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Search results for: bulk solid
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Rubrene Thin Films with Viably Enhanced Charge Transport Fabricated by Cryo-Matrix-Assisted Laser Evaporation
PublicationAmong organic semiconductors, rubrene (RB; C42H28) is of rapidly growing interest for the development of organic and hybrid electronics due to exceptionally long spin diffusion length and carrier mobility up to 20 cm2V−1s−1 in single crystals. However, the fabrication of RB thin films resembling properties of the bulk remains challenging, mainly because of the RB molecule’s twisted conformation. This hinders the formation of orthorhombic...
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Magnetic field effects in dye-sensitized and organic solar cells
PublicationThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 194
Open Research DataThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 194, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 192
Open Research DataThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 192, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 191
Open Research DataThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 191, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 193
Open Research DataThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 193, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 190
Open Research DataThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 190, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Physical properties of homogeneous TiO2 films prepared by high power impulse magnetron sputtering as a function of crystallographic phase and nanostructure
PublicationOptical, photo-electrochemical, crystallographic and morphological properties of TiO2 thin films prepared by high power impulse magnetron sputtering at low substrate temperatures (<65 ◦C) without post-deposition thermal annealing are studied. The film composition-anatase, rutile or amorphous TiO2-is adjusted by the pressure (p ∼ 0.75-15 Pa) in the deposition chamber. The different crystallographic phases were determined with grazing...
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Local impedance imaging of boron-doped polycrystalline diamond thin films
PublicationLocal impedance imaging (LII) was used to visualise surficial deviations of AC impedances in polycrystalline boron-doped diamond (BDD). The BDD thin film electrodes were deposited onto the highly doped silicon substrates via microwave plasma-enhanced CVD. The studied boron dopant concentrations, controlled by the [B]/[C] ratio in plasma, ranged from 1 × 1016 to 2 × 1021 atoms cm−3. The BDD films displayed microcrystalline structure,...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublicationThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Superconductivity in a breathing kagome metals ROs2 (R = Sc, Y, Lu)
PublicationWe have successfully synthesized three osmium-based hexagonal Laves compounds ROs2 (R = Sc, Y, Lu), and discussed their physical properties. LeBail refinement of pXRD data confirms that all compounds crystallize in the hexagonal centrosymmetric MgZn2- type structure (P63/mmc, No. 194). The refined lattice parameters are a = b = 5.1791(1) Å and c = 8.4841(2) Å for ScOs2, a = b = 5.2571(3) Å and c = 8.6613(2) Å for LuOs2 and a =...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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High-temperature oxidation of the Crofer 22 H ferritic steel with Mn1.45Co1.45Fe0.1O4 and Mn1.5Co1.5O4 spinel coatings under thermal cycling conditions and its properties
PublicationThe aim of the presented study was to deposit protective-conducting Mn1.45Co1.45Fe0.1O4 and Mn1.5Co1.5O4 spinel coatings on the Crofer 22 H ferritic steel by means of electrophoresis and to evaluate their physicochemical properties after high-temperature oxidation under thermal cycling conditions. When the Crofer 22 H steel – whether uncoated or coated with the two spinels – was oxidized in 48-h cycles involving a temperature of...
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EFFECT OF SURFACE STATE AND STRESS ON AN OXIDATION OF THE ZIRCALOY-2 ALLOY
PublicationZr alloys are widely used as materials for nuclear fuel pellets in the nuclear industry. In the case of the LOCA or RIA happen, a temperature may locally reach high values. Even if the high temperature maintains shortly, the zirconium oxides may become permeable, absorb hydrogen appearing in cooling water from decomposition reaction and crack because of formation and brittle failure of hydrides. Such model cannot so far take into...
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Mechanical exfoliation and layer number identification of single crystal monoclinic CrCl3
PublicationAfter the recent finding that CrI3, displays ferromagnetic order down to its monolayer, extensive studies have followed to pursue new two-dimensional (2D) magnetic materials. In this article, we report on the growth of single crystal CrCl3 in the layered monoclinic phase. The system after mechanical exfoliation exhibits stability in ambient air (the degradation occurs on a time scale at least four orders of magnitude longer than...
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Niobate in silicate and phosphate glasses: Effect of glass basicity on crucible dissolution
PublicationUsing niobium crucibles for melting phosphate and silicate glasses of various modifier oxide contents, and therefore varying optical basicity (Λ), was found to result in varying dissolution rates of niobate during melting. Because of their high electronic polarizability, even small concentrations of niobates are detectable in the Raman spectra of glasses. Even less than 1 mol% Nb2O5 can be identified, as independently confirmed...
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On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
PublicationIn 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,...
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Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
PublicationPurpose Study on curcumin dissolved in natural deep eutectic solvents (NADES) was aimed at exploiting their beneficial properties as drug carriers. Methods The concentration of dissolved curcumin in NADES was measured. Simulated gastrointestinal fluids were used to determine the concentration of curcumin and quantum chemistry computations were performed for clarifying the origin of curcumin solubility enhancement in NADES. Results NADES...
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Modeling and optimization of chemical-treated torrefaction of wheat straw to improve energy density by response surface methodology
PublicationToday, torrefaction is important technique for extending the potential of biomass for improvement of energy density. The independent variables investigated for torrefaction study were temperature, retention time, acid concentration, and particle size. The experiment was designed by central composite design (CCD) method using design expert (version 11). The three dependent variables were higher heating value (HHV), energy enhancement...
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The optimisation of analytical parameters for routine profiling of antioxidants in complex mixture by HPLC coupled post-column derivatisation
PublicationIntroduction: The wide application of natural and artificial antioxidants in food, cosmetic and pharmaceutical industry as well as the recognition of the importance of food antioxidants for supporting human health created demand for reliable and industrially applicable methods of determining antioxidative activity. This requirement can be fullfilled with the recently proposed HPLC-post-column derivatisation approach enabling the...
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Radioactivity of drilling cuttings from shale resources of the Lower Paleozoic Baltic Basin, Poland
PublicationFractionated drilling wastes originating from shale gas exploration in the Baltic Basin in Pomerania were subjected to the measurements of mean activity concentrations of naturally occurring radioactive materials (NORMs).To better understand rock structure and texture, the X-ray diffraction analysis (XRD) and scanning electron microscopy(SEM) observation were used. To compare activity concentration of radionuclides in bulk wastes...
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Sustainable Chemically Modified Mater-Bi/Poly(ε-caprolactone)/Cellulose Biocomposites: Looking at the Bulk through the Surface
PublicationSustainable polymer composites are progressively under development in a technological paradigm shift from "just use more and more" to "convert into value-added products". The bio-based blends based on Mater-Bi bio-plastic (A) and poly(ε-caprolactone) (B), at a weight ratio of 70:30 (A:B) were developed, followed by the addition of UFC100 cellulose (C) filler to yield 70/30 (w/w) (A:B)/C sustainable biocomposites. The effects of...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublicationPolycrystalline 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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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublicationThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublicationThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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Mobile Security: Threats and Best Practices
PublicationCommunicating mobile security threats and best practices has become a central objective due to the ongoing discovery of new vulnerabilities of mobile devices. To cope with this overarching issue, the goal of this paper is to identify and analyze existing threats and best practices in the domain of mobile security. To this extent, we conducted a literature review based on a set of keywords. The obtained results concern recognizable...
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Structure and water uptake in BaLnCo2O6−δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy)
PublicationThe structure of BaLnCo2O6-δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy) was studied by the means of synchrotron radiation powder X-ray diffraction, neutron powder diffraction and Transmission Electron Microscopy (TEM), while water uptake properties were analysed with the use of thermogravimetry (TG) and water adsorption isotherms. The structure refinement revealed that the dominant phase in all compositions was orthorhombic with an ordering...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Advancing sustainable hybrid bitumen systems: A compatibilization solution by functionalized polyolefins for enhanced crumb rubber content in bitumen
PublicationPolymer waste pollution has a profound effect on the environment and, consequently, on the lifestyle of hu- mankind. The massive production and disposal of cross-linked polymers clearly exemplify the challenges of recycling. Increasing efforts are being undertaken to introduce recycled polymers, especially crumb rubber (CR), into asphalt formulations. Due to the rather poor processability and phase separation associated with CR- modified...
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Microwave radiation in the synthesis of urethane prepolymers
PublicationThis 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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YADE - An extensible framework for the interactive simulation of multiscale, multiphase, and multiphysics particulate systems
PublicationThis contribution presents the key elements of YADE, an extensible open-source framework for dynamic simulations. During the past 19 years, YADE has evolved from "Yet Another Dynamic Engine"' to a versatile multiscale and multiphysics solver, counting a large, active, and growing community of users and developers. The computationally intense parts of the source code are written in C++, using flexible object models that allow for...
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Anisotropic optical properties of few-layer black phosphorus coatings: from fundamental insights to opto-electrochemical sensor design
PublicationFew-layer black phosphorus (FLBP) is characterised by a tuneable bandgap, high carrier mobility and anisotropic optical properties. It therefore has the potential to find applications in electronics and photonics. FLBP oxidizes upon exposure to air, limiting its utility in devices and components. To address this issue, the thesis introduces methods and tools developed for studying FLBP's optical parameters, with a particular emphasis...
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Utilization of shale cuttings in production of lightweight aggregates
PublicationThe development of technologies for unconventional hydrocarbon exploration requires designing procedures to manage drilling waste that are consistent with the waste management hierarchy. In view of this, the possibility to apply shale drill cuttings as a prospective additive (replacing bentonite) to fly ash used for the production of lightweight aggregates (LWAs) was investigated. Moreover, a facile, waste-free method of LWAs production...
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Reliability of Corroded Stiffened Plate Subjected to Uniaxial Compressive Loading
PublicationThe work is focused on the reliability of corroded stiffened plates subjected to compressive uniaxial load based on the progressive collapse approach as stipulated by the Common Structural Rules for Bulk Carriers and Oil Tankers, employing the limit state design. Two different cases have been investigated. In the first model, the corrosion degradation led to uniform thickness loss, whereas the mechanical properties were unchanged,...
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Physicochemical and Mechanical Performance of Freestanding Boron-Doped Diamond Nanosheets Coated with C:H:N:O Plasma Polymer
PublicationThe physicochemical and mechanical properties of thin and freestanding heavy boron-doped diamond (BDD) nanosheets coated with a thin C:H:N:O plasma polymer were studied. First, diamond nanosheets were grown and doped with boron on a Ta substrate using the microwave plasma-enhanced chemical vapor deposition technique (MPECVD). Next, the BDD/Ta samples were covered with nylon 6.6 to improve their stability in harsh environments and...
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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The effect of Ag, Au, Pt, and Pd on the surface properties, photocatalytic activity and toxicity of multicomponent TiO2-based nanomaterials
PublicationMulticomponent TiO2-based nanomaterials (MC-NMs) show better physicochemical properties than their individual components or bulk materials. However, the same unique properties that offer innovative applications might also pose unknown risks to human health and the environment. In this context, TiO2- based nanomaterials with a mixture of noble metal precursors (Ag, Au, Pt, and Pd) for large-scale technological applications in air...
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A Study on Emission of Airborne Wear Particles from Car Brake Friction Pairs
PublicationThe emission of airborne wear particles from friction material / cast iron pairs used in car brakes was investigated, paying special attention to the influence of temperature. Five low-metallic materials and one non-asbestos organic material were tested using a pin-on-disc machine. The machine was placed in a sealed chamber to allow airborne particle collection. The concentration and size distribution of 0.0056 to 10 μm particles...
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Development, characterization and evaluation of composite adsorbent for the adsorption of crystal violet from aqueous solution: Isotherm, kinetics, and thermodynamic studies
PublicationThe purpose of this work focuses on the production and investigations of a new composite material as alternative low-cost adsorbent for the removal of crystal violet (CV) dye from waste solution. The production method was performed by in-situ thermal activation technology via extrusion process of polymer wastes containing tire rubber (50 wt%) and polyurethane foam (50 wt%) using single-screw extruder under processing temperature...
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Investigations of morphology and optical properties of thin films of TiOPc/PTCDA donor acceptor couple
PublicationPurpose: The aim of this work is studying surface topography and optical properties of organic thin films ofTiOPc and PTCDA blends deposited by thermal vacuum evaporation.Design/methodology/approach: Thin films of blends of organic materials are provided as donor/acceptorcouples in bulk heterojunction based organic solar cells. Thin films of TiOPc - PTCDA mixture have beendeposited by thermal vacuum evaporation from one source...
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Bioactive polyurethanes applied as a surgical implants
PublicationSynthetic materials are applied in many branches of the industry, i.a. in medicine as a casing of apparatus, elements of artificial organs (hearts, blood vessels), catheters, wound healings, intra aortic balloons, mammary implants to mention but a few. Polymeric material used in such applications must be distinguished by a good biocompatybility. Since many years extensive research are employed to develop a new polymers that can...
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Atmospheric deposition in coniferous and deciduous tree stands in Poland
PublicationThe objective of this study was to assess the transformation of precipitation in terms of quantity and chemical composition following contact with the crown layer in tree stands with varied species composition, to investigate the effect of four predominant forest-forming species (pine, spruce, beech, and oak) on the amount and composition of precipitation reaching forest soils, and to determine the sources of pollution in atmospheric...
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Sustainable chemically modified poly(butylene adipate-co-terephthalate)/thermoplastic starch/poly(ε-caprolactone)/cellulose biocomposites: looking at the bulk through the surface
PublicationSustainable polymer composites (or biocomposites) based on renewable and green polymers are progressively under development in a technological paradigm shift from “just use more and more” to “convert into value-added products”. Therefore, significant efforts should focus not only on their reduced environmental impact but also on maximizing their performance and broadening their application range. Herein, the bio-based blends based...
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Molecular level interpretation of excess infrared spectroscopy
PublicationInfrared (IR) spectroscopy is an invaluable tool in studying intermolecular interactions in solvent mixtures. The deviation of the IR spectrum of a mixture from the spectra of its pure components is a sensitive measure of the non-ideality of solutions and the modulation of intermolecular interactions introduced by mutual influence of the components. Excess IR spectroscopy, based on the established notion of excess thermodynamic...
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Highly antifouling polymer-nanoparticle-nanoparticle/polymer hybrid membranes
PublicationWe introduce highly antifouling Polymer-Nanoparticle-Nanoparticle/Polymer (PNNP) hybrid membranes as multi-functional materials for versatile purification of wastewater. Nitrogen-rich polyethylenimine (PEI)-functionalized halloysite nanotube (HNT-SiO2-PEI) nanoparticles were developed and embedded in polyvinyl chloride (PVC) membranes for protein and dye filtration. Bulk and surface characteristics of the resulting HNT-SiO2-PEI...
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Solvothermal growth of {0 0 1} exposed anatase nanosheets and their ability to mineralize organic pollutants. The effect of alcohol type and content on the nucleation and growth of TiO2 nanostructures
PublicationHerein, the series of {0 0 1} exposed anatase nanosheets from HF-assisted solvothermal growth synthesis were obtained. The two-dimensional TiO2 were characterized, including both bulk (XRD, DR-UV–Vis, Mott-Schottky) and surface characteristics (N2 sorption, XPS, SEM) with experimental results compiled with Density Functional Theory (DFT) calculations. The effect of alcohol amount and type was studied, demonstrating the crucial...
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Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublicationThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
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Why the solvation water around proteins is more dense than bulk water
PublicationThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
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Charge Transport in High-Entropy Oxides
PublicationThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
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A model for agribusiness supply chain risk management using fuzzy logic. Case study: Grain route from Ukraine to Poland
PublicationIn order to establish new logistics routes, it is necessary to address several technical and organizational issues, among others. One of the most important criteria for evaluating the performance of a supply chain is the delivery time, proactive consideration of potential hazards and associated uncertainties that may occur along the route. However, the existing solutions are often passive and reactive, based on statistics, thus...