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Wyniki wyszukiwania dla: COVID-19 MOLECULAR DOCKING MULTI-EPITOPES VACCINESMM-PBSA/MM-GBSA ANALYSIS SARS-COV-2 VARIANTS
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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations
PublikacjaWe present a complete exploration of the different fragmentation mechanisms of furan (C4H4O) operating at low and high energies. Three different theoretical approaches are combined to determine the structure of all possible reaction intermediates, many of them not described in previous studies, and a large number of pathways involving three types of fundamental elementary mechanisms: isomerization, fragmentation, and H/H2 loss...
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Fast multi-objective design optimization of microwave and antenna structures using data-driven surrogates and domain segmentation
PublikacjaPurpose Strategies and algorithms for expedited design optimization of microwave and antenna structures in multi-objective setup are investigated. Design/methodology/approach Formulation of the multi-objective design problem oriented towards execution of the population-based metaheuristic algorithm within the segmented search space is investigated. Described algorithmic framework exploit variable fidelity modeling, physics- and...
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Hydraulic analysis of causes of washout of Gdynia-Orłowo seashore during the flood in the Kacza river estuary
PublikacjaIn July 2016 in the Three-city agglomeration a rainfall episode of over a day duration and 150 mm summary rainfall height, occurred. This situation, extreme as for Polish conditions, caused significant freshets in rivers and streams running into Gdansk Bay, the Baltic Sea, and serving as collectors of rainfall waters for the sea-coast towns. In many areas of the Three-city flood phenomena and overflows took place. The flood also...
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Oral Health-Related Knowledge, Attitudes and Behaviours of Arab Dental Students: Multi-National Cross-Sectional Study and Literature Analysis 2000–2020
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High pressure and time resolved studies of optical properties of n-type doped GaN/AlN multi-quantum wells: Experimental and theoretical analysis
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Can the Pandemic Be a Catalyst of Spatial Changes Leading Towards the Smart City?
PublikacjaThe worldwide spread of Covid‐19 infections has had a pervasive influence on cities and the lives of their residents. The current crisis has highlighted many urban problems, including those related to the functionality of urban structures, which directly affect the quality of life. Concurrently, the notion of “smart cities” is becoming a dominant trend in the discourse on urban development. At the intersection of these two phenomena,...
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Multi-criteria Differential Evolution for Optimization of Virtual Machine Resources in Smart City Cloud
PublikacjaIn a smart city, artificial intelligence tools support citizens and urban services. From the user point of view, smart applications should bring computing to the edge of the cloud, closer to citizens with short latency. However, from the cloud designer point of view, the trade-off between cost, energy and time criteria requires the Pareto solutions. Therefore, the proposed multi-criteria differential evolution can optimize virtual...
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Simple 2-D Direction-of-Arrival Estimation Using an ESPAR Antenna
PublikacjaIn this letter, it has been shown how an electronically steerable parasitic array radiator (ESPAR) antenna can be used for 2-D direction-of-arrival (DoA) estimation employing received signal strength (RSS) values only. The proposed approach relies on changes in RSS values recorded at the antenna output port observed for different vertical and horizontal directions, while antenna’s main beam sweeps 360° area around the ESPAR antenna. Based...
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CULTURAL DETERMINANTS OF EVIDENCE-BASED HUMAN RESOURCES MANAGEMENT: A CROSS-COUNTRY ANALYSIS
PublikacjaPurpose: This paper aims at providing comparative analysis of the influence of cultural determinants on the managers’ perceptions of human resources management practices, as a factor conditioning application of evidence-based management. Design/methodology/approach: This article presents the study of 121 managers in Poland, on their perception of HRM practices and analyses the consistency of findings with the Hofstede cultural...
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Evaluation of possibilities of genotyping of Candida glabrata clinical isolates with RAPD-PCR method and microsatellite analysis
PublikacjaThe aim of the study was to compare the discriminatory power of RAPD-PCR method using RSD10 primer and microsatellite (GACA)4 analysis for genotyping clinical isolates of C. glabrata. Isolates were received from patients of two Polish hospitals: Children's Memorial Health Institute in Warsaw (n=17) and Medical University of Gdansk (n=37). Species identification was confirmed by two phenotypic methods: growth on chromagar plates...
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Screening of predicted synergistic multi-target therapies in glioblastoma identifies new treatment strategies
PublikacjaAbstract Background IDH-wildtype glioblastoma (GBM) is a highly malignant primary brain tumor with a median survival of 15 months after standard of care, which highlights the need for improved therapy. Personalized combination therapy has shown to be successful in many other tumor types and could be beneficial for GBM patients. Methods We performed the largest drug combination screen to date in GBM, using a high-throughput effort...
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Design-oriented computationally-efficient feature-based surrogate modelling of multi-band antennas with nested kriging
PublikacjaDesign of modern antenna structures heavily depends on electromagnetic (EM) simulation tools. EM analysis provides reliable evaluation of increasingly complex designs but tends to be CPU intensive. When multiple simulations are needed (e.g., for parameters tuning), the aggregated simulation cost may become a serious bottleneck. As one possible way of mitigating the issue, the recent literature fosters utilization of faster representations,...
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The molecular function of kallikrein‐related peptidase 14 demonstrates a key modulatory role in advanced prostate cancer
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publikacjaabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Elastoplastic nonlinear FEM analysis of FGM shells of Cosserat type
PublikacjaThe paper is a continuation of [1] where the formulation of the elastic constitutive law for functionally graded materials (FGM) on the grounds of nonlinear 6-parameter shell theory with the 6th parameter (the drilling degree of freedom) was presented. Here the formulation is extended to the elasto-plastic range. The material law is based on Cosserat plasticity and employs the well-known Tamura-Tomota-Ozawa (TTO) [2] mixture...
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Isotope-labeled substances in analysis of persistent organicpollutants in environmental samples
PublikacjaUltratrace analysis of persistent organic pollutants (POPs) in environmental samples requires very sophisticated methods for both sample preparation and instrumental analysis. The complex matrix requires a multi-stage procedure. Each stage is a potential source of error, as a consequence of which the final result of analysis could be a source of misinformation rather than information. The individual stages and the procedure as...
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Thermo-elastic non-linear analysis of multilayered plates and shells
PublikacjaGeometrically nonlinear FEM analysis of multilayered composite plates and shells is performed in order to resolve the stability problem of the structures being under the influence of temperature field. The Riks-Wempner-Ramm algorithm with a specially modified multi-choice unloading condition has been implemented in authors’ numerical code. As the representation of multilayered medium the Equivalent Single Layer approach with the...
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Multi-criteria Robot Selection Problem for an Automated Single-Sided Lapping System
PublikacjaFlat lapping is a crucial process in a number of precision manufacturing technologies. Its aim is to achieve extremely high flatness of the workpiece. Single-sided lapping machines have usually standard kinematic systems and are used in conjunction with conditioning rings, which are set properly be-tween the center and the periphery of the lapping plate. In this paper, instead of conventional single-side lapping machine, an automated...
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Finite element modelling of a historic church structure in the context of a masonry damage analysis
PublikacjaThe paper includes a case study of modelling a real historic church using the finite element method (FEM) based on laser scans of its geometry. The main goal of the study was the analysis of the causes of cracking and crushing of masonry walls. An FEM model of the structure has been defined in ABAQUS. A non-linear dynamic explicit analysis with material model including damage plasticity has been performed. A homogenization procedure...