsible for degradation of pharmaceuticals in natural waters is photolysis. Three compounds were selected, tetracycline (TC), 17-α-ethinylestradiol (EE2) and naproxen (NAP), for degradation experiments which were performed using a xenon lamp emitting light with a spectrum closely approximating that of...
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Visible light photocatalysis employing TiO2/SrTiO3-BiOI composites: Surface properties and photoexcitation mechanism
PublikacjaA series of binary TiO2/SrTiO3 and ternary TiO2/SrTiO3_BiOI composites have been synthesized using multistep preparation method. Characterization of the obtained photocatalysts covered complex analysis including morphology + y (SEM), BET specific surface area, porosity, optical properties (DRS), chemical composition of surface (XPS), crystal structure and crystal size (XRD). UV–vis and Vis ligh induced photocatalytic activity was...
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Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics
PublikacjaStatistical block copolymers, composed of donor (D) and acceptor (A) blocks, are a novel type of material for organic photovoltaics (OPVs) devices. In particular a new series of polymers based on PBTZT-stat-BDTT-8, recently developed by Merck, offers high solubility in different solvents, and a high power conversion efficiency (PCE) in different device architectures. Although it is known that the electronic properties of these...
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Salt melt synthesis of curved nitrogen-doped carbon nanostructures: ORR kinetics boost
PublikacjaImplementing metal-free electrocatalysts for the oxygen reduction reaction (ORR) and revealing crucial chemical or topographical parameters driving their activity are vital for the development of power cells. The carbon-based catalysts are very often synthesized through carbonization of biopolymers, in particular, those one containing nitrogen groups such as chitosan. Unfortunately, the resulting carbonaceous materials usually...
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Structural, mechanical and thermal behavior assessments of PCL/PHB blends reactively compatibilized with organic peroxides
PublikacjaThe efficiency of two commercially available organic peroxides, dicumyl peroxide (DCP) and di-(2-tert-butyl-peroxyisopropyl)-benzene (BIB), during reactive processing of poly (ε-caprolactone)/poly (3-hydroxybutyrate) (PCL/PHB) blends was investigated. The changes in chemical structure of PCL/PHB blends, as a function of organic peroxide type (DCP/BIB) and content (in range: 0–1.0 parts by weight - pbw), were characterized by Fourier...
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Supramolecular deep eutectic solvents and their applications
PublikacjaIn recent years, the growing awareness of the harmfulness of chemicals to the environment has resulted in the development of green and sustainable technologies. The compromise between economy and environmental requirements is based on the development of new efficient and green solutions. Supramolecular deep eutectic solvents (SUPRADESs), a new deep eutectic solvent (DES) subclass characterized by inclusion properties, are a fresh...
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Mechanical Properties of Bio-Composites Based on Epoxy Resin and Nanocellulose Fibres
PublikacjaThe aim of our research was to investigate the effect of a small nanocellulose (NC) addition on an improvement of the mechanical properties of epoxy composites. A procedure of chemical extraction from pressed lignin was used to obtain nanocellulose fibers. The presence of nanoparticles in the cellulose pulp was confirmed by FTIR/ATR spectra as well as measurement of nanocellulose particle size using a Zetasizer analyzer. Epoxy...
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Overcoming carboxylic acid inhibition by granular consortia in high-load liquefied food waste fermentation for efficient lactate accumulation
PublikacjaGranular sludge, a self-aggregating spherical biofilm, possesses better stability compared to flocculent sludge under extreme conditions. This study compared the ability of anaerobic granular sludge (AnGS) and flocculent waste activated sludge (WAS) to convert food waste (FW) into highly-valuable optically active lactic acid (LA), a central and versatile intermediate platform molecule. Different loadings (30–60 g volatile suspended...
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Self-Organization of Graft Copolymers and Retortable iPP-Based Nanoporous Films Thereof
PublikacjaPolyolefins might become inexpensive alternatives to the existing membranes based on polyethersulfone. Here we disclose the production of retortable, well-defined PP-based nanoporous membranes derived from amphiphilic graft copolymer precursors. The graft copolymers, containing a polypropylene backbone and polyester grafts, were obtained by grafting lactones, specifically δ-valerolactone and ε-caprolactone, from well-defined randomly...
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Description and assessment of chemical properties of fruits of the chocolate vine (five-leaf Akebia) Akebia quinata (Houtt.) Decne and dead man's fingers Decaisnea insignis (Griff.) Hokk.f. & Thomson, grown in Szczecin and in the Arboretum in Glinna (northwestern Poland)
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Influence of dispersed phase content on the mechanical properties of electroless nanocomposite Ni-P/Si3N4 and hybrid Ni-P/Si3N4/graphite layers deposited on the AW-7075 alloy.
PublikacjaThe article presents the results of mechanical testing of Ni-P/Si3N4 nanocomposite and hybrid Ni-P/Si3N4/graphite coatings deposited on AW-7075 aluminum alloy using the chemical reduction method. In terms of mechanical testing, microhardness was measured, and surface roughness and adhesion of the coatings to the aluminum substrate were determined using the “scratch test” method. The surface morphology of the deposited layers was...
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Low temperature growth of diamond films on optical fibers using Linear Antenna CVD system
PublikacjaIt is not trivial to achieve a good quality diamond-coated fibre interface due to a large difference in the properties and composition of the diamond films (or use coating even) and the optical fibre material, i.e. fused silica. One of the biggest problems is the high temperature during the deposition which influences the optical fibre or optical fibre sensor structure (e.g. long-period gratings (LPG)). The greatest advantage of...
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Influence of the boron doping level on the electrochemical oxidation of the azo dyes at Si/BDD thin film electrodes
PublikacjaIn this study the efficiency of electrochemical oxidation of aromatic pollutants, such as reactive dyes, at boron-doped diamond on silicon (Si/BDD) electrodes was investigated. The level of [B]/[C] ratio which is effective for the degradation and mineralization of selected aromatic pollutants, and the impact of [B]/[C] ratio on the crystalline structure, layer conductivity and relative sp3/sp2 coefficient of a BDD electrode were...
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Polyurethane/Silane-Functionalized ZrO2 Nanocomposite Powder Coatings: Thermal Degradation Kinetics
PublikacjaA polyurethane (PU)-based powder coating reinforced with vinyltrimethoxysilane (VTMS)-functionalized ZrO2 nanoparticles (V-ZrO2) for thermal stability was developed. Chemical structure, microstructure and thermal degradation kinetics of the prepared coatings were investigated. The peak of aliphatic C–H vibrating bond in the Fourier transform infrared (FTIR) spectrum of V-ZrO2 was a signature of VTMS attachment. Scanning electron...
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Biopolyols obtained via crude glycerol-based liquefaction of cellulose: their structural, rheological and thermal characterization
PublikacjaIn this work lignocellulose biomass liquefaction was used to produce biopolyols suitable for the manufacturing of rigid polyurethane foams. In order to better evaluate the mechanism of the process, pure cellulose was applied as a raw material. The effect of time and temperature on the effectiveness of liquefaction and the parameters of resulting biopolyols were characterized. The prepared materials were analyzed in terms of their...
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Structural, thermal and physico-mechanical properties of polyurethane/brewers’ spent grain composite foams modified with ground tire rubber
PublikacjaIn this work, brewers’ spent grain (BSG) and ground tire rubber (GTR) waste fillers were applied as low-cost reinforcement phase in rigid polyurethane foam (PUR). PUR/BSG/GTR composites were prepared by a single step method, using polyglycerol as partial substitute of commercially available petrochemical polyols. Foaming parameters, chemical structure, dynamic mechanical properties, thermal stability, physico-mechanical properties...
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Bio‑derived polyurethanes obtained by non‑isocyanate route using polyol‑based bis(cyclic carbonate)s—studies on thermal decomposition behavior
PublikacjaNon-isocyanate polyurethanes (NIPUs) constitute one of the most prospective groups of eco-friendly materials based on their phosgene-free synthesis pathway. Moreover, one of the steps of their obtaining includes the use of carbon dioxide (CO 2 ), which allows for the promotion of the development of carbon dioxide capture and storage technologies. In this work, non- isocyanate polyurethanes were obtained via three-step synthesis...
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Efficient Method for the Concentration Determination of Fmoc Groups Incorporated in the Core-Shell Materials by Fmoc–Glycine
PublikacjaIn this paper, we described the synthesis procedure of TiO2@SiO2 core-shell modified with 3-(aminopropyl)trimethoxysilane (APTMS). The chemical attachment of Fmoc–glycine (Fmoc–Gly–OH) at the surface of the core-shell structure was performed to determine the amount of active amino groups on the basis of the amount of Fmoc group calculation. We characterized nanostructures using various methods: transmission electron microscope...
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Eco-friendly Route for Thermoplastic Polyurethane Elastomers with Bio-based Hard Segments Composed of Bio-glycol and Mixtures of Aromatic–Aliphatic and Aliphatic–Aliphatic Diisocyanate
PublikacjaApplication of bio-based diisocyanates with low volatility instead petrochemical diisocyanates has positive impact on environment by reduction of hazardous effects on living organisms and lead to bio-based polyurethanes (bio-PUs) with good usage properties. This work was focused on the synthesis and chosen properties examination of partially bio-based thermoplastic polyurethane elastomers (bio-PUs) obtained using diisocyanate mixtures,...
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Fabrication and characterization of boron-doped nanocrystalline diamond-coated MEMS probes
PublikacjaFabrication processes of thin boron-doped nanocrystalline diamond (B-NCD) films on silicon-based micro- and nano-electromechanical structures have been investigated. Nanocrystalline boron doped -diamond (B-NCD) films were deposited using Microwave Plasma Assisted Chemical Vapour Deposition (MW PA CVD) method. The variation of B-NCD morphology, structure and optical parameters were particularly investigated. The use of truncated...
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Synthesis and reactivity of O-acyl selenophosphates
PublikacjaThe synthesis of several new O-acyl selenophosphates were investigated. The stability and reactivity of the products were studied and related to their structure.
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The preparation and evaluation of core-shell magnetic dummy-template molecularly imprinted polymers for preliminary recognition of the low-mass polybrominated diphenyl ethers from aqueous solutions
PublikacjaThe design, preparation process, binding abilities, morphological characteristic and prospective field of application of dummy-template magnetic molecularly imprinted polymer (DMMIP) for preliminary recognition of the selected low-mass polybrominated diphenyl ethers (PBDE-47 and PBDE-99) from aquatic environment were investigated. The surface of iron oxide (Fe3O4) nanopowder (50-100 nm particles size) was modified with tetraethoxysilane...
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Self-organized multilayered graphene-boron doped diamond hybrid nanowalls for high performance electron emission devices
PublikacjaCarbon nanomaterials like nanotubes, nanoflakes/nanowalls and graphene have been used as electron sources due to their superior field electron emission (FEE) characteristics. Nevertheless, these materials show poor stability and a short lifetime, preventing them from being used in practical device applications. The intention of this study was to find an innovative nanomaterial, possessing both high robustness and reliable FEE behavior....
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Exposure to Bisphenol A Analogs and the Thyroid Function and Volume in Women of Reproductive Age—Cross-Sectional Study
PublikacjaBisphenols (BPs) are commonly known plastifiers that are widely used in industry. The knowledge about the impact of BPs on thyroid function is scarce. Proper thyroid functioning is especially important for women of reproductive age, as hypothyroidism affects fertility, pregnancy outcomes and the offspring. There are no studies analyzing the influence of BPs on thyroid function and volume in non-pregnant young women. The aim of...
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Dehydration converts DsbG crystal diffraction from low to high resolution
PublikacjaDiffraction quality crystals are essential for crystallographic studies of protein structure, and the production of poorly diffracting crystals is often regarded as a dead end in the process. Here we show a dramatic improvement of poorly diffracting DsbG crystals allowing high-resolution diffraction data measurement. Before dehydration, the crystals are fragile and the diffraction pattern is streaky, extending to 10 Å resolution....
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Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes
PublikacjaThe sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(II) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.
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Application and modelling of Shape-Memory Alloys for structural vibration control: State-of-the-art review
PublikacjaOne of the most essential components of structural design for civil engineers is to build a system that is resistant to environmental conditions such as harsh chemical environments, and catastrophic disasters like earthquakes and hurricanes. Under these circumstances and disturbances, conventional building materials such as steel and concrete may demonstrate inadequate performance in the form of corrosion, deterioration, oxidizing,...
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Bile salts in digestion and transport of lipids
PublikacjaBecause of their unusual chemical structure, bile salts (BS) play a fundamental role in intestinal lipid digestion and transport. BS have a planar arrangement of hydrophobic and hydrophilic moieties, which enables the BS molecules to form peculiar self-assembled structures in aqueous solutions. This molecular arrangement also has an influence on specific interactions of BS with lipid molecules and other compounds of ingested food...