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Wyniki wyszukiwania dla: shell structures
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Nanostructure and dielectric behavior of vanadate glasses containing BaTiO3
PublikacjaThe ac and dc electrical conductivity of barium titanate doped bismuth-vanadate as-quenched and heat-treated materials was measured in the frequency range from 1 mHz to 1 MHz and in the temperature range from 153 K to 423 K with the impedance spectroscopy method. The microstructure was investigated by means of XRD, scanning electron microscopy (SEM), atomic force microscopy (AFM) and confocal microscopy. The obtained results showed...
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Mono- and bi-metallic plasmonic photocatalysts for degradation of organic compounds under UV and visible light irradiation
PublikacjaTitania powders were surface modified with gold and/or silver nanoparticles (NPs) by photodeposition method. Gold modified titania exhibited much higher photocatalytic activity during methanol dehydrogenation under UV irradiation than titania modified with monometallic silver and bimetallic Au–Ag NPs. Bimetallic photocatalysts exhibited either enhanced or reduced visible light activity, depending on properties of noble metal NPs,...
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An isogeometric finite element formulation for boundary and shell viscoelasticity based on a multiplicative surface deformation split
PublikacjaThis work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system,which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff–Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface...
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A Novel Approach to Fully Nonlinear Mathematical Modeling of Tectonic Plates
PublikacjaThe motion of the Earth's layers due to internal pressures is simulated in this research with an efficient mathematical model. The Earth, which revolves around its axis of rotation and is under internal pressure, will change the shape and displacement of the internal layers and tectonic plates. Applied mathematical models are based on a new approach to shell theory involving both two and three-dimensional approaches. It is the...
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Thermal-Hydraulic Studies on the Shell-and-Tube Heat Exchanger with Minijets
PublikacjaIn this paper a patented design of a heat exchanger with minijets, with a cylindrical construction is presented. It is followed by the results of its systematic experimental investigations in the single-phase convection heat transfer mode. Based on these results, validation of selected correlations (coming from the literature) describing the Nusselt number was carried out. An assessment of the heat exchange intensification level...
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Simultaneous removal of heavy metals and dyes in water using a MgO-coated Fe3O4 nanocomposite: Role of micro-mixing effect induced by bubble generation
PublikacjaThis study focused on the development of a nano-adsorbent for contaminant removal without the use of any external energy. An eco-friendly Fe3O4@MgO core-shell nanocomposite was synthesized and tested for the removal of a heavy metal, lead (Pb2+) and a dye, rhodamine B (RhB). The addition of H2O2 into the system enabled the self-mixing of the aqueous solution containing Fe3O4@MgO through the generation of bubbles. This system showed...
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Investigation and operation problems of metal tanks in Poland
PublikacjaThe paper consists of three parts concerned with steel cylindrical, vertical tank for liquid fuel. In the first part the present trends in tank design and building in Poland are described. The main are: · reduction of environment contamination danger caused by tank leakage and hydrocarbons evaporation, · increasing capacity of new tanks (100000 m3 and more) due to economic factor - reduction of steel amount per m3 of storage capacity....
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Design and numerical testing of 5-box gfrp shell footbridge
PublikacjaThe paper formulates new design conditions for composite footbridges, taking into account the material and structural specificity of these objects, i.e. the strength condition, the serviceability condition and the frequency condition. A GFRP composite footbridge labelled with CFB2 code has been designed, with the original superstructure in the form of an opened-closed 5-box girder. The foot and cycle track bridge is simply supported,...
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Collision Strengths of Astrophysical Interest for Multiply Charged Ions
PublikacjaThe electron impact excitation and ionization processes are crucial for modeling the spectra of different astrophysical objects, from atmospheres of late-type stars to remnants of supernovae and up to the light emission from neutron star mergers, to name just a few. Despite their signifi- cance, however, little is known quantitatively about these processes for low- and medium-impact energies of, say, Ekin . 5000 eV of the free...
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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Hydration of Oxometallate Ions in Aqueous Solution
PublikacjaThe strength of hydrogen bonding to and structure of hydrated oxometallate ions in aqueous solution have been studied by double difference infrared (DDIR) spectroscopy and large-angle X-ray scattering (LAXS), respectively. Anions are hydrated by accepting hydrogen bonds from the hydrating water molecules. The oxygen atom of the permanganate and perrhenate ions form weaker and longer hydrogen bonds to water than the hydrogen bonds...
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The effect of calcination temperature on structure and photocatalytic properties of Au/Pd nanoparticles supported on TiO2
PublikacjaBimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. We show the effect of calcination temperature (from 350 to 700°C) on the structure and the photocatalytic properties of Au/Pd-modified TiO2. The composition of the bimetallic Au/Pd nanoparticles in relation to their...
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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
PublikacjaTitanium-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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Size Exclusion Coupled to Reversed Phase Liquid Chromatography for the Characterization of Cranberry Products
PublikacjaA combination of solvent extraction, size exclusion purification, and reversed-phase liquid chromatography with UV absorption and fluorescence detection was here used for the determination of flavan-3-ols and related oligomeric compounds in cranberry products. The method relied on robust, simple, and inexpensive instrumental equipment present in most of routine analytical laboratories. Sample extracts in methanol/water/hydrochloric...
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Determination of flavanols by liquid chromatography with fluorescence detection. Application to the characterization of cranberry-based pharmaceuticals through profiling and fingerprinting approaches
PublikacjaIn this work, a new method based on reversed-phase high-performance liquid chromatography (HPLC) with fluorescence detection (FLD) was established for the determination of catechins and related oligomeric proanthocyanidins (PACs) in cranberry-based pharmaceuticals. Compounds were recovered by liquid extraction using methanol/water/hydrochloric acid (60:39:1, v:v:v) as the extraction solvent. The chromatographic separation was carried...
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Influence of silver-core gold-shell nanoparticle parameters on the variation of surface-enhanced Raman spectra
PublikacjaThe detection of molecules by surface-enhanced Raman spectroscopy (SERS) is dependent on the nanomaterial used to induce the enhancement effect. This depends on a variety of parameters of the substrate such as the metal used for their creation, their shape, size and size distribution, concentration, as well as the parameters of the solution, such as packing of the nanoparticles, the complexity of the sample, the solvent, etc. It...
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Thermo-oxidative exfoliation of carbon black from ground tire rubber as potential reinforcement in green tires
PublikacjaConsidering the balance between rapidly growing global tire demand and scarcity of natural resources, recycling and reclaiming techniques of tire rubber have become the state of the art. Herein, we set out to implement a self-designed thermo-oxidative reactor for the exfoliation of carbon black (CB) from ground tire rubber, which is efficiently functioned under a thermo-oxidative reclaiming condition without any additive. The exfoliation...
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublikacjaMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
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Multi-functional monodispersed SiO2-TiO2 core-shell nanostructure and TEOS in the consolidation of archaeological lime mortars surfaces
PublikacjaArchaeological traditional lime mortars are susceptible to many environmental conditions such as the impact of water (rain, humidity, groundwater, etc.), variation of temperatures' degrees, wind and/or pollution. Accordingly, this research aims to provide newly assessed multifunctional Nano-coating for the purpose of archaeological lime mortar protection. For this, the study combined physicochemical and mechanical characterizations...
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Unique agreement of experimental and computational infrared spectroscopy: a case study of lithium bromide solvation in an important electrochemical solvent
PublikacjaInfrared (IR) spectroscopy is a widely used and invaluable tool in the studies of solvation phenomena in electrolyte solutions. Using state-of-the-art chemometric analysis of a spectral series measured in a concentration-dependent manner, the spectrum of the solute-affected solvent can be extracted, providing a detailed view of the structural and energetic states of the solvent molecules influenced by the solute. Concurrently,...
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Nonlinear material identification of heterogeneous isogeometric Kirchhoff–Love shells
PublikacjaThis work presents a Finite Element Model Updating inverse methodology for reconstructing heterogeneous materialdistributions based on an efficient isogeometric shell formulation. It uses nonlinear hyperelastic material models suitable fordescribing incompressible material behavior as well as initially curved shells. The material distribution is discretized by bilinearelements such that the nodal values...
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Unlocking the electrochemical performance of glassy carbon electrodes by surface engineered, sustainable chitosan membranes
PublikacjaChitosan coatings, derived from crustacean shell waste, possess inherent biocompatibility and biodegradability, rendering them suitable for various biomedical and environmental applications, including electrochemical biosensing. Its amine and hydroxyl functional groups offer abundant sites for chemical modifications to boost the charge transfer kinetics and provide excellent adhesion, enabling the construction of robust electrode-coating...
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A New Approach of Solidification Analysis in Modular Latent Thermal Energy Storage Unit Based on Image Processing
PublikacjaThe solidification process of RT18HC in a cylindrical shell and tube storage unit has been studied using a new methodology based on image processing. The main idea of the algorithm is to label the region of solidification and use statistical functions to calculate the dimensions of the solidification front over time. Said analysis includes two methods. The first method is to measure the solid fraction changes during solidification....
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Thermal and economic investigation of straight and U-bend double tube heat exchanger with coiled wire turbulator
PublikacjaExperimental research has been carried out for four individual heat exchanger constructions, i.e., plain double tube, turbulized double tube, plain U-bend and U-bend with turbulator. Tests were made for the water-water system. The study covered a wide measuring range, i.e., Re = 800–9000 – on the shell side, for a constant cold water temperature of 9 ◦C and hot water of 50 ◦C. The heat exchangers were made from copper tubes with...
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Titania nanotubes modified by a pyrolyzed metal-organic framework with zero valent iron centers as a photoanode with enhanced photoelectrochemical, photocatalytical activity and high capacitance
PublikacjaThe paper discusses the synthesis, photoelectrochemical and electrochemical behaviour of titania nanotube arrays modified by a pyrolyzed metal-organic framework (MOF). A poly(3,4–ethylenedioxyphene) (PEDOT) matrix with an embedded inorganic network of iron hexacyanoferrate (BP) covering TiO2 nanotubes (TNT) is used as a MOF for the further sintering procedure, resulting in a novel, thin film of carbonaceous wrap supported Fe catalytic...
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Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublikacjaUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
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Fe3–xInSnxO6 (x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
PublikacjaThree new double corundum derivative compounds, Fe3−xInSnxO6 (x = 0. 0.25, or 0.5), were synthesized at high pressure and temperature (6 GPa and 1400− 1450 °C). All of the compounds order antiferromagnetically well above room temperature (TN = 608, 532, and 432 K for x = 0, 0.25, and 0.5, respectively). The x = 0 phase crystallizes as centrosymmetric R3̅c, but the inclusion of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize...
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Increasing the conductivity of V2O5-TeO2 glass by crystallization: structure and charge transfer studies
PublikacjaIn the present paper, V 2 O 5 -TeO 2 glass was prepared by the melt-quenching technique. Crystallization of glass with a vanadium content higher than 35%mol results in an increase in electrical conductivity by a few orders of magnitude and a decrease in activation energy from ~0.40 to ~0.12 eV. In this work, a critical review of existing charge transfer models was presented on the example of V 2 O 5 -TeO 2 glass and glass–ceramics....
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Feasibility study of a Raman spectroscopic route to drug detection
PublikacjaWe present an surface-enhanced Raman spectroscopy (SERS) approach for detection of drugs of abuse in whole human blood. We utilize a near infrared laser with 830 nm excitation wavelength in order to reduce the influence of fluorescence on the spectra of blood. However, regular plasmon resonance peak of plasmonic nanoparticles, such as silver or gold fall in a much lower wavelength regime about 400 nm. Therefore, we have shifted...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublikacjaOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein
PublikacjaThe dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties...
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Applicability of edible Candelilla wax composite blended with Bryophyllumpinnatum extract to prolong shelf life of fruits/vegetables
PublikacjaCandelilla wax (CW) is a natural lipid source that can be used to make biodegradable and edible coatings and films for fruits. However, CW alone does not provide sufficient antimicrobial and antioxidant properties to prevent microbial spoilage and oxidative deterioration of fresh products. This study aims at evaluating the applicability of CW blended with Bryophyllum pinnatum extract (BPE), a plant with medicinal and phytochemical...
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N-doped graphene quantum dot-decorated MOF-derived yolk-shell ZnO/NiO hybrids to boost lithium and sodium ion battery performance
PublikacjaSurface engineering at the nanoscale to obtain robust interface between metal oxides and quantum dots is essential for improving the performance and stability of battery materials. Herein, we designed and prepared novel N-doped graphene quantum dot-modified ZnO/NiO anode materials with a well-defined yolk-shell structure for lithium and sodium-ion batteries. NG QDs were assembled on the ZnO/NiO microspheres using three different...
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublikacjaInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Experimental investigation of thermal energy storage in shell-and-multi-tube unit with nano-enhanced phase change material
PublikacjaThis paper deals with thermal energy storage with use of nanoparticle enhanced phase change material in shell-and-multitube unit. The experiments are conducted under atmospheric pressure. Paraffin wax and two different fatty acids are used as base phase change material. Graphite and multi-walled carbon nanotubes serve as nanoparticles. Graphite nanoparticles are tested at the concentrations of 0.1%, 1% and 5% by weight, while multi-walled...
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Emerging anticancer activity of candidal glucoseamine-6-phosphate synthase inhibitors upon nanoparticle-mediated delivery
PublikacjaNumerous glutamine analogues have been reported as irreversible inhibitors of the glucosamine-6-phosphate (GlcN-6-P) synthase in pathogenic Candida albicans in the last 3.5 decades. Among the reported inhibitors, the most effective N3-(4-methoxyfumaroyl)-L-2,3- diaminopropanoic acid (FMDP) has been extensively studied in order to develop its more active analogues. Several peptide−FMDP conjugates were tested to deliver FMDP to its...
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Tubular House - Form Follows Technology, Concrete Shell Structure with Inner Thermal Insulation
PublikacjaThe aim of this paper is the theoretical analysis of the possibilities and limitations of using an unconventional technology and the original architectural form stemming from it – the building with external construction and internal insulation. In Central European climatic conditions, the traditional solution for the walls of heated buildings relies on using external thermal insulation. This stems from building physics: it prevents...
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Applications of Tensor Analysis in Continuum Mechanics
PublikacjaA tensor field is a tensor-valued function of position in space. The use of tensor fields allows us to present physical laws in a clear, compact form. A byproduct is a set of simple and clear rules for the representation of vector differential operators such as gradient, divergence, and Laplacian in curvilinear coordinate systems. The tensorial nature of a quantity permits us to formulate transformation rules for its components...
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Microseismic Monitoring of Hydraulic Fracturing - Data Interpretation Methodology With an Example from Pomerania
PublikacjaMicroseismic monitoring is a method for localizing fractures induced by hydraulic fracturing in search for shell gas. The data is collected from an array of geophones deployed on the surface or underground. Ground vibrations are recorded and analysed for fracture location, magnitude and breakage mechanism. For successful microseismic monitoring one need a velocity model of underlying formations. The model is further tuned with...
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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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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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Chitosan-coated coconut shell composite: A solution for treatment of Cr(III)-contaminated tannery wastewater
PublikacjaTannery industry generates a large amount of Cr(III)-contaminated wastewater daily. Unless properly treated, not only this effluent contaminates the water body, but also damages the environment and threatens public health. This batch study investigates the feasibility of chitosan-coated coconut shells as a low-cost material for removing Cr(III) from tannery wastewater. Both chitosan and coconut shell (CS) waste are abundantly available...
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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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Development of biocompatible iron oxide-silicon oxide core-shell nanoparticles as subcellular delivery platform for glucosamine-6-phosphate synthase inhibitors
PublikacjaIn order to develop the preparation of iron oxide-silica coreshell nanoparticles (CSNPs), thesis deeply explores the cetyltrimethylammonium (CTA+) directed silica coating methods of the oleic-acid capped iron oxide nanoparticles (OA-IONPs) initialized under near-neutral pH conditions. It is demonstrated that the initial alkaline hydrolysis of ethyl acetate in the presence of CTA+ and OA-IONPs induces an unusual ligand exchange...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublikacjaN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Load Testing of GFRP Composite U-Shape Footbridge
PublikacjaThe paper presents the scope of load tests carried out on an innovative shell composite footbridge. The tested footbridge was manufactured in one production cycle and has no components made from materials other than GFRP laminates and PET foam. The load tests, performed on a 14-m long structure, were the final stage of a research program in the Fobridge project carried out in cooperation with: Gdańsk University of Technology (leader),...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublikacjaCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
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Geometrically nonlinear analysis of shells - Benchmark problems for Autocad Robot Analysis Professional
PublikacjaThe aim of this work is to verify the suitability of commercial engineering software for geometrically nonlinear analysis of shells. This paper deals with the static, geometrically nonlinear analysis of shells made of an isotropic material. The Finite Element Method (FEM) is chosen to solve the problem. The results of the commercial software Autocad Robot Structural Analysis Professional (ARSAP) are compared with the litera-ture...
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Posttraumatic Orbital Emphysema: A Numerical Model
PublikacjaOrbital emphysema is a common symptom accompanying orbital fracture. The pathomechanism is still not recognized and the usually assumed cause, elevated pressure in the upper airways connected with sneezing or coughing, does not always contribute to the occurrence of this type of fracture. Observations based on the finite model (simulating blowout type fracture) of the deformations of the inferior orbital wall after a strike in...