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Search results for: density functional theory
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Experimental evidence about misconception of Terzaghi's 1-D consolidation theory in terms of degree of consolidation
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Airfoil Design Under Uncertainty Using Non-Intrusive Polynomial Chaos Theory and Utility Functions
PublicationFast and accurate airfoil design under uncertainty using non-intrusive polynomial chaos (NIPC) expansions and utility functions is proposed. The NIPC expansions provide a means to efficiently and accurately compute statistical information for a given set of input variables with associated probability distribution. Utility functions provide a way to rigorously formulate the design problem. In this work, these two methods are integrated...
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Modulation of dielectric properties in low-loss polypropylene-based composites at GHz frequencies: theory and experiment
PublicationPolymer composites with high dielectric constant and low loss tangent are highly regarded as substrates for modern high-speed electronics. In this work, we analyze the high-frequency dielectric properties of two types of composites based on polypropylene infused with high-dielectric-constant microparticles. Two types of fillers are used: commercial ceramics or titanium oxide ( TiO2) with different concentrations. The key observation...
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Study of passive deck-flaps flutter control system on full bridge model. I: Theory
PublicationSformułowano modele matematyczne drgań mostu z zamontowanym pasywnym systemem sterowania flatterem w formalizmie metody elementów skończonych. System wykorzystuje stateczniki dołączone bezpośrednio do przęsła mostu. Siły aerodynamiczne działające bezpośrednio na most i stateczniki sformułowane są w przestrzeni czasu.
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On the theory and numerical simulation of acoustic and heat modes interaction in a liquid with bubbles: acoustic quasi-solitons
PublicationTeoria rzutowania zaburzenia ogólnego na mody. Zastosowanie metody do badań układu równań typu Korteweg`a-de Vries`a. Rozwiązania analityczne i simulacje numeryczne.
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Multiple solutions of indefinite elliptic systems via a Galerkin-type Con- ley index theory
PublicationW pracy wykazano prawdziwość hipotezy Angenenta i van der Vorsta dotyczącąilości rozwiązań pewnego układu eliptycznego. Liczbę rozwiazań szacuje się zdołu przy pomocy niezmiennika topologicznego zwanego uogólnionym indeksemMorse`a. W dowodzie stosuje sie niezmienniczy index Conleya w przestrzeniachHilberta.
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Analysis of the enthalpies of transfer of Co(II) ion in mixed solvents by means of the theory of preferential solvation.
PublicationZa pomocą teorii solwatacji preferencyjnej zanalizowano entalpie przeniesienia jonu Co(II) w kilku mieszaninach wodno-organicznych i organicznych, wyznaczając parametry, które w sposób ilościowy opisują solwatację preferencyjną jonu i jego wpływ na oddziaływania między cząsteczkami rozpuszczalnika. Przeprowadzono porównanie właściwości solwatacyjnych mieszanin. Wyznaczono także średni skład sfery solwatacyjnej jonu w zależności...
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Increased cytotoxicity of an unusual DNA topoisomerase II inhibitor compound C-1305 toward HeLa cells with downregulated PARP-1 activity results from re-activation of the p53 pathway and modulation of mitotic checkpoints
PublicationOur previous studies have shown that murine fibroblast cells, in which PARP-1 gene was inactivated by gene disruption, are extremely sensitive to triazoloacridone compound C-1305, an inhibitor of DNA topoisomerase II with unusual properties. Here, we show that pharmacological inhibition of PARP-1 activity by its inhibitor compound NU1025, sensitizes human cervical carcinoma HeLa cells to compound C-1305 compared to treatment with...
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RecA Proteins from Deinococcus geothermalis and Deinococcus murrayi - Cloning, Purification and Biochemical Characterisation
PublicationEscherichia coli RecA plays a crucial role in recombinational processes, the induction of SOS response and mutagenic lesion bypasses. It has also been demonstrated that RecA protein is indispensable when it comes to the reassembly of shattered chromosomes in gamma-irradiated Deinococcus radiodurans, one of the most radiation-resistant organisms known. Moreover, some functional differences between E. coli and D. radiodurans RecA...
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Musical inspiration in contemporary architecture - to build a music and to hear an architecture
PublicationThe goal of this research is chosen from a wide range of subjects within two fields of knowledge on the crossroads between music and architecture There are many designs in modern contemporary architecture that would illustrate the relationship between music and architecture, mainly through musical inspiration. The article shows contemporary musical and architectural discussion that cross over from the theoretical to the practical...
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Effects of consecutive apneas on pial artery pulsation and subarachnoid width in healthy subjects
PublicationHypercapnia is known to dilate the pial artery, disrupt cerebral autoregulation and increase pial artery pulsation. The cerebral blood flow velocity (CBFV) response to hypercapnia is biphasic. Below the threshold for the increase of blood pressure (BP) with carbon dioxide partial pressure (pCO2), the CBFV measurement reflects vascular reactivity to pCO2 alone at a constant BP. Above this threshold, the CBFV measurement provides...
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A modern solid waste management strategy – the generation of new by-products
PublicationTo benefit the environment and society, EU legislation has introduced a ‘zero waste’ strategy, in which waste material should be converted to resources. Such legislation is supported by the solid waste hierarchy concept, which is a set of priorities in waste management. Under this concept, municipal solid waste plants (MSWPs) should be equipped with sorting and recycling facilities, composting/incineration units and landfill prisms...
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublicationHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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Selected anionic and cationic surface active agents: case study on the Kłodnica sediments
PublicationSurface active agents (surfactants) are a group of chemical compounds, which are used as ingredients of detergents, cleaning products, cosmetics and functional products. After use, wastes containing surfactants or their degradation products are discharged to wastewater treatment plants or directly into surface waters. Due to their specific properties of SAAs, compounds are able to migrate between different environmental compartments...
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Intelligent Decision Forest Models for Customer Churn Prediction
PublicationCustomer churn is a critical issue impacting enterprises and organizations, particularly in the emerging and highly competitive telecommunications industry. It is important to researchers and industry analysts interested in projecting customer behavior to separate churn from non‐churn consumers. The fundamental incentive is a firm’s intent desire to keep current consumers, along with the exorbitant expense of gaining new ones....
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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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Generalized Formulation of Response Features for Reliable Optimization of Antenna Input Characteristics
PublicationElectromagnetic (EM)-driven parameter adjustment has become imperative in the design of modern antennas. It is necessary because the initial designs rendered through topology evolution, parameter sweeping, or theoretical models, are often of poor quality and need to be improved to satisfy stringent performance requirements. Given multiple objectives, constraints, and a typically large number of geometry parameters, the design closure...
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Deep learning for ultra-fast and high precision screening of energy materials
PublicationSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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IMPROVING STUDENT SKILLS WITH ENGAGING IN HERITAGE PROTECTION PROJECTS. CASE STUDY OF ARCHITECTURAL INVENTORY WORKS AT WISŁOUJŚCIE FORTRESS, POLAND (2017)
PublicationToday's educational offer at universities contains a lot of theoretical and general knowledge, which becomes less understandable and less suitable for students of the new generation. Student's educational needs aimed at increasing the practical experience necessary for future professional life. Heritage conservation projects are a good opportunity to implement project-based learning methods. Such projects can be scientific and...
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Novel steroid sulfatase inhibitors based on N ‐thiophosphorylated 3‐(4‐aminophenyl)‐coumarin‐7‐O‐sulfamates
PublicationIn the present work, we described convenient methods for the synthesis ofN-thiophosphorylated 3-(4-aminophenyl)-coumarin-7-O-sulfamates as steroid sulfatase(STS) inhibitors. To design the structures of the potential STS inhibitors, molecularmodeling techniques were used. A computational docking method was used to deter-mine the binding modes of the synthesized inhibitors as well as to identify potentialinteractions between specified...
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Folate/homocysteine metabolism and lung cancer risk among smokers
PublicationBackground: Folate and homocysteine are involved in DNA synthesis and methylation processes, which are deregulated during carcinogenesis. Objectives: The aim of this study was to assess the relationship between folate/homocysteine concentrations, the functional polymorphisms of folate/homocysteine genes and lung cancer risk among cigarette smokers. Study design: The study included 132 lung cancer patients and 396 controls from...
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Acetate-Induced Disassembly of Spherical Iron Oxide Nanoparticle Clusters into Monodispersed Core−Shell Structures upon Nanoemulsion Fusion
PublicationIt has been long known that the physical encapsulation of oleic acid-capped iron oxide nanoparticles (OA−IONPs) with the etyltrimethylammonium (CTA+) surfactant induces the formation of spherical iron oxide nanoparticle clusters (IONPCs). However, the behavior and functional properties of IONPCs in chemical reactions have been largely neglected and are still not well-understood. Herein, we report an unconventional ligand-exchange...
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Design and characterization of apatite La9.8Si5.7Mg0.3O26±δ-based micro-tubular solid oxide fuel cells
PublicationIn this study, electrolyte-supported (Cell A) and anode-supported (Cell B) micro-tubular solid oxide fuel cells (SOFCs) based on the La9.8Si5.7Mg0.3O26±δ (LSMO) electrolyte is built through an extrusion and dip-coating processes. The formulations and process conditions for these cells are established and optimized. Both cell configurations show no visible delamination or cracking, and reaction zones and inter-diffusion of any species...
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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
PublicationChemicals 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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Settlement Networks in Polish Spatial Development Regional Plans
PublicationIn 1999, ten years after the great political changes in Poland, 16 self-governed regions (in Polish: voivodeship) were created. According to Polish law, voivodeship spatial development plans, or regional plans in short, determine basic elements of the settlement network. No detailed regulations indicate the specific elements of the settlement network or what features of these elements should be determined. For this reason, centres...
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Edible black ant Smith (Carebara vidua) as human food – A systematic review
PublicationMeeting food security is one of the major global challenges to ensure sufficient supply of food for current and future generations, considering increasing population growth and climate change issues. Consequently, the consumption of edible insects as an alternative food source has recently gained global attention for combating global food insecurity. The present review aims to provide information on the recent progress in consumption...
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Effect of the Concentration of Hop Cone Extract on the Antibacterial, Physico-Chemical and Functional Properties of Adhesive Toilet Cleaners
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Explicit difference schemes for nonlinear differential functional parabolic equations with time dependent coefficients - convergence analysis
PublicationW pracy wykazano zbieżność metody różnicowej dla zagadnienia początkowego dla równania parabolicznego bez pochodnych mieszanych, ze współczynnikami zależnymi od czasu, z nieliniową i nielokalną prawą stroną równania.
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Certification system of persons responsible for functional Safety = System certyfikacji osób odpowiedzialnych za bezpieczeństwo funkcjonalne
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Comparative genomics and functional analysis of a highly adhesive dairy Lactobacillus paracasei subsp. paracasei IBB3423 strain
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Genomic and Functional Characterization of the Unusual pLOCK 0919 Plasmid Harboring thespaCBAPili Cluster inLactobacillus caseiLOCK 0919
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Functional Interfaces, Biological Pathways, and Regulations of Interferon-Related DNA Damage Resistance Signature (IRDS) Genes
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Pinus Species as Prospective Reserves of Bioactive Compounds with Potential Use in Functional Food—Current State of Knowledge
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Functional singlet oxygen generators based on porphyrazines with peripheral 2,5-dimethylpyrrol-1-yl and dimethylamino groups
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublicationHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
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Development of an emulation platform for synchronous machine power generation system using a nonlinear functional level model
PublicationThe article presents the Power Hardware in the Loop (PHIL) approach for an autonomous power system analysis based on the synchronous generator model incorporating magnetic saturation effects. The model was prepared in the MATLAB/Simulink environment and then compiled into the C language for the PHIL platform implementation. The 150 kVA bidirectional DC/AC commercial-grade converter was used to emulate the synchronous generator....
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Combined Spectroscopic Methods of Determination of Density of Electronic States: Comparative Analysis of Diffuse Reflectance Spectroelectrochemistry and Reversed Double-Beam Photoacoustic Spectroscopy
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Taksonomia funkcjonalnych kompetencji cyfrowych oraz metodologia pomiaru poziomu funkcjonalnych kompetencji cyfrowych ossb z pokolenia 50 plus (Taxonomy of Functional Digital Skills and Methodology for Measuring the Functional Level of Digital Literacy of People Aged 50 plus)
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Data-Centric Dempster-Shafer Theory-Based Selfishness Thwarting via Trust Evaluation in MANETs and WSNs
PublicationPrzedstawiono ramy wymiany informacji reputacyjnej pomiędzy terminalami sieci mobilnej ad hoc lub sensorowej, prowadzące do efektywnej lokalizacji terminali egoistycznych i jednocześnie zapobiegające skutkom fałszywych rekomendacji. Integrację miar zaufania i rekomendacji reputacyjnych oparto na teorii Dempstera-Shafera.
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Determination of the thermal conductivity of material dividing the metallic core elements of the bi-calorimeter using modified theory
PublicationW pracy przedstawiono zmodyfikowaną teorię bikalorymetru z dzielonym metalowym rdzeniem. Pomiędzy dwiema częściami rdzenia umieszczano próbki badanego ciała stałego lub gazu. Ogrzewano jedną stronę rdzenia. Mierzono temperaturę obu części rdzenia w funkcji czasu. Uzyskane wyniki umożliwiły wyznaczenie różnicy temperatur i strumienia ciepła, przepływającego przez próbkę. Z zastosowaniem prawa Fouriera obliczano współczynnik przewodności...
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TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
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The atlas of inequality aversion: theory and empirical evidence on 55 countries from the Luxembourg Income Study database
PublicationResearch background: In the distributive analysis, the constant relative inequality aversion utility function is a standard tool for ethical judgements of income distributions. The sole parameter ε of this function expresses a society’s aversion to inequality. However, the profession has not committed to the range of ε. When assessing inequality and other welfare characteristics, analysts assume an arbitrary level of ε, common...
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Bridging theory and practice in postgraduate education on development and planning: Gdynia Urban Summer Schools 2016-2018
PublicationIn this article, the authors discuss results achieved by the Gdynia Urban Summer School (GUSS) organised annually (between 2016 and 2018) in Gdynia, Poland. The GUSS was meant for young practitioners from various professions such as urban and regional planning, urban design, architecture, civil engineering and transport planning. The objective was to give workshop participantspractical interdisciplinary...
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Markowitz’s portfolio theory – optimal length of estimation window for gold and the biggests companies on the Warsaw Stock Exchange
PublicationThe following article is dedicated to the construction of an investment portfolio consisting of 3 investments from the Polish capital market found in the WIG20 index and from investment in gold. The purpose of the study was to determine the optimal length of the estimation window for building a portfolio with minimal risk and maximum efficiency. The length of the estimation window was also assessed in terms of the rate of return...
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Application of the theory of energy transformation systems to fatigue assessment of steel elements under multiaxial periodic loading
PublicationPraca dotyczy symulacji odporności zmęczeniowej elementów stalowych poddanych wieloosiowym obciążeniom okresowym w zakresie wysokocyklowym. W tym celu zdefiniowano jednoosiowe naprężenie sinusoidalne, równoważne w sensie trwałości zmęczeniowej materiału naprężeniu aktualnemu gdy każda jego kartezjańska składowa jest dana w postaci szeregu Fouriera. Warunki równoważności wynikają z teorii systemów transformacji energii i wiążą się...
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Application of potential theory in calculating wave-induced vertical forces on horizontal cylinders near a plane boundary
PublicationHydrodynamiczne obciażenia wywołane falowaniem morskim działajace na poziomo ułożoną przy dnie rurę, rozpatrywane są w ujęciu dyfrakcyjnym przy założeniu istnienia funkcji potencjału. Potencjał zdefiniowano jako superpozycję potencjału fali inicjującej oraz potencjału perturbacji spowodowanej istnieniem obiektu przy dnie. Wyniki rozwiązań teoretycznych porównano z wynikami doswiadczeń przeprowadzonych w Wielkim Kanale falowym w...
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Book Review: Vishwas Satgar (ed.), The Solidarity Economy Alternative: Emerging Theory and PracticeSatgarVishwas (ed.), The Solidarity Economy Alternative: Emerging Theory and Practice, University of KwaZulu-Natal Press: Durban, 2014; 332 pp.: ISBN 9781869142575, US$34.44
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Role of Human UDP-Glucuronosyltransferases in the Biotransformation of the Triazoloacridinone and Imidazoacridinone Antitumor Agents C-1305 and C-1311 : Highly Selective Substrates for UGT1A10
Publication5-Diethylaminoethylamino-8-hydroxyimidazoacridinone, C-1311 (NSC-645809), is an antitumor agent shown to be effective against breast cancer in phase II clinical trials. A similar compound, 5-dimethylaminopropylamino-8-hydroxytriazoloacridinone, C-1305, shows high activity against experimental tumors and is expected to have even more beneficial pharmacological properties than C-1311. Previously published studies showed that these...