Filtry
wszystkich: 5735
wybranych: 3978
-
Katalog
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: PROTEINS, DATA-ASSISTED MODELING, CONFORMATIONAL ENSEMBLES, NUCLEAR MAGNETIC RESONANCE, SMALL-ANGLE X-RAY SCATTERING, CHEMICAL CROSS-LINKING COUPLED WITH MASS SPECTROSCOPY, MOLECULAR DYNAMICS, COARSE GRAINING
-
Predicting the Purchase of Electricity Prices for Renewable Energy Sources Based on Polish Power Grids Data Using Deep Learning Models for Controlling Small Hybrid PV Microinstallations
Publikacja -
Synthesis and characterization of cycloaliphatic hydrophilic polyurethanes, modified with l-ascorbic acid, as materials for soft tissue regeneration
PublikacjaIn this paper we described synthesis and characteristic of obtained hydrophilic polyurethanes (PURs) modified with ascorbic acid (commonly known as vitamin C). Such materials may find an application in the biomedical field, for example in the regenerative medicine of soft tissues, according to ascorbic acid wide influence on tissue regeneration Flora (2009), Szymańska-Pasternak et al. (2011), Taikarimi and Ibrahim (2011), Myrvik...
-
Zirconia ceramics with additions of Alumina for advanced tribological and biomedical applications
PublikacjaThe results of an investigation on slip cast and sintered Y2O3 (3 wt%)- stabilized ZrO2 with additions of 5, 10, 15 wt% Al2O3 are reported. The surface roughness, porosity and density of the samples were measured. The hardness HRc and Hv, fracture toughness K1C, and friction coefficients were also measured using standard methods. The structural properties of the samples were observed by Scanning Electron Microscopy (SEM). The surface...
-
Corrosivity of environment and the current state of the steel elements at the former Auschwitz concentration camp
PublikacjaThe objective of this study was to assess corrosivity of the atmospheric environment in the former Auschwitz I and Auschwitz II-Birkenau concentration and extermination camp, and to identify the protective properties of existing corrosion products in order to estimate the actual corrosion rate of original steel elements located there. The current atmospheric corrosivity of the former Auschwitz camp, specified during one year of exposure...
-
Exploiting the S4–S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling Analysis
Publikacja -
Unusual divergence of magnetoacoustic beams
PublikacjaTwo-dimensional magnetosonic beams directed along a line forming a constant angle h with the equilibrium straight magnetic field are considered. Perturbations in a plasma are described by the system of ideal magnetohydrodynamic equations. The dynamics of perturbations in a beam are different in the cases of fast and slow modes, and it is determined by h and equilibrium parameters of a plasma. In particular, a beam divergence may...
-
Study of New Oxytocin Antagonist Barusiban (Fe200 440) Affinity Toward Human Oxytocin Receptor Versus Vasopressin V1a and V2 Receptors - Molecular Dynamics Simulation in POPC Bilayer
Publikacja -
Eco-Friendly Ether and Ester-Urethane Prepolymer: Structure, Processing and Properties
PublikacjaThis study concerns bio-based urethane prepolymers. The relationship between the chemical structure and the thermal and processing parameters of bio-based isocyanate-terminated ether and ester-urethane prepolymers was investigated. Bio-based prepolymers were obtained with the use of bio-monomers such as bio-based diisocyanate, bio-based polyether polyol or polyester polyols. In addition to their composition, the bio-based prepolymers...
-
Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study
PublikacjaElastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured...
-
Quasi-one-dimensional exchange interactions and short-range magnetic correlations in CuTeO4
PublikacjaCuTeO4 has been proposed as a crystallographically distinct, yet electronic structure analog, of the superconducting cuprates. Here, we present a detailed characterization of the physical properties of CuTeO4 to address this proposal. Fitting of magnetic susceptibility data indicates unexpected quasi-one-dimensional, antiferromagnetic correlations at high temperature, with a nearest-neighbor Heisenberg exchange of 1=164(5) K....
-
Effect of bio-based components on the chemical structure, thermal stability and mechanical properties of green thermoplastic polyurethane elastomers
PublikacjaIt seems to be obvious that conditions changes during polyols synthesis have impact on the polyols properties. Even the chemical formula is the same or similar, physicochemical properties and also molecular weight of polyols might be different and are significant in term of future polyurethanes properties and processing. In this work, fully bio-based poly(propylene succinate)s synthesized at different temperature conditions were...
-
On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
PublikacjaIn this paper droplet evaporative crystallization of salicylic acid (SA) and acetylsalicylic acid (ASA) crystals on different surfaces, such as glass, polyvinyl alcohol (PVA), and paraffin was studied. The obtained crystals were analyzed using powder X-ray diffraction (PXRD) technique. In order to better understand the effect of the surface on evaporative crystallization, crystals deposited on glass were scraped off. Moreover,...
-
Kinetics study of the fully bio-based poly(propylene succinate) synthesis. Functional group approach
PublikacjaCurrently, the increasing importance of the bio-based chemical compounds development is visible in the polymer chemistry, chemical engineering and materials science. It is well-known that the various purity level and different contaminants characterize petrochemical-based compounds compared to their biobased counterparts. Therefore, it is necessary to find out the contaminants impact on the bio-based monomers synthesis. One of...
-
A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublikacjaElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
-
Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
PublikacjaPolycrystalline samples of four intermetallic compounds: MV2Al20 (M=Sc, Y, La, and Lu) were synthesized using an arc-melting technique. The crystal structures were analyzed by means of powder x-ray diffraction and Rietveld analysis, and the physical properties were studied by means of heat capacity, electrical resistivity, and magnetic susceptibility measurements down to 0.4 K. For ScV2Al20, LuV2Al20, and YV2Al20, superconductivity...
-
The experimental identification of the dynamic coefficients of two hydrodynamic journal bearings operating at constant rotational speed and under nonlinear conditions.
PublikacjaHydrodynamic bearings are commonly used in ship propulsion systems. Typically, they are calculated using numerical or experimental methods. This paper presents an experimental study through which it has been possible to estimate 24 dynamic coefficients of two hydrodynamic slide bearings operating under nonlinear conditions. During the investigation, bearing mass coefficients are identified by means of a newly developed algorithm....
-
Antimony substituted lanthanum orthoniobate proton conductor – structure and electronic properties.
PublikacjaX‐ray and neutron diffraction have been utilized to analyze the crystalline and electronic structure of lanthanum orthoniobate substituted by antimony. Using X‐ray absorption spectroscopy and photoelectron spectroscopy, changes in the electronic structure of the material upon substitution have been analyzed. The structural transition temperature between fergusonite and scheelite phases for 30 mol% antimony substitution was found...
-
Characterization of Bioactivity of Selective Molecules in Fruit Wines by FTIR and NMR Spectroscopies, Fluorescence and Docking Calculations
PublikacjaFourier transform infrared (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm−1) and 1H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination...
-
“Dilute & Shoot” approach for rapid determination of trace amounts of nicotine in zero-level e-liquids by reversed phase liquid chromatography and hydrophilic interactions liquid chromatography coupled with tandem mass spectrometry-electrospray ionization
Publikacja -
Low energy differential elastic electron scattering from trichloromethane
PublikacjaExperimental differential cross sections for low energy electron scattering from trichloromethane is measured utilizing a crossed electron-molecular beam experiment via the relative flow method, for the incident electron energies in the range of E = 0.5 eV-30 eV and the scattering angles in the range of θ = 10◦ − 130◦ .
-
Novel primosomal protein B from thermophilic bacterium Thermoanerobacter tengcongensis
PublikacjaWe report the identification and characterization of theprimosomal protein B (PriB) from thermophilic bacteriumThermoanerobacter tengcongensis (TtePriB). It is the largestknown bacterial PriB protein consisting 216 amino acidresidues with a calculated molecular mass of 25 kDa. Surprisingly,it is functional as monomer containing two single-stranded DNA binding domain (OB-fold) and it is thecompletely new kind structure of SSB protein....
-
Interrelationship between total volatile organic compounds emissions, structure and properties of natural rubber/polycaprolactone bio-blends cross-linked with peroxides
PublikacjaNatural rubber/polycaprolactone (NR/PCL) bio-based blends with different organic peroxides were prepared using an internal batch mixer and subsequently cross-linked at 170°C. Two types of commonly used organic peroxides, dicumyl peroxide and di(tert-butylperoxyisopropyl)benzene peroxide, were applied as free-radical initiator. Cross-linking efficiency of NR/PCL blends were investigated using oscillating disc rheometer measurements,...
-
Structural, electrical, and magnetic study of La-, Eu-, and Er- doped bismuth ferrite nanomaterials obtained by solution combustion synthesis
PublikacjaIn this work, the multiferroic bismuth ferrite materials Bi0.9RE0.1FeO3 doped by rare-earth (RE = La, Eu, and Er) elements were obtained by the solution combustion synthesis. Structure, electrical, and magnetic properties of prepared samples were investigated by X-ray photoelectron spectroscopy, Mössbauer spectroscopy, electrical hysteresis measurement, broadband dielectric spectroscopy, and SQUID magnetometry. All obtained nanomaterials...
-
Defective TiO2 Core-Shell Magnetic Photocatalyst Modified with Plasmonic Nanoparticles for Visible Light-Induced Photocatalytic Activity
PublikacjaIn the presented work, for the first time, the metal-modified defective titanium(IV) oxide nanoparticles with well-defined titanium vacancies, was successfully obtained. Introducing platinum and copper nanoparticles (NPs) as surface modifiers of defective d-TiO2 significantly increased the photocatalytic activity in both UV-Vis and Vis light ranges. Moreover, metal NPs deposition on the magnetic core allowed for the effective separation...
-
Light-Modulated Sunscreen Mechanism in the Retina of the Human Eye
PublikacjaThe functioning of the human eye in the extreme range of light intensity requires a combination of the high sensitivity of photoreceptors with their photostability. Here, we identify a regulatory mechanism based on dynamic modulation of light absorption by xanthophylls in the retina, realized by reorientation of pigment molecules induced by trans–cis photoisomerization. We explore this photochemically switchable system using chromatographic...
-
The Influence of the Depth of Cut in Single-Pass Grinding on the Microstructure and Properties of the C45 Steel Surface Layer
PublikacjaThe paper contains the results of a metallographic examination and nanoindentation test conducted for the medium carbon structural steel with low content of Mn, Si, Cu, Cr, and Ni after its grinding to a depth ranging from 2 μm to 20 μm, at constant cutting speed (peripheral speed) of vs = 25 ms−1 and constant feed rate of vft = 1 m/min. Applied grinding parameters did not cause the surface layer hardening, which could generate...
-
THE APPLICATION OF THE MECHANOCHEMICAL SYNTHESIS FOR THE PREPARATION OF ADVANCED CERAMICS BASED ON BARIUM TITANATE
PublikacjaIn the present study, the lead-free BaTi1-xZrxO3 (for x = 0, 0.05 and 0.15) ceramics were prepared by High-Energy Ball Milling and heat treatments. The performed X-ray, SEM and EDS measurements confirmed high purity, good quality and the expected quantitative composition of the obtained samples. The study of dielectric properties was performed by means of broadband dielectric spectroscopy at the frequency ranging from 0.1 Hz to...
-
High-conducting Bi4V2-xFexO11-δ ceramics containing Fe2O3 nanocrystals: Structure and properties
PublikacjaThe topography, structure, thermal, magnetic, and electrical properties of Bi4V2-xFexO11-δ ceramics substituted with x = 0.5 and 0.7 Fe were studied. The microscope analysis showed the presence of iron-rich nanocrystals formed on the Bi-Fe-V-O grains. The X-ray diffraction studies confirmed that grains are built mostly of tetragonal Bi4V1.5Fe0.5O10.5 phase. Thermal properties analysis showed an order-disorder type γ ↔ γʹ phase...
-
Magnetic semiconductor photocatalysts for the degradation of recalcitrant chemicals from flow back water
PublikacjaIn the present study treatability of persistent organic compounds from the flow back water after hydrauling fracturing was investigated. The combination of TiO2 photocatalyst and magnetic oxide nanoparticles enhance the separation and recoverable property of nanosized TiO2 photocatalyst. Fe3O4/ TiO2 and Fe3O4@SiO2/TiO2 nanocomposites were prepared by heteroagglomeration. The photocatalysts’ characteristics by X-ray diffractometry...
-
Characterization of exceptionally thermostable single-stranded DNA-binding proteins from Thermotoga maritima and Thermotoga neapolitana
PublikacjaBACKGROUND: In recent years, there has been an increasing interest in SSBs because they find numerous applications in diverse molecular biology and analytical methods.RESULTS: We report the characterization of single-stranded DNA binding proteins (SSBs) from the thermophilic bacteria Thermotoga maritima (TmaSSB) and Thermotoga neapolitana (TneSSB). They are the smallest known bacterial SSB proteins, consisting of 141 and 142 amino...
-
Titanium lanthanum three oxides decorated magnetic graphene oxide for adsorption of lead ions from aqueous media
PublikacjaThe current study presents a viable and straightforward method for synthesizing titanium lanthanum three oxide nanoparticles (TiLa) and their decoration onto the ferrous graphene oxide sheets to produce FeGO-TiLa as efficient magnetic adsorbent. Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and vibration sample magnetometer (VSM) were used to evaluate...
-
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...
-
Synthesis and Characterization of Monometallic (Ag, Cu) and Bimetallic Ag-Cu Particles for Antibacterial and Antifungal Applications
PublikacjaIn this paper, the experimental studies are concerned with the effect of the synthesis parameters on the formation of monometallic Ag and Cu nanoparticles (NPs). We consider the synthesis strategies verification for the bimetallic core-shell and alloy particles preparation. It was successfully obtained by chemical reduction method. The obtained colloidal solution is characterized by the transmission electron microscopy (TEM) with...
-
Perovskite-type KTaO3–reduced graphene oxide hybrid with improved visible light photocatalytic activity
PublikacjaNovel rGO–KTaO3 composites with various graphene content were successfully synthesized using a facile solvothermal method which allowed both the reduction of graphene oxide and loading of KTaO3 nanocubes on the graphene sheets. The as-prepared photocatalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX), Fourier...
-
Synthesis and properties of AxV2Al20 (A = Th, U, Np, Pu) ternary actinide aluminides
PublikacjaPolycrystalline samples of AxV2Al20 (A = Ce, Th, U, Np, Pu; 0.7 ≤ x ≤ 1.0) actinide intermetallics were synthesized using the arc-melting method. Crystal structure studies were performed by means of powder x-ray diffraction and the Rietveld refinement method. All studied compounds crystallize in the CeCr2Al20-type structure (space group Fd-3m, no. 227) with the actinoid and Ce atom located in the oversized icosahedral cage formed...
-
Surface modification of PMMA polymer and its composites with PC61BM fullerene derivative using an atmospheric pressure microwave argon plasma sheet
PublikacjaThis paper presents the results of experimental investigations of the plasma surface modification of a poly(methyl methacrylate) (PMMA) polymer and PMMA composites with a [6,6]-phenyl-C61-butyric acid methyl ester fullerene derivative (PC61BM). An atmospheric pressure microwave (2.45 GHz) argon plasma sheet was used. The experimental parameters were: an argon (Ar) flow rate (up to 20 NL/min), microwave power (up to 530 W), number...
-
FTIR, Raman spectroscopy and HT-XRD in compatibility study between naproxen and excipients
PublikacjaDetection of incompatibility between an active pharmaceutical ingredient (API) and excipients, including the selection of the most biopharmaceutical advantageous excipients is extremely important in the pre-formulation process of developing a solid dosage form technology. Therefore, having fast and reliable methods for identifying incompatibility is fundamental in pharmaceutical technology. For this purpose, combined Fourier transform...
-
Mono- and bimetallic (Pt/Cu) titanium(IV) oxide core–shell photocatalysts with UV/Vis light activity and magnetic separability
PublikacjaTitanium(IV) oxide is one of the most widely investigated photocatalysts. However, separation of nano-sized particulate titania might result in profitless technologies for commercial applications. Additionally, bare titania is almost inactive under the Vis range of solar spectrum due to its wide bandgap. Therefore, the present study aims to prepare novel coreinterlayer- shell TiO2 magnetic photocatalysts modified with metal nanoparticles...
-
PREPARATION AND CHARACTERIZATION OF CoFe2O4/TiO2-PANI HYBRID NANOCOMPOSITE WITH MAGNETIC AND PHOYOCATALYTIC ACTIVITY
PublikacjaHybrid nanocomposites consisting of inorganic component and organic conducting polymer are promising materials, which can be applied in heterogeneous photocatalysis. Titanium(IV) oxide is widely used photocatalysts due to its non-toxicity, low cost and chemical stability. The main disadvantage of TiO2 is low photocatalytic activity under visible light. Conducting polymers, also known as conjugated polymers are polymer materials...
-
Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
-
Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublikacjaAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
-
The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: III. Selection of X@C60 Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Trapped Neutral Atom Quantum Computing Devices
PublikacjaThe selection of guest atoms X of X@C60 MBBs for TBN of trapped neutral atom quantum computing devices is reported. Assuming the all-optical quantum computing as a final target stage, the two criteria are most important: the charge q accumulated on the C60 host must be as low as possible, and the atom X must have one or more available excited states within the band falling into the low energy window of neutral C60 molecule electronic...
-
New bulk liquid membrane oscillator composed of two coupled oscillators with diffusion-mediated physical coupling
PublikacjaA new type of bulk liquid membrane system, which represents the first example of a bulk liquid membrane oscillator characterised by the presence of two coupled oscillators, is described. When the benzyldimethyltetradecylammonium chloride surfactant undergoes an oscillatory mass transfer through a nitromethane liquid membrane, a new liquid layer (phase X) appears between the membrane and the acceptor phase. Kinetic analysis provides...
-
Establishing the allosteric mechanism in CRISPR‐Cas9
PublikacjaAllostery is a fundamental property of proteins, which regulates biochemical information transfer between spatially distant sites. Here, we report on the critical role of molecular dynamics (MD) simulations in discovering the mechanism of allosteric communication within CRISPR‐Cas9, a leading genome editing machinery with enormous promises for medicine and biotechnology. MD revealed how allostery intervenes during at least three...
-
Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublikacjaDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
-
Electron-impact ionization cross section of formic acid
PublikacjaExperimental electron-impact ionization cross sections of one of the simplest carboxylic acids, formic acid, are presented. The molecular target was studied in two independent experimental setups applying different methods: the total ion collection and the electron–impact mass spectrometry methods. Experimental data were taken at incident electron energies ranging from ionization threshold [11.31 eV; J.C. Traeger, Int. J. Mass...
-
Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublikacjaA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
-
Magnetically sensitive fiber probe with nitrogen-vacancy center nanodiamonds integrated in a suspended core
PublikacjaEfficient collection of photoluminescence arising from spin dynamics of nitrogen vacancy (NV) centers in diamond is important for practical applications involving precise magnetic field or temperature mapping. These goals may be realized by the integration of nanodiamond particles with optical fibers and volumetric doping of the particles alongside the fiber core. That approach combines the advantages of robust axial fixation of...
-
Preparation and Characterization of Defective TiO2. The Effect of the Reaction Environment on Titanium Vacancies Formation
PublikacjaAmong various methods of improving visible light activity of titanium(IV) oxide, the formation of defects and vacancies (both oxygen and titanium) in the crystal structure of TiO2 is an easy and relatively cheap alternative to improve the photocatalytic activity. In the presented work, visible light active defective TiO2 was obtained by the hydrothermal reaction in the presence of three different oxidizing agents: HIO3, H2O2, and...
-
Structural, magnetic and spectral properties of tetrahedral cobalt(II) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation
PublikacjaBlue crystals of five heteroleptic cobalt(II) silanethiolates 1–5 have been obtained by the reaction of [Co{SSi (tBuO)3}2(NH3)]2 with aminopyridines and aminomethylpyridines at an appropriate molar ratio and their structural, spectral, thermal and magnetic properties have been established and described. All complexes 1–5 contain Co(II) ions in a tetrahedral CoN2S2 environment formed by (tBuO)3SiS− residues and pyridines and present...