Wyniki wyszukiwania dla: TIME-DEPENDENT SCHROEDINGER EQUATION
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Experimental and numerical investigations of ultimate strength of degradated structures
PublikacjaThe presented work investigates the corrosion influence on the structural behaviour of structural elements. Nine welded large-scale stiffened plates, and 30 standard small specimens have been subjected to the accelerated marine immersed conditions. After corrosion testing, the specimens have been accurately measured in terms of surface characteristics. The coupon specimens were furtherly subjected to tensile loading to develop...
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On the non-linear dynamics of torus-shaped and cylindrical shell structures
PublikacjaIn this study, the non-linear dynamic analysis of torus-shaped and cylindrical shell-like structures has been studied. The applied material is assumed as the functionally graded material (FGM). The structures are considered to be used for important machines such as wind turbines. The effects of some environmental factors on the analysis like temperature and humidity have been considered. The strain field has been calculated in...
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Local dynamics of fluids and dielectrics as the foundation of signal-carrying wave properties
PublikacjaThis paper develops an original approach to fundamental problems of classical linear acoustics and electromagnetics, proving a crucial role of doubly-dynamic local properties of a propagation medium in supporting wave-like fields able to carry information signals. The proof is composed of two steps concerning, subsequently, fluid acoustics and dielectric electromagnetics. The first step consists in complementing a common, practically...
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Processing of point cloud data retrieved from terrestrial laser scanning for structural modeling by Finite Element Method
PublikacjaFinite Element Method is one most popular contemporary method of strength analysis. The method is an advanced method for solving differential equations, based on discretization, which means that area is divided into finite elements. Each finite element has a solution of the equation approximated by specific functions and performing the actual calculations only for nodes of this division. Finite Element Method is widely used in...
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Effective Formula for Impact Damping Ratio for Simulation of Earthquake-induced Structural Pounding
PublikacjaStructural pounding during earthquakes may cause substantial damage to colliding structures. The phenomenon is numerically studied using different models of collisions. The aim of the present paper is to propose an effective formula for the impact damping ratio, as a parameter of the impact force model used to study different problems of structural pounding under seismic excitations. Its accuracy has been verified by four various...
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A review on gasification and pyrolysis of waste plastics
PublikacjaGasification and pyrolysis are thermal processes for converting carbonaceous substances into tar, ash, coke, char, and gas. Pyrolysis produces products such as char, tar, and gas, while gasification transforms carbon-containing products (e.g., the products from pyrolysis) into a primarily gaseous product. The composition of the products and their relative quantities are highly dependent on the configuration of the overall process...
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Mechanism-based inactivation of human cytochrome P450 1A2 and 3A4 isoenzymes by antitumor triazoloacridinone C-1305.
Publikacja5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone, C-1305, is a promising antitumor therapeutic agent with high activity against several experimental tumors. It was determined to be a potent and selective inhibitor of liver microsomal and human recombinant cytochrome P450 (CYP) 1A2 and 3A4 isoenzymes. Therefore, C-1305 might modulate the effectiveness of other drugs used in multidrug therapy. The objective of this study was...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublikacjaThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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On analysis of nanocomposite conical structures
PublikacjaThis research examines the analysis of rotating truncated conical baskets reinforced by carbon nanotubes around the two independent axes. A time-dependent analysis is considered, and the nonlinear dynamic governing equations are extracted using the energy method. Carbon nanotubes (CNTs) reinforced the conical basket, and the structure's mechanical properties are determined based on the several distributions of carbon nanotubes....
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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...
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Knowledge sharing and knowledge hiding in light of the mistakes acceptance component of learning culture- knowledge culture and human capital implications
PublikacjaPurpose: This study examines the micromechanisms of how knowledge culture fosters human capital development. Method: An empirical model was developed using the structural equation modeling method (SEM) based on a sample of 321 Polish knowledge workers employed in different industries. Findings: This study provides direct empirical evidence that tacit knowledge sharing supports human capital, whereas tacit knowledge hiding does...
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INFLUENCE OF TEST CONDITIONS ON TYRE/ROAD NOISE MEASURED BY THE DRUM METHOD
PublikacjaTyre/road noise is one of the most important environmental problems related to road traffic. Nowadays a few standard procedures of tyre/road noise measurements are in use. Unfortunately, measurement conditions specified within relevant standards are very different. For example, procedure described in ISO 11819-2 used for pavement investigations requires tyre load of 3200 N and capped inflation pressure of 200 kPa. At the same time...
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Thermal utilization of meat and bone meals. Performance analysis in terms of drying process, pyrolysis and kinetics of volatiles combustion
PublikacjaA development of technology of thermal utilization requires a thorough knowledge of the physicochemical properties, as well as kinetics of combustion of volatiles and char. Due to waste management regulations the meat and bone meal (MBM) is regarded as biofuel constituting one of the alternatives to fossil fuels in the energy market. MBM is a heterogeneous material that may consist of several different fractions. The extensive...
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Czynniki kształtujące środowisko pacjenta w szpitalu
PublikacjaSzpital jest miejscem szczególnym – z założenia przebywają w nim osoby, znajdujące się w sytuacji niekomfortowej. Możliwości adaptacji w nowym środowisku u osób chorych, osłabionych lub osób z niepełnosprawnościami są znacząco obniżone, a przecież szpital należy do budynków o najbardziej skomplikowanej strukturze funkcjonalno-przestrzennej. Stan emocjonalny pacjenta w środowisku szpitalnym jest uzależniony od relacji z lekarzami...
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Perfusion computed tomography: 4 cmversus8 cm coverage size in subjects with chronic carotid artery stenosis
PublikacjaOBJECTIVE: The impact of coverage size on global cerebral blood flow (CBF), cerebral blood volume (CBV), mean transit time (MTT) and time to peak (TTP) parameters has not been investigated in patients with chronic carotid artery stenosis. METHODS: 63 patients with stenosis of >70% within a single internal carotid artery and neurological symptoms were randomly assigned to two well-matched groups. Differences in CT perfusion scan...
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Culturable bacteria community development in postglacial soils of Ecology Glacier, King George Island, Antarctica
PublikacjaGlacier forelands are excellent sites in which to study microbial succession because conditions change rapidly in the emerging soil. Development of the bacterial community was studied along two transects on lateral moraines of Ecology Glacier, King George Island, by culture-dependent and culture-independent approaches (denaturating gradient gel electrophoresis). Environmental conditions such as cryoturbation and soil composition...
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Linear viscoelastic transversely isotropic model based on the spectral decomposition of elasticity tensors
PublikacjaThe linear viscoelasticity is still a useful model in the engineering for studying the behavior of materials loaded with different loading rates (frequencies). Certain types of materials reveal also an anisotropic behavior: fiber reinforced composites, asphalt concrete mixtures, or wood, to name a few. In general, researchers try to identify experimentally the dependence of engineering constants like: directional Young’s moduli...
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Quantitative Risk Assessment in Construction Disputes Based on Machine Learning Tools
PublikacjaA high monetary value of the construction projects is one of the reasons of frequent disputes between a general contractor (GC) and a client. A construction site is a unique, one-time, and single-product factory with many parties involved and dependent on each other. The organizational dependencies and their complexity make any fault or mistake propagate and influence the final result (delays, cost overruns). The constant will...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Thermodynamic, Anticoagulant, and Antiproliferative Properties of Thrombin Binding Aptamer Containing Novel UNA Derivative
PublikacjaThrombin is a serine protease that plays a crucial role in hemostasis, fibrinolysis, cell proliferation, and migration. Thrombin binding aptamer (TBA) is able to inhibit the activity of thrombin molecule via binding to its exosite I. This 15-nt DNA oligonucleotide forms an intramolecular, antiparallel G-quadruplex structure with a chair-like conformation. In this paper, we report on our investigations on the influence of certain...
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Quantum Dots as a Good Carriers of Unsymmetrical Bisacridines for Modulating Cellular Uptake and the Biological Response in Lung and Colon Cancer Cells
PublikacjaNanotechnology-based drug delivery provides a promising area for improving the efficacy of cancer treatments. Therefore, we investigate the potential of using quantum dots (QDs) as drug carriers for antitumor unsymmetrical bisacridine derivatives (UAs) to cancer cells. We examine the influence of QD–UA hybrids on the cellular uptake, internalization (Confocal Laser Scanning Microscope), and the biological response (flow cytometry...
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Economic Situation in Balkan Countries in the First Decade of 21st Century
PublikacjaThe recent economic crisis affected most of the countries in the world to a greater or lesser extent, including small economies sector. Small economies are a distinctive group of countries distinguished by particular qualities. They are dependent on trade exchange or international investment stream, and both their aggregate demand and supply, and price level depend on the development of the big economies dynamics. This is the reason...
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Measurements of raising of 160EC pantograph type
Dane BadawczeIn this description the results of the experiment and also simulation performed on the total assembly of the 160 EC pantograph type is given. Multibody dynamics of pantograph rising due to external torque and forces are measured for parameter validation of the pantograph model.
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Prenatal exposure to substance of abuse: A worldwide problem
PublikacjaSubstance abuse during pregnancy is an important public health issue affecting the mother and the growing infant. Preterm labor, miscarriage, abruption and postpartum hemorrhage are obstetric complications which have been associated with women who are dependent on abused substances. Moreover, women are also at an increased risk of medical problems such as poor nutrition, anemia, urinary tract infections as well as sexually transmitted...
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High-Efficacy Global Optimization of Antenna Structures by Means of Simplex-Based Predictors
PublikacjaDesign of modern antenna systems has become highly dependent on computational tools, especially full-wave electromagnetic (EM) simulation models. EM analysis is capable of yielding accurate representation of antenna characteristics at the expense of considerable evaluation time. Consequently, execution of simulation-driven design procedures (optimization, statistical analysis, multi-criterial design) is severely hindered by the...
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Evaluation of Response Amplitude Operator of Ship Roll Motions Based on the Experiments in White Noise Waves
PublikacjaEvaluation of the response amplitude operator (RAO) function for ship wave frequency motions by means of scale model tests in regular waves is a standard procedure conducted by hydrodynamic model testing institutions. The resulting RAO function allows for evaluating sufficiently reliable seakeeping predictions for low to moderate sea states. However, for standard hull forms, correct prediction of roll motion in irregular wave (and...
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Modeling and control of a redundantly actuated variable mass 3RRR planar manipulator controlled by a model-based feedforward and a model-based-proportional-derivative feedforward–feedback controller
PublikacjaIn the paper, dynamics of a complex mechatronics system is considered. A redundantly actuated planar manipulator is the base of the mechanical part of it. It is a 3RRR 1 platform based parallel manipulator. To control its trajectory, a model-based feedforward controller is employed. Three aspects are fundamental in the presented investigations. The first focus is on development of an accurate numerical model used to solve the inverse...
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Three-dimensional modeling and automatic analysis of the human nasal cavity and paranasal sinuses using the computational fluid dynamics method
PublikacjaPurpose The goal of this study was to develop a complete workflow allowing for conducting computational fluid dynam- ics (CFD) simulation of airflow through the upper airways based on computed tomography (CT) and cone-beam computed tomography (CBCT) studies of individual adult patients. Methods This study is based on CT images of 16 patients. Image processing and model generation of the human nasal cavity and paranasal sinuses...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublikacjaWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublikacjaThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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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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Photocatalytic degradation and pollutant-oriented structure-activity analysis of carbamazepine, ibuprofen and acetaminophen over faceted TiO2
PublikacjaPhotocatalytic degradation of carbamazepine, ibuprofen, acetaminophen and phenol was studied in the presence of anatase photocatalyst, exposing three different crystal facets in the majority of {0 0 1}, {1 0 0} or {1 0 1}. It was found that octahedral anatase particles exposing {1 0 1} facets allow to achieve the best degradation and mineralization of all persistent organic pollutants. This confirms that the previous findings,...
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Electrochemical determination of neurotransmitter serotonin using boron/nitrogen co-doped diamond-graphene nanowall-structured particles
PublikacjaElectrode fouling is a major issue in biological detection due to the adhesion of the protein itself and polymerization of biomolecules on the electrode surface, impeding the electron transfer ability and decreasing the current response. To overcome this issue, the use of anti-fouling material, especially boron-doped diamond (BDD) electrode, is an alternative way. However, the electrocatalytic activity of BDD is inadequate compared...
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Segmentation of academic community for the purposes of mobility plan development – case study of Gdansk University of Technology
PublikacjaThe objective of the paper is to analyse the structure of academic community for its transport behaviour and attitudes using the example of the Gdansk University of Technology (the GUT) in Poland. Once understood, the group can be divided into homogenous sub-groups and studied for their potential and ways to influence their behaviour, attitudes and transport patterns. The results may be used to develop dedicated actions designed...
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The use of Preston equation to determine material removal during lap-grinding with electroplated CBN tools
PublikacjaGrinding executed in a lapping configuration is an alternative finishing process benefiting from both grinding and free-abrasive machining, while minimizing the heat effect impact. Electroplated tools can be effectively used in different abrasive processes, including high-speed grinding, however, the assessment of machining performance over time is a key factor in their correct use to achieve satisfactory technological results....
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Precise Point Positioning Method Based on Wide-lane and Narrow-lane Phase Observations and Between Satellites Single Differencing
PublikacjaThe issue of using PPP method in position determination was formed in 1997. In most developed methods, ionospheric-free linear combination is used in order to eliminate the impact of the ionospheric delay. However, this approach does not provide the directly determination of the total value of the ambiguities, and the ambiguities for the individual signals. Therefore, in many publications methods of avoiding these deficiencies...
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Imidazoacridinone antitumor agent C-1311 as a selective mechanism- based inactivator of human cytochrome P450 1A2 and 3A4 isoenzymes.
Publikacja5-Diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311), a promising antitumor agent that is also active against autoimmune diseases, was determined to be a selective inhibitor of the cytochrome P450 (CYP) 1A2 and 3A4 isoenzymes. Therefore, C-1311 might modulate the effectiveness of other drugs used in multidrug therapy. The present work aimed to identify the mechanism of the observed C-1311-mediated inactivation of CYP1A2...
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FFT analysis of temperature modulated semiconductor gas sensor response for the prediction of ammonia concentration under humidity interference
PublikacjaThe increasing environmental contamination forces the need to design reliable devices for detecting of the volatile compounds present in the air. For this purpose semiconductor gas sensors, which have been widely used for years, are often utilized. Although they have many advantages such as low price and quite long life time, they still lack of long term stability and selectivity. Namely, environmental conditions have significant...
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Long-Term Stability of Benzodiazepines and Z-Hypnotic Drugs in Blood Samples Stored at Varying Temperatures
PublikacjaBenzodiazepines (BZDs) and Z-drugs are among the most commonly prescribed pharmaceuticals in the world and are considered standard care for various mental illnesses and for treatment of sleeping and anxiety disorders, alcohol withdrawal, muscle spasms and epilepsy. Some BZDs are not allowed as pharmaceuticals in many countries, and they are used as "designer benzodiazepines" (DBZDs). All these compounds are typically screened in...
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Features of load and wear of main propulsion devices on sea-going ships with piston combustion engines and their impact on changes in technical states of the systems
PublikacjaThe paper presents the specificity of operation of propulsion systems of seagoing ships which causes the need to control the load on them, especially on their engines called main engines. The characteristics of the load on the propulsion systems, especially on the main engines as well as on the shaft lines and propellers driven by the engines, along with the process of wear in tribological joints (sliding tribological systems)...
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Determination of trace levels of eleven bisphenol A analogues in human blood serum by high performance liquid chromatography–tandem mass spectrometry
PublikacjaChemicals showing structural or functional similarity to bisphenol A (BPA), commonly called BPA analogues, have recently drawn scientific attention due to their common industrial and commercial application as a substitute for BPA. In the European Union, the use of BPA has been severely restricted by law due to its endocrine disrupting properties. Unfortunately, it seems that all BPA analogues show comparable biological activity,...
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Optimization-Based High-Frequency Circuit Miniaturization through Implicit and Explicit Constraint Handling: Recent Advances
PublikacjaMiniaturization trends in high-frequency electronics have led to accommodation challenges in the integration of the corresponding components. Size reduction thereof has become a practical necessity. At the same time, the increasing performance demands imposed on electronic systems remain in conflict with component miniaturization. On the practical side, the challenges related to handling design constraints are aggravated by the...
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Nondestructive methods complemented by FEM calculations in diagnostics of cracks in bridge approach pavement
PublikacjaNondestructive methods of road pavement diagnostics are an alternative to traditional approach to pavement failure investigation. The article presents a detailed multidisciplinary inspection carried out using ground-penetrating radar (GPR), laser scanning technology and finite element method (FEM) calculations. It was done in order to assess the factors that contributed to occurrence of premature cracks of a bridge approach pavement....
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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New Chalcones Derivatives With Potent Antitumor Activity And Their Metabolism In Vitro
PublikacjaChalcone derivatives exhibit a broad range of biological activities, with antioxidant and cytotoxic properties among the most studied. Despite numerous reports on chalcones as cytotoxic, and potentially anticancer agents, very little is know on their actual mechanism of activity. Generally, chalcones are considered as antimitotic agents, which interfere with tubulin assembly.We have recently developed a new class of chalcones with...
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Solar light driven degradation of norfloxacin using as-synthesized Bi 3+ and Fe 2+ co-doped ZnO with the addition of HSO 5 – : Toxicities and degradation pathways investigation
PublikacjaIn this study, solar light responsive Bi3+ and Fe2+ doped ZnO were synthesized and used for photocatalytic degradation of norfloxacin (NOR), an emerging water pollutant. Analysis with Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), selected area electron...
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Diamond Nanofilm Normalizes Proliferation and Metabolism in Liver Cancer Cells
PublikacjaPurpose: Surgical resection of hepatocellular carcinoma can be associated with recurrence resulting from the degeneration of residual volume of the liver. The objective was to assess the possibility of using a biocompatible nanofilm, made of a colloid of diamond nanoparticles (nfND), to fill the side after tumour resection and optimize its contact with proliferating liver cells, minimizing their cancerous transformation. Methods:...
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Effects of biotransport and hydro-meteorological conditions on transport of trace elements in the Scott River (Bellsund, Spitsbergen)
PublikacjaThe shaping of surface water chemistry in the Svalbard Archipelago is strongly dependent on the geology of the catchment and the process of long-range transport of atmospheric pollutants (LRATP). It was found that the dissolved trace elements in the Scott River, which catchment is characterized by a decreasing degree of glaciation, were of the natural origin (i.a. weathering and dissolution of local geological substratum). The...
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Patch size setup and performance/cost trade-offs in multi-objective EM-driven antenna optimization using sequential domain patching
PublikacjaPurpose This paper aims to assess control parameter setup and its effect on computational cost and performance of deterministic procedures for multi-objective design optimization of expensive simulation models of antenna structures. Design/methodology/approach A deterministic algorithm for cost-efficient multi-objective optimization of antenna structures has been assessed. The algorithm constructs a patch connecting extreme Pareto-optimal...