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Search results for: GAN · DENSITY FUNCTIONAL THEORY · ELECTRONIC PROPERTIES · MAGNETIC PROPERTIES · SPINTRONIC DEVICES
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Poly(ε-Caprolactone)/Poly(Lactic Acid) Blends Compatibilized by Peroxide Initiators: Comparison of Two Strategies
PublicationPoly(ε-caprolactone) (PCL) and poly(lactic acid) (PLA) blends were compatibilized by reactive blending and by copolymers formed during reaction in the solution. The reactive blending of PCL/PLA was performed using di-(2-tert-butyl-peroxyisopropyl)benzene (BIB) or dicumyl peroxide (DCP) as radical initiator. PCL-g-PLA copolymers were prepared using 1.0 wt. % of DCP or BIB via reaction in solution, which was investigated through...
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Experimental study on the effect of selected sterilization methods on mechanical properties of polylactide FFF specimens
PublicationPurpose: Biodegradable polymers are widely used in personalized medical devices or scaffolds for tissue engineering. The manufacturing process should be finished with sterilization procedure. However, it is not clear how the different sterilization methods have an impact on the mechanical strength of the three-dimensional (3D)-printed parts, such as bone models or personalized mechanical devices. This paper aims to present the...
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Merging Images From Parallel Depth Cameras
PublicationIn this paper a problem of simultaneous information acquisition from multiple depth cameras is investigated, aiming at obtaining single overall picture containing information from all cameras. The experiments are carried out on Microsoft Kinect devices. A methodology for merging images from multiple positioned in a line cameras is proposed. The method is based on the concept of simulating a view of an imaginary camera covering...
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Merging Images from Parallel Depth Cameras
PublicationIn this paper a problem of simultaneous information acquisition from multiple depth cameras is investigated, aiming at obtaining single overall picture containing information from all cameras. The experiments are carried out on Microsoft Kinect devices. A methodology for merging images from multiple positioned in a line cameras is proposed. The method is based on the concept of simulating a view of an imaginary camera covering...
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Relationship between heart rate variability, blood pressure and arterial wall properties during air and oxygen breathing in healthy subjects
PublicationPrevious studies reported that normobaric hyperoxia influences heart rate, arterial pressure, cardiac output and systemic vascular resistance, but the mechanisms underlying these changes are still not fully understood. Several factors are considered including degeneration of endothelium-derived nitric oxide by reactive oxygen species, the impact of oxygen-free radicals on tissues and alterations of autonomic nervous system function....
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Support for argument structures review and assessment
PublicationArgument structures are commonly used to develop and present cases for safety, security and for other properties of systems. Such structures tend to grow excessively, which causes problems with their review and assessment. Two issues are of particular interest: (1) systematic and explicit assessment of the compelling power of an argument, and (2) communication of the result of such an assessment to relevant recipients. The paper...
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Central-force decomposition of spline-based modified embedded atom method potential
PublicationCentral-force decompositions are fundamental to the calculation of stress fields in atomic systems by means of Hardy stress. We derive expressions for a central-force decomposition of the spline-based modified embedded atom method (s-MEAM) potential. The expressions are subsequently simplified to a form that can be readily used in molecular-dynamics simulations, enabling the calculation of the spatial distribution of stress in...
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A finite element analysis of thermal energy inclination based on ternary hybrid nanoparticles influenced by induced magnetic field
PublicationThe use of hybrid nanoparticles to improve thermal processes is a key method that has implications for a variety of interventions utilized in many sectors. This paper aimed to look into the impacts of ternary nanoparticles on hyperbolic tangent materials to establish their thermal characteristics. Flow describing equations have been explored in the presence of heat production, non-Fourier heat flux, and an induced magnetic field....
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Effect of Axial Porosities on Flexomagnetic Response of In-Plane Compressed Piezomagnetic Nanobeams
PublicationWe investigated the stability of an axially loaded Euler–Bernoulli porous nanobeam considering the flexomagnetic material properties. The flexomagneticity relates to the magnetization with strain gradients. Here we assume both piezomagnetic and flexomagnetic phenomena are coupled simultaneously with elastic relations in an inverse magnetization. Similar to flexoelectricity, the flexomagneticity is a size-dependent property. Therefore,...
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Functionalized nanodiamonds as a perspective green carbo-catalyst for removal of emerging organic pollutants
PublicationRapid industrial and urban development jointly with rising global population strongly affect the large-scale issues with drinking, groundwater, and surface water pollution. Concerns are not limited to environmental issues but also human health impact becoming serious global aspect. Organic pollution becomes a primarily serious hazard, therefore, the novel sophisticated approaches to treat them are thoroughly investigated. Among...
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Soft-mode enhanced type-I superconductivity in LiPd2Ge
PublicationThe synthesis, crystal structure, and physical properties (magnetization, resistivity, heat capacity) in combination with theoretical calculations of the electronic structure and phonon properties are reported for intermetallic compounds LiPd2X (X = Si, Ge, and Sn). LeBail refinement of powder x-ray diffraction data confirms that all compounds belong to the Heusler family (space group Fm-3m, No. 225). The lattice parameter increases...
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Predicting Performance of Lightweight Concrete with Granulated Expanded Glass and Ash Aggregate by Means of Using Artificial Neural Networks
PublicationLightweight concrete (LWC) is a group of cement composites of the defined physical, mechanical, and chemical performance. The methods of designing the composition of LWC with the assumed density and compressive strength are used most commonly. The purpose of using LWC is the reduction of the structure’s weight, as well as the reduction of thermal conductivity index. The highest possible strength, durability and low thermal conductivity...
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CGO FILMS ON YSZ ELECTROLYTE FABRICATED BY SPRAY PYROLYSIS FOR SOFC
PublicationINTRODUCTION Solid oxide fuel cells are one of the fastest developing energy converters. The advancement introduced by research community provides steady state progress is stability and performance of the fuel cells. Significant influence on the cell’s performance and stability is related to cell design. The simplest design just consists of an anode, a solid electrolyte and a cathode. However, in order to improve the properties,...
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Recent Advances in Polymer Nanocomposites: Unveiling the Frontier of Shape Memory and Self-Healing Properties—A Comprehensive Review
PublicationShape memory and self-healing polymer nanocomposites have attracted considerable attention due to their modifiable properties and promising applications. The incorporation of nanomaterials (polypyrrole, carboxyl methyl cellulose, carbon nanotubes, titania nanotubes, graphene, graphene oxide, mesoporous silica) into these polymers has significantly enhanced their performance, opening up new avenues for diverse applications. The...
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Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2=CFCl) initiated by OH radicals
PublicationThe atmospheric degradation of chlorotrifluoroethylene (CTFE) by OH˙ was investigated using density functional theory (DFT). The potential energy surfaces were also defined in terms of single-point energies derived from the linked cluster CCSD(T) theory. With an energy barrier of −2.62 to −0.99 kcal mol−1 using the M06-2x method, the negative temperature dependence was determined. The OH˙ attack on Cα and Cβ atoms (labeled pathways...
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A DFT+U study of carbon nanotubes under influence of a gate voltage
PublicationA possibility of appearance of antiferromagnetic ordering in armchair carbon nanotubes and graphene is studied using density functional theory within a DFT+U approach. It is shown that the Coulomb repulsion between electrons in the -orbitals of graphene would need to reach a threshold value of ,...
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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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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublicationA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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Nanokrystaliczne warstwy ceramiczne otrzymywane metodą pirolizy aerozolowej w tlenkowych ogniwach paliwowych
PublicationNiniejsza rozprawa doktorska dotyczy badań materiałów wytwarzanych w postaci cienkich, nanokrystalicznych warstw ceramicznych metodą pirolizy aerozolowej dla zastosowań w tlenkowych ogniwach paliwowych (SOFC). Badane są trzy możliwe obszary zastosowań wytwarzanych warstw tj. osadzanie powłok ochronnych na stalowych interkonektorach dostarczających gazy do elektrody tlenowej, wytwarzanie bariery ochronnej zapobiegającej dyfuzji...
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Inseparability criteria based on matrices of moments
PublicationInseparability criteria for continuous and discrete bipartite quantum states based on moments of annihilationand creation operators are studied by developing the idea of Shchukin-Vogel criterion Phys. Rev. Lett. 95,230502 2005. If a state is separable, then the corresponding matrix of moments is separable too. Thus, wederive generalized criteria based on the separability properties of the matrix of moments. In particular, acriterion...
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Charge-based deep level transient spectroscopy of B-doped and undoped polycrystalline diamond films
PublicationThe undoped and B-doped polycrystalline diamond thin film was synthesized by hot filament chemical vapor deposition and microwave plasma, respectively. The structural characterization was performed by scanning electron microscopy, X-ray diffraction and Raman spectroscopy. The electrical properties of synthesized diamond layer were characterized by dc-conductivity method and charge deep level transient spectroscopy. The B-doped...
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Ultrasonic spectroscopy of silicon single crystal
PublicationSpecimens of Si single crystals with different crystal orientation [100] and [110] were studied by the electro-ultrasonic spectroscopy (EUS) and Resonant Ultrasonic Spectroscopy (RUS). A silicon single crystal is an anisotropic crystal, so its properties are different in different directions in the material relative to the crystal orientation. EUS is based on interaction of two signals: electric AC signal and ultrasonic signal,...
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Approximate Cramér–Rao bound on Doppler error in correlation-processing relatively narrowband noise radar
PublicationThe paper studies limitations on accuracy of Doppler estimation in continuous-wave noise radar with correlation processing. Second order properties of output of the correlation receiver are evaluated and an approximate Cram´er-Rao bound on errors of Doppler measurement is derived. The accuracy of Doppler measurements is found to be affected by the following factors: power spectral density of noise signal, frequency response of the...
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Highly sensitive large strain cellulose/multiwalled carbon nanotubes (MWCNTs)/thermoplastic polyurethane (TPU) nanocomposite foams: From design to performance evaluation
PublicationAerogel-based polymer composite foams are promising for large strain piezoresistive sensors, but their aerogel skeleton is partially destroyed during the foaming process, limiting their sensitivity. Herein, the thermoplastic polyurethane was synthesized on the aerogel skeleton to obtain cellulose/multiwalled carbon nanotubes (MWCNTs)/thermoplastic polyurethane (TPU) nanocomposite materials foamed with the aid of supercritical carbon...
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublicationMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
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Recent advances on magnetic carbon-related materials in advanced oxidation processes of emerging pollutants degradation
PublicationRecently, carbon-related materials have been proposed to improve the charge separation of the photogenerated carriers in the semiconductor matrices’ and surface properties. Carbon-related materials may act as co-catalysts, enhancing the pollutants adsorption on the surface, improving the charge carriers separation and photocatalyst stability and providing more active centres for photocatalytic reactions. This review summarizes...
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Analysis of Properties of an Active Linear Gesture Sensor
PublicationBasic gesture sensors can play a significant role as input units in mobile smart devices. However, they have to handle a wide variety of gestures while preserving the advantages of basic sensors. In this paper a user-determined approach to the design of a sparse optical gesture sensor is proposed. The statistical research on a study group of individuals includes the measurement of user-related parameters like the speed of a performed...
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Experimentally feasible semi-device-independent certification of four-outcome positive-operator-valued measurements
PublicationRecently the quantum information science community devoted a lot of attention to the theoretical and practical aspects of generalized measurements, the formalism of all possible quantum operations leading to acquisition of classical information. On the other hand, due to imperfections present in quantum devices, and limited thrust to them, a trend of formulating quantum information tasks in a semi-device-independent manner emerged....
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Automated Valuation Model based on fuzzy and rough set theory for real estate market with insufficient source data
PublicationObjective monitoring of the real estate value is a requirement to maintain balance, increase security and minimize the risk of a crisis in the financial and economic sector of every country. The valuation of real estate is usually considered from two points of view, i.e. individual valuation and mass appraisal. It is commonly believed that Automated Valuation Models (AVM) should be devoted to mass appraisal, which requires a large...
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Effects of n-butanol presence, inlet loading, empty bed residence time and starvation periods on the performance of a biotrickling filter removing cyclohexane vapors from air
PublicationThis paper presents the results of investigations on the removal of cyclohexane vapors from air using a peat-perlite packed biotrickling filter. Effects of basic process parameters i.e. IL (inlet loading) and EBRT (empty bed residence time) as well as introduction of n-butanol to the treated air stream and starvation periods on the process performance were evaluated. The results show that the introduction of hydrophilic n-butanol...
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Applicability of an effective conductivity approach in modeling thoracic impedance changes
PublicationThis paper describes numerical simulations of the influence of conductivity changes inside a volume conductor on impedance changes measured on its surface. A simple model based on the finite element method has been developed to estimate an applicability of the effective conductivity theory in human chest modeling. The model consisted of a cylinder with two concentric spheres inside. Simulations were performed for two cases: first...
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Exact resultant equilibrium conditions in the non-linear theory of branching and self-intersecting shells
PublicationWe formulate the exact, resultant equilibrium conditions for the non-linear theory of branching and self-intersecting shells. The conditions are derived by performing direct through-the-thickness integration in the global equilibrium conditions of continuum mechanics. At each regular internal and boundary point of the base surface our exact, local equilibrium equations and dynamic boundary conditions are equivalent, as expected,...
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An analysis of observability and detectability for different sets of measured outputs - CSTR case study
PublicationA problem of proving the observability/detectability at a given measured output for non-linear biochemical systems has been addressed in this paper. A theory of indistinguishable state trajectories has been used to prove the properties of the observability or detectability of this system. It is related to taking system dynamics into consideration depending on initial conditions and the impact of inputs taking into account a given...
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The interaction parameters for solutions of n-butylurea in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 K and 308.15 K
PublicationDensities and speed of sound were measured for solutions of n-butylurea in aqueous solution of Nmethylacetamide 2, 4, 6 and 8 (mol/kg) at T = (288.15, 298.15 and 308.15) K. From these data the apparent molar volumes, Vf, the apparent molar isentropic compressions, KSf, of the solute were determined. The concentration dependencies of the calculated quantities have been used to obtain the standard partial molar parameters. The latter...
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Isolation of the GFA1 gene encoding glucosamine-6-phosphate synthase of Sporothrix schenckii and its expression in Saccharomyces cerevisiae
PublicationGlucosamine-6-phosphate synthase (GlcN-6-P synthase) is an essential enzyme involved in cell wall biogenesis that has been proposed as a strategic target for antifungal chemotherapy. Here we describe the cloning and functional characterization of Sporothrix schenckii GFA1 gene which was isolated from a genomic library of the fungus. The gene encodes a predicted protein of 708 amino acids that is homologous to GlcN-6-P synthases...
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Thermally tuneable optical and electrochemical properties of Au-Cu nanomosaic formed over the host titanium dimples
PublicationAu-Cu nanostructures offer unique optical and catalytic properties unlike the monometallic ones resulting from the specific interaction. Among others, they have the ability to exhibit surface plasmon resonance, electrochemical activity towards the oxygen and hydrogen evolution reaction (OER, HER) as well as improved photoresponse in relation to monometalic but those properties depend highly on the substrate where bimetallic structures...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublicationPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Thermal and physical properties of ZrO2–AlO(OH) nanopowders synthesised by microwave hydrothermal method
PublicationIndustrially relevant nanopowder was synthesised by microwave hydrothermal synthesis to obtain well-controlled composition (ZrO2–AlO(OH) system) which was found to determine a number of physical and thermal characteristics. This study reports variation of particle size, density, specific surface area (SSABET), as well as thermal behaviour of nanopowder mixtures of ZrO2–AlO(OH) in the whole range of compositions. It was found that...
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Experimental and Numerical Investigation of Mechanical Properties of Lightweight Concretes (LWCs) with Various Aggregates
PublicationHigh requirements for the properties of construction materials and activities directed at environment protection are reasons to look for new solutions in concrete technology. This research was directed at solutions affecting the reduction of energy consumption and CO2 emissions. The use of lightweight concretes (LWCs) allows one to meet both conditions at the same time. The purpose of the research presented in this paper was to...
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Modeling the application of steel slag in stabilizing expansive soil
PublicationThe objective of this study was to evaluate the suitability of steel slag as an additive to the engineering properties of weak clay soil. Different geotechnical laboratory tests were conducted on both stabilized and natural soils. Steel slag (SS) was added at a rate of 0, 5, 10, 15, 20, and 25% to the soil. Specific gravity, grain size analysis, Atterberg limit test, compaction test, free swell, California bearing ratio (CBR),...
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Effect of slag coal ash and foamed glass on the mechanical properties of two-stage concrete
PublicationTwo-stage concrete (TSC) is known by various names such as colcrete, Polcrete, preplaced aggregate concrete and prepacked concrete. It is different from traditional concrete in two fundamental ways, namely method of construction and mix proportion. Two-stage concrete (TSC) is defined as firstly, coarse aggregates are placed into the formwork and grout is applied to fill in the between coarse aggregate particles voids. Secondly,...
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Diagnostyka ultradźwiękowa mostowej belki prefabrykowanej typu T metodą młoteczkową
PublicationZastosowanie prefabrykacji w budowie obiektów mostowych pozwala optymalizować zużycie energii i materiałów i tym samym redukować koszty budowanego obiektu. Prefabrykowane belki sprężone mogą występować jako elementy kablobetonowe wykonywane bezpośrednio na placu budowy lub powstawać w zakładzie prefabrykacji jako elementy strunobetonowe. Elementy prefabrykowane wytwarzane w warunkach przemysłowych muszą spełniać wymagania wysokiej trwałości,...
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Nucleation and growth of CVD diamond on fused silica optical fibres with titanium dioxide interlayer
PublicationNucleation and growth processes of thin diamond films on fused silica optical fibres have been investigated. Fibres were coated with diamond film using microwave plasma enhanced chemical vapour deposition (µPE CVD) system. Since the growth of diamond on the fused silica glass requires high seeding density, two types of glass pre-treatment were applied: titanium dioxide (TiO2) interlayer deposition and sonication in nanodiamond...
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Cell Density-Dependent Cytological Stage Profile and Its Application for a Screen of Cytostatic Agents Active Toward Leukemic Stem Cells
PublicationProliferation and expansion of leukemia is driven by leukemic stem cells (LSCs). Multidrug resistance (MDR) of LSCs is one of the main reasons of failure and relapses in acute myeloid leukemia (AML) treatment. In this study, we show that maintaining HL-60 at low cell culture density or applying a 240-day treatment with anthrapyridazone (BS-121) increased the percentage of primitive cells, which include LSCs determining the overall...
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Analytical applications of smartphones for agricultural soil analysis
PublicationSoil is one of the most important farming resources. Appropriate managing of its quality promotes productive and sustainable agriculture. The valuable farm practice in soil quality managing is based on regular soil analysis with the aim to determine the exact amount of nutrients or other chemical, physical and biological soil properties. Soil analysis usually requires samples collection at desired sampling depth following by samples...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1: 4, 1: 6 and 1: 8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1:4, 1:6 and 1:8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Advanced fatigue and rutting characterisation of Polish asphalt mixtures based on the VECD model and viscoplastic shift model
PublicationThe advanced asphalt mixture performance-related specifications (AM-PRS) recently developed in USA can allow an optimisation of the design process of asphalt pavements thanks to the possibility to fully take into account the intrinsic material properties. In this study, four typical Polish mixtures, i.e. a Stone Mastic Asphalt (SMA) for wearing course, two mixtures for binder course with neat bitumen or Polymer modified Bitumen...