Wyszukiwarka
Wyniki wyszukiwania dla: freeval
-
Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublikacjaAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
-
Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl
PublikacjaThe corrosion inhibition properties of 8-hydroxyquinoline (8-HQ) in 0.1 M HCl for copper have been investigated by using experimental (electrochemical impedance spectroscopy (EIS), dynamic electrochemical impedance spectroscopy (DEIS), and potentiodynamic polarization) and theoretical methods complemented by surface morphological examination with the aid of scanning electron microscopy (SEM) and electron dispersive X-ray spectroscopy...
-
Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublikacjaIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
-
Remote sensing and photogrammetry techniques in diagnostics of concrete structures
PublikacjaRecently laser scanning technologies become widely used in many areas of the modern economy. In the following paper authors show a potential spectrum of use Terrestrial Laser Scanning (TLS) in diagnostics of reinforced concrete elements. Based on modes of failure analysis of reinforcement concrete beam authors describe downsides and advantages of adaptation of terrestrial laser scanning to this purpose, moreover reveal under which...
-
Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups
PublikacjaRe(L1)–Re(L3), a series of rhenium(I) tricarbonyl chloride complexes with bpy-R2 derivatives L1–L3 (bpy = 2,2′-bipyridine, R represents the substitution at the 4- and 4′-positions), and their corresponding trishomoleptic Ru(L1)3–Ru(L3)3 as well as heteroleptic ruthenium(II) complexes Ru(tbbpy)2(L1) and Ru(tbbpy)2(L2) have been synthesized and characterized. Their applicability as immobilizable metal–organic chromophores in solar...
-
Time-dependent relaxation dynamics of remanent strain in textured PMN–PZ–PT and PMN–PIN–PT piezoceramics
PublikacjaCrystallographically textured lead-based piezoceramics, particularly P (Mg1/3Nb2/3) O3–Pb ZrO3–PbTi O3 (PMN–PZ PT) and Pb(M1/3Nb2/3)O3–Pb(In1/2Nb1/2)O3–PbTiO3 (PMN–PIN–PT), play a pivotal role in electromechanical applications due to their enhanced field-induced strain responses. However, challenges in precision positioning arise from heightened remanent strain (Sr) caused by embedded templates in the textured grains impacting...
-
Novel methods for diagnosis of pulmonary microangiopathy in diabetes mellitus
PublikacjaLung microangiopathy is a little known negative influence of diabetes mellitus on the functioning of the lungs. In current medical practice lung microangiopathy is diagnosed by comparing two measurements of lung diffusing capacity - one with the subject standing and one with the subject lying. The necessity to take two measurements is inconvenient. In lung microangiopathy we observe a reduction of diffusing capacity, lung flow...
-
O 1s excitation and ionization processes in the CO2 molecule studied via detection of low-energy fluorescence emission
PublikacjaOxygen 1s excitation and ionization processes in the CO2 molecule have been studied with dispersed and non-dispersed fluorescence spectroscopy as well as with the vacuum ultraviolet (VUV) photon-photoion coincidence technique. The intensity of the neutral O emission line at 845 nm shows particular sensitivity to core-to-Rydberg excitations and core-valence double excitations, while shape resonances are suppressed. In contrast,...
-
What should we know when choosing feather, blood, egg or preen oil as biological samples for contaminants detection? A non-lethal approach to bird sampling for PCBs, OCPs, PBDEs and PFASs
PublikacjaBirds are considered as good bio-monitors and they can provide highly valuable data about the level of contamination in their habitat. During the design of biomonitoring studies one of the first issues after choosing species is the choice of biological material. Non-lethally collected samples have recently been gaining greater attention as they offer several ethical and practical advantages. However, not all sample matrices are...
-
Discriminatory expressions, the young and social networks: The effect of gender
PublikacjaIn the framework of the «Project I: CUD» (Internet: Creatively Unveiling Discrimination), carried out in the United Kingdom, Italy, Belgium, Romania and Spain, we conducted a study into the expressions of discrimination used by young people on social network sites. To do so we designed a methodological strategy for detecting discriminatory content in 493 Facebook profiles and used this strategy to collect 363 examples for further...
-
Wear Resistance Enhancement of Al6061 Alloy Surface Layer by Laser Dispersed Carbide Powders
PublikacjaIn this paper, results of the experimental study on improving wear resistance in sliding friction of Al-based alloy are presented. The technique used involves the formation of a metal matrix composite (MMC) in the alloy surface layer by laser dispersion of carbide powders such as WC, TiC and SiC. For WC and TiC MMC surface coatings fabricated under conditions typical for most of the technologically relevant solid-state lasers (wavelength...
-
The relationship between phytochemical composition and biological activities of differently pigmented varieties of berry fruits; Comparison between embedded in food matrix and isolated anthocyanins.
PublikacjaThe aim of this research was to correlate the composition of phenolic compounds and bioactivities (antioxidant, cytotoxic, antigenotoxic, and influence on selected enzymatic activities) exhibited by extracts from differently pigmented raspberry (yellow and red), grape (white and red), mulberry (white and black), and currant (white, red, and black) varieties. It was presumed that phytocomplexes of the same species will be similar...
-
Galerkin formulations of isogeometric shell analysis: Alleviating locking with Greville quadratures and higher-order elements
PublikacjaWe propose new quadrature schemes that asymptotically require only four in-plane points for Reissner–Mindlin shell elements and nine in-plane points for Kirchhoff–Love shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree p of the elements. The quadrature points are Greville abscissae associated with pth-order B-spline basis functions whose continuities depend on the specific...
-
Schronienie – poszukiwanie formuły dla domu wpisanego w relacje środowiskowe
PublikacjaKonieczność schronienia i potrzeba zamieszkiwania wymagają przestrzeni, które współcześnie zazwyczaj zabezpieczają obiekty architektoniczne. Jednak często zauważamy niedobory wartości w przestrzeni zamieszkiwania. Pomysłem zaradczym w tej sytuacji jest powrót do punktu wyjścia. Do zapewnienia schronienia. Jeśli będzie ono wpisane w relacje środowiskowe i ukształtowane w zgodzie z potrzebą zachowania ciągłości kulturowej, ma szansę...
-
Moda jako wartość konsumencka - eksplikacja zagadnienia
PublikacjaCel: Celem artykułu jest przedstawienie problematyki mody jako propozycji wartości dla klienta. Realizacja niniejszego celu wymagała uszczegółowionej eksplikacji zjawiska mody. W publikacji zdefiniowaniu poddano mechanizm działania mody, istotę trendu mody, jak również omówiono główne perspektywy analizy mody oraz aktualne nurty badań nad modą. Projekt badania/metodyka badawcza/koncepcja: W pracy wykorzystano metodę krytycznej...
-
Investigation on Mode I Fracture Behavior of Hybrid Fiber-Reinforced Geopolymer Composites
PublikacjaRecent reports in the literature have shown that fber-reinforced geopolymer composites (FRGC) made with monofbers exhibit a signifcant enhancement in fracture energy. However, many aspects of the fracture performance of hybrid fberreinforced geopolymer composites (HFRGC) remain largely unexploited, and these are predominant for the structures. For the frst time, the mode I fracture energy of HFRGC is investigated. The mode I behavior...
-
Antibacterial polyurethanes, modifed with cinnamaldehyde, as potential materials for fabrication of wound dressings
PublikacjaThe epidermis is a skin layer, which protects an organism from the different factors of external environment. Therefore, the fast and effective regeneration of epidermis is important. Potential materials used for epidermis regeneration may be polyurethane scaffolds in form of the thin permeable layers. One and main disadvantage of such polyurethane scaffolds are their lack of antibacterial and antifungal properties. The great proposition...
-
Moisture content during and after high- and normal-temperature drying processes of wood
PublikacjaThe aim of the article is to present the results of moisture content of wood during and after the high-temperature steam and air–steam mixture drying processes and after an open air-drying process. The knowledge of moisture content changes of wood in the process of its drying is one of the important parameters to economy drying process and to keep the quality of dried wood. Wood samples, namely, spruce (Picea abies K.) and beech...
-
The Effect of Oxygenated Diesel-N-Butanol Fuel Blends on Combustion, Performance, and Exhaust Emissions of a Turbocharged CRDI Diesel Engine
PublikacjaThe article deals with the effects made by using various n-butanol-diesel fuel blends on the combustion history, engine performance and exhaust emissions of a turbocharged four-stroke, four-cylinder, CRDI 1154HP (85 kW) diesel engine. At first, load characteristics were taken when running an engine with normal diesel fuel (DF) to have ‘baseline’ parameters at the two ranges of speed of 1800 and 2500 rpm. Four a fossil diesel (class...
-
Determination of Metals Content in Wine Samples by Inductively Coupled Plasma-Mass Spectrometry
PublikacjaKnowledge about the metal content of wine is very important, for many reasons. Depending on the element, its quantity varies in wine from ng/L to mg/L. Despite the fact that metals are not directly connected to the taste and aroma of the wine, their content should be determined and controlled, because excess is undesirable, and in some cases prohibited, due to potential toxicity. Several analytical procedures for metal determination...
-
Photophysics of Untethered ZnTPP-Fullerene Complexes in Solution
PublikacjaThe spectroscopy and dynamic behavior of the self-assembled, Soret-excited zinc tetraphenylporphyrin (ZnTPP) plus fullerene (C60) model system in solution has been examined using steady state fluorescence quenching, nanosecond time-correlated single photon counting, picosecond fluorescence upconversion, and picosecond transient absorption methods. Evidence of ground state complexation is presented. Steady-state quenching of the...
-
Business Process Management education in Poland: A manifesto for academic teaching
PublikacjaThis paper critically assesses Business Process Management (BPM) education in Poland and provides evidence-based recommendations for improvement. Through a survey of 44 BPM educators, the study evaluates BPM lifecycle coverage, IT tool utilization, and incorporation of the Six Core Elements of BPM. The findings reveal a focus on process modeling and analysis, identifying gaps in the way the entire BPM lifecycle is addressed. Despite...
-
Temperature Effects on Weigh-in-Motion Accuracy Using Steering Axle Load Spectrum
PublikacjaWeigh-in-motion systems (WIM) serve as valuable sources of traffic load data. The determination of axle load spectra using WIM data is pivotal for calculating load equivalency factors and predicting pavement distresses through M-EPDG. Among various factors affecting WIM accuracy, temperature changes stand out as particularly influential. This paper examines the influence of temperature on WIM-collected data, utilizing the steering...
-
Theoretical design of nanocatalysts based on (Fe2O3)n clusters for hydrogen production from ammonia
PublikacjaThe catalytic activities of high-spin small Fe(III) oxides have been investigated for efficient hydrogen production through ammonia decomposition, using the artificial force induced reaction method within the framework of density functional theory with the B3LYP hybrid exchange–correlation functional. Our results reveal that the adsorption free energy of NH3 on (Fe2O3 )n (n = 1–4) decreases with increasing cluster size up to n...
-
Concentration‐Induced Hetero‐Valent Partial‐Inverse Occupation of Infrared Phosphor
PublikacjaInfrared luminescent materials have evoked much attention from chemists and material scientists. Although substantial progress is made in materials design, the luminescent mechanism remains ambiguous in the complex structures, presenting major barriers to developing novel infrared luminescent materials. Herein, this study aims to deliberate a complete discussion on infrared phosphors with concentration-induced hetero-valent partial-inverse...
-
Mechanical and structural behavior of high-strength low-alloy steel pad welded by underwater wet welding conditions
PublikacjaThe aim of the paper was to determine the metallurgical and mechanical behaviors of a high-strength low-alloy (HSLA) steel pad-welded specimen used in the structures of industrial and naval parts. Then to predict the metallurgical consequences (nature of the phases present) and the mechanical properties (hardness and impact strength) of the pad-welded steel obtained by underwater wet welding with different heat input values. The...
-
Nonlinearity shaping in nanostructured glass-diamond hybrid materials for optical fiber preforms
PublikacjaNanodiamond integration with optical fibers has proved a compelling methodology for magneto-optics. We reveal that the applicability of nanodiamonds in nonlinear optics goes beyond the previous demonstrations of frequency converters. Instead, we exploit the recently reported volumetric integration of nanodiamonds along the optical fiber core and show that the nonlinear response of glasses can be manipulated by nanodiamonds. By...
-
Damage of a post-tensioned concrete bridge – Unwanted cracks of the girders
PublikacjaThe cracking of a post-tensioned T-beam superstructure, which was built using the incremental launching method, is analyzed in the paper. The problem is studied in detail, as specific damage was observed in the form of longitudinal cracks, especially in the mid-height zone of the girder at the interface of two assembly sections. The paper is a case study. A detailed inspection is done and non-destructive testing results of the...
-
Ferromagnetism in Pr-rich binary Pr7Ru3 intermetallic compound
PublikacjaWe present the synthesis and experimental characterization of the binary intermetallic compound Pr7Ru3. The polycrystalline sample was prepared by arc melting pure Pr and Ru, followed by homogenization at 500 °C and 600 °C for 48 and 89 h, respectively. Powder x-ray diffraction confirms that Pr7Ru3 crystallizes in an orthorhombic crystal structure (Pnma, space group no. 62) with the lattice parameters: a = 7.3606(7) Å, b = 23.120(1)...
-
From tryptophan to novel mitochondria-disruptive agent, synthesis and biological evaluation of 1,2,3,6-tetrasubstituted carbazoles
PublikacjaMitochondrial targeting plays an important role in anticancer therapy. The Mn(III)-promoted cyclization of 5- (1H-indol-3-yl)-3-oxopentanoic acid allow to obtain novel substituted carbazole derivatives that can act as mitochondria-disruptive agents. The starting materials used for the synthesis of these new aminocarbazoles are oxopentanoate derivatives of tryptophan. The scope and limitation of this method of synthesis are determined...
-
About Unusual Diffraction and Thermal Self-Action of Magnetosonic Beam
PublikacjaThe dynamics of slightly diverging two-dimensional beams whose direction forms a constant angle θ with the equilibrium straight magnetic strength is considered. The approximate dispersion relations and corresponding links which specify hydrodynamic perturbations in confined beams are derived. The study is dedicated to the diffraction of a magnetosonic beam and nonlinear thermal self-action of a beam in a thermoconducting gaseous plasma....
-
Employment and export specialization patterns versus GDP per capita performance - unifying approach
PublikacjaThis paper analyses the evolution of specialization patterns along the process of economic development. The scope of the paper is twofold: first of all, it aims at understanding if the evolution of employment specialization is reflected in the same manner in trade specialisation patterns. Secondly, it explores the link between the degree of specialization on one side and cross country GDP per capita performance on the other. We...
-
Biochemical characteristic of biofilm of uropathogenic Escherichia coli Dr+ strains.
PublikacjaUrinary tract infections caused by Escherichia coli are very common health problem in the developed countries. The virulence of the uropathogenic E. coli Dr+ IH11128 is determined by Dr fimbriae, which are homopolymeric structures composed of DraE subunits with the DraD protein capping the fiber. In this study, we have analyzed the structural and biochemical properties of biofilms developed by E. coli strains expressing Dr fimbriae...
-
Examining Government-Citizen Interactions on Twitter using Visual and Sentiment Analysis
PublikacjaThe goal of this paper is to propose a methodology comprising a range of visualization techniques to analyze the interactions between government and citizens on the issues of public concern taking place on Twitter, mainly through the official government or ministry accounts. The methodology addresses: 1) the level of government activity in different countries and sectors; 2) the topics that are addressed through such activities;...
-
Synthesis and physical properties of the 10.6 K ferromagnet NdIr3
PublikacjaThe magnetic, transport, and thermodynamic properties of NdIr3 are reported. Its PuNi3-type crystal structure (space group R−3m), with lattice parameters a= 5.3262(1)Å and c=26.2218(3)Å, was confirmed by powder x-ray diffraction. Our measurements indicate that NdIr3 exhibits a previously unreported paramagnetic to ferromagnetic phase transition below TC=10.6 K(determined by using the Arrott plot). The magnetic susceptibility obeys...
-
Novel tetrahedral cobalt(II) silanethiolates: structures and magnetism
PublikacjaThree heteroleptic complexes of Co(II) tri-tert-butoxysilanethiolates have been synthesized with piperidine [Co{SSi(OtBu)3}2(ppd)2] 1, piperazine [Co{SSi(OtBu)3}2(NH3)]2(μ-ppz)·2CH3CN 2, and N-ethylimidazole [Co{SSi(OtBu)3}2(etim)2] 3. The complexes have been characterized by a single-crystal X-ray, revealing their tetrahedral geometry on Co(II) coordinated by two nitrogen and two sulfur atoms. Complexes 1 and 3 are mononuclear,...
-
Open Data Capability Architecture - An Interpretive Structural Modeling Approach
PublikacjaDespite of increasing availability of open data as a vital organizational resource, large numbers of startups and organizations fail when it comes to utilizing open data effectively. This shortcoming is attributable to the poor understanding of what types of capabilities are required to successfully conduct data related activities. At the same time, research on open data capabilities and how they relate to one another remains sparse....
-
Revisiting the estimation of cutting power with different energetic methods while sawing soft and hard woods on the circular sawing machine: a Central European case
PublikacjaIn the classical approaches, used in Central Europe in practice, cutting forces and cutting power in sawing processes of timber are commonly computed by means of the specific cutting resistance kc. It needs to be highlighted that accessible sources in handbooks and the scientific literature do not provide any data about wood provenance, nor about cutting conditions, in which cutting resistance has been empirically determined. In...
-
On adaptive covariance and spectrum estimation of locally stationary multivariate processes
PublikacjaWhen estimating the correlation/spectral structure of a locally stationary process, one has to make two important decisions. First, one should choose the so-called estimation bandwidth, inversely proportional to the effective width of the local analysis window, in the way that complies with the degree of signal nonstationarity. Too small bandwidth may result in an excessive estimation bias, while too large bandwidth may cause excessive...
-
The effect of numerical 2D and 3D FEM element modelling on strain and stress distributions at laser weld notches in steel sandwich type panels
PublikacjaLike other means of transport, merchant ships face the problem of increasing requirements concerning the environment protection, which, among other issues, implies the reduction of fuel consumption by the ship. Here, the conventional approach which consists in making use of higher strength steels to decrease the mass of the ship hull can be complemented by the use of new steel structures of sandwich panel type. However, the lack...
-
Electrode materials for electrochemical capacitors based on poly(3,4-ethylenedioxythiophene) and functionalized multi-walled carbon nanotubes characterized in aqueous and aprotic electrolytes
PublikacjaWithin this work, we report a facile one-stage synthesis of nanocomposites based on functionalized carbon nanotubes (CNTs) and electroactive polymer poly(3,4-ethylenedioxythiophene). Three different composites are investigated as potential electrode materials for the electrochemical capacitors. Two of the composites contain carbon nanotubes (ox-CNTs), functionalized by acid oxidation process (65% HNO3, 120 °C). The third composite...
-
Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
-
Cast Iron Staircase in Aleksandrów Kujawski (Poland) - History, Construction, Architectural Form
PublikacjaThe text presents historic cast iron staircase, which is situated inside the railway station building in Aleksandrów Kujawski. Since the moment of creation in the 19th century for a long time that station, located at the border of Prussia and Kingdom of Poland, was an important transit point. Nowadays it is situated in the central of Poland. The staircase was built in 1870’s as a result of an extension of the railway station building...
-
Micropatterning of BiVO 4 Thin Films Using Laser-Induced Crystallization
PublikacjaRelatively high temperatures even up to 500 °C are required to obtain bismuth vanadate (BiVO4) films with the scheelite monoclinic (s-m) structure that shows the highest photocatalytic activity. This requirement limits the possible choice of substrates. Moreover, high quality thin layers of crystalline BiVO4 cannot be prepared with current methods. In this study a light-induced crystallization approach is presented, which is a...
-
Przestrzeń pamięci – pamięć przestrzeni. Refleksja nad przestrzeniami symbolicznymi miasta Szczecin w świetle postmodernistycznej transformacji sztuki i architektury
PublikacjaW zamiarze autorek artykułu było dokonanie pogłębionej analizy przestrzeni miasta Szczecin, ze szczególnym uwzględnieniem miejsc kreowanych, jako symboliczne przestrzenie pamięci w celu ujawnienia procesów, jakim owe obszary podlegały w ostatnich dziesięcioleciach. Analiza postmodernistycznej transformacji przestrzeni miejskich Szczecina objęła zarówno obiekty (pomniki, obiekty architektury, układy urbanistyczne) stanowiące...
-
New Biocompatible Ti-MOF@hydroxyapatite Composite Boosted with Gentamicin for Postoperative Infection Control
PublikacjaThe standard clinical management of osteomyelitis involves prolonged antibiotic therapy, which frequently necessitates the excision of infected tissues. However, the efficacy of such treatments is increasingly compromised by the rise of antibiotic-resistant pathogens, underscoring an urgent need for innovative approaches. This study introduces a novel composite material designed to offer dual functionality: robust antimicrobial...
-
Adaptive Hyperparameter Tuning within Neural Network-based Efficient Global Optimization
PublikacjaIn this paper, adaptive hyperparameter optimization (HPO) strategies within the efficient global optimization (EGO) with neural network (NN)-based prediction and uncertainty (EGONN) algorithm are proposed. These strategies utilize Bayesian optimization and multiarmed bandit optimization to tune HPs during the sequential sampling process either every iteration (HPO-1itr) or every five iterations (HPO-5itr). Through experiments using...
-
Study on some of the strength properties of soft clay stabilized with plastic waste strips
PublikacjaIt is well known that if plastic wastes are not well managed, it has a negative impact on the environment as well as on human health. In this study, recycling plastic waste in form of strips for stabilizing weak subgrade soil is proposed. For this purpose, a weak clay soil sample was mixed with 0.2%, 0.3%, and 0.4% of plastic strips by weight of soil, and the experimental results were compared to the control soil sample with 0%...
-
Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters
PublikacjaThe biological activity of Cd compounds has been investigated scarce since Cd has been recognized as a human carcinogen. However, the toxicity of cadmium is comparable to the toxicity of noble metals such as Pt and Pd. The paradigm of metal toxicity has been challenged suggesting that metal toxicity is not a constant property, yet it depends on many factors like the presence of appropriate ligands. Studies on anticancer activity...
-
Optimization of Chemical Functionalities of Indole-2-carboxamides To Improve Allosteric Parameters for the Cannabinoid Receptor 1 (CB1)
Publikacja5-Chloro-3-ethyl-N-(4-(piperidin-1-yl)phenethyl)-1H-indole-2-carboxamide (1; ORG27569) is a prototypical allosteric modulator for the cannabinoid type 1 receptor (CB1). Here, we reveal key structural requirements of indole-2-carboxamides for allosteric modulation of CB1: a critical chain length at the C3-position, an electron withdrawing group at the C5-position, the length of the linker between the amide bond and the phenyl ring...