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Wyniki wyszukiwania dla: ambiguous restraints, coarse-grained models, nmr-assisted protein-structure modeling, unres
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Numerical FDM modelling of wave propagation in concrete structure
PublikacjaThe article presents application of finite difference method to damage detection and its size evaluation in concrete structure by elastic wave propagation method. The simulations of wave propagation in concrete structure were performed for six different damage scenarios. Damages were modelled as areas with changed material properties. Investigation focused on the influence of damage size on the energy of wave reflection. Presented...
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A new method of presosns identification based on comparative analysis of 3D face models
PublikacjaThe article presents the use of modern close range photogrammetry for possessing highly accurate 3D models of the human face (including the ears). Modern methods used to obtain precise data describing the construction of a human face, and even the whole human body, should allow to get finished measurement material in a very short time. Those features belong to the optical scanning technology. Comparative analysis of models of the...
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Modeling of performance of a AUV vehicle towards limiting the hydro-acoustic field.
PublikacjaSome results of research devoted to the modeling of a AUV-Stealth vehicle performance towards limiting its hydro-acoustic field are presented in the paper. At the beginning the AUV-Stealth autonomous underwater vehicle concept is described. Then the method of research is introduced. Next the key design drivers of the AUV-Stealth vehicle are presented. Between them are the AUV-Stealth hull form, arrangement of internal spaces,...
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X-Ray Structure Analysis Online
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Synthesis and crystal structure of ferrocenyl benzothiazole derivatives
PublikacjaNovel ferrocenyl-containing benzothiazole derivatives were synthesised in moderate yields by one-pot α-amidoalkylation of ferrocene. The reaction conditions were critically evaluated and the crystal structure of one of the amidoalkylated ferrocenes was resolved. Oxidation of the obtained compounds led to known fully aromatic 2-ferrocenylbenzothiazole in 81 % yield, which represents a convenient alternative to earlier methods utilizing...
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Chiral Pyrazolo[4,3-e][1,2,4]triazine Sulfonamides—Their Biological Activity, Lipophilicity, Protein Affinity, and Metabolic Transformations
PublikacjaReferring to our previous laboratory results related to the tyrosinase and urease inhibition by pyrazolo[4,3-e][1,2,4]triazine sulfonamides, we examined here in silico the mechanism of action at the molecular level of the investigated pyrazolotriazine sulfonamides by the molecular docking method. The studied compounds being evaluated for their cytotoxic effect against cancer cell lines (MCF-7, K-562) and for recombinant Abl and...
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Data-Driven Modeling of Mechanical Properties of Fiber-Reinforced Concrete: A Critical Review
PublikacjaFiber-reinforced concrete (FRC) is extensively used in diverse structural engineering applications, and its mechanical properties are crucial for designing and evaluating its performance. The compressive, flexural, splitting tensile, and shear strengths of FRCs are among the most important attributes, which have been discussed more extensively than other properties. The accurate prediction of these properties, which are required...
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Microwave-assisted synthesis of a TiO2-CuO heterojunction with enhanced photocatalytic activity against tetracycline
PublikacjaA microwave method was used for the synthesis of TiO2-CuO oxide systems. A detailed investigation was made of the effect of the molar ratio of components (TiO2:CuO=9:1, 7:3, 5:5, 3:7, 1:9) on the crystalline structure and morphology. Transmission electron microscopy (TEM) confirmed the presence of octahedral and rod-shaped titania particles and sheet copper(II) oxide particles; moreover, HRTEM analysis indicated the presence of...
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Modeling of luminance distribution in CAVE-type virtual reality systems
PublikacjaAt present, one of the most advanced virtual reality systems are CAVE-type (Cave Automatic Virtual Environment) installations. Such systems are usually consisted of four, five or six projection screens and in case of six screens arranged in form of a cube. Providing the user with a high level of immersion feeling in such systems is largely dependent of optical properties of the system. The modeling of physical phenomena plays nowadays...
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Numerical Modeling of Cone Penetration Test in Slightly Overconsolidated Clay with Arbitrary Lagrangian-Eulerian Formulation
PublikacjaIn this paper the results of the cone penetration test (CPT) modeling with the arbitrary Lagrangian-Eulerian (ALE) formulation provided by Abaqus software package have been presented. The study compares the cone resistance and sleeve friction obtained in numerical analysis with values measured in soundings performed in the uniform layer of clayey soil in the Koszalin area. The clay layer was found to be slightly overconsolidated...
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A Data-Driven Comparative Analysis of Machine-Learning Models for Familial Hypercholesterolemia Detection
PublikacjaThis study presents an assessment of familial hypercholesterolemia (FH) probability using different algorithms (CatBoost, XGBoost, Random Forest, SVM) and its ensembles, leveraging electronic health record data. The primary objective is to explore an enhanced method for estimating FH probability, surpassing the currently recommended Dutch Lipid Clinic Network (DLCN) Score. The models were trained using the largest Polish cohort...
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MULTIEQUATION MODELS AS DIAGNOSTIC TOOLS FOR MEASURING THE OPERATIONAL FLUIDITY OF THE CONTAINER HANDLING TERMINAL
PublikacjaThe article presents the continuation of the authors’ research on the problem of the operational fluidity of cargo handling sea terminals, based on the example of the DCT. The article presents a solution based on the multiequation models and applied to analyze the operational fluidity of terminals in the transshipment and feeder relation. To provide a solution to the problem of the functioning of sea-land supply chains at the terminal,...
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Advanced Macromodel Matrix Structure Cloning for FDTD
PublikacjaWe propose an improved macromodel-based techniquefor efficient analysis of the structures based on PhotonicCrystals (PhC). The technique involves a new structure of thecoupling matrix and advanced cloning of not only the macromodel matrices, but also the coupling matrices SE and SH.The method allows one to shorten considerably the preprocessingtime, the RAM usage and also the iterating speed of performingFDTD. With this...
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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublikacjaDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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Resonance in Rectangular Microstrip Structure Loaded with a Pseudochiral Medium Layer
PublikacjaA rectangular microstrip structure with multilayer substrate containing dielectric and pseudochiral medium layers is studied in this paper. The effect of Omega medium layer location in the substrate and its thickness on the complex resonant frequency of the rectangular microstrip structure is investigated.
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Chemical and biological characterization of Ocimum basilicum L. phenolic extract and essential oil derived through ultrasound and microwave-assisted extraction techniques
PublikacjaPlant-derived bioactive molecules are increasingly utilized in food processing as natural additives, driven by a growing interest in healthier lifestyles. This trend has spurred industries to reformulate products to meet the demands of health-conscious consumers. This study investigates the phenolic extract and essential oil of O. basilicum L. obtained via ultrasound-assisted extraction and microwave-assisted extraction, respectively. Characterization...
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Structure redetermination, transport and thermal properties of the YNi3Al9 compound
PublikacjaSingle crystals of completely ordered variant of the YNi3Al9 compound were grown by self-flux method with excess of aluminum. The crystal structure of the title compound was redetermined from single crystal X-ray diffraction data. The structure adopts ErNi3Al9 type, space group R32, parameters of the unit cell a = 7.2838(2) Å, c = 27.4004(8) Å. The growth of relatively large single crystals of the YNi3Al9 compound, having completely...
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Coulomb-Assisted Dissociative Electron Attachment: Application to a Model Peptide
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Microwave-assisted preparation of potato starch silicated with silicic acid
PublikacjaApplication of microwave irradiation for the silication of granular potato starch with silicic acid, and the properties of silicated starch were investigated. Potato starch was esterified on 20 min microwave irradiation of starch with silicic acid, applying the power of 450 or 800Wand, for comparison, on 120 min convectional heating of the reagent blend at 100 ◦C. The degree of esterification and the reaction efficiency did not...
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Intensification of free-convection heat transfer in magnetically assisted bioreactor
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Hybrid-Excited Permanent Magnet-Assisted Synchronous Reluctance Machine
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Hydrodynamic studies in magnetically assisted external-loop airlift reactor
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Lower Temperature Dehydrogenation of Methylcyclohexane by Membrane-assisted Equilibrium Shift
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Computer-assisted enzyme engineering by modification of tunnels, channels and gates
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Computer Assisted Proof of the Existence of a Periodic Orbit in the Rössler Equations
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On Computationally-Efficient Reference Design Acquisition for Reduced-Cost Constrained Modeling and Re-Design of Compact Microwave Passives
PublikacjaFull-wave electromagnetic (EM) analysis has been playing a major role in the design of microwave components for the last few decades. In particular, EM tools allow for accurate evaluation of electrical performance of miniaturized structures where strong cross-coupling effects cannot be adequately quantified using equivalent network models. However, EM-based design procedures (parametric optimization, statistical analysis) generate...
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TiO2-based magnetic nanocomposites with core-shell structure
PublikacjaThe main aim of the doctoral dissertation was preparation and characterization of photocatalysts, with particular emphasis on modified titanium (IV) oxide photocatalysts, which can be applied for the degradation of organic pollutants not susceptible to biodegradation. A particularly important aspect of the work was the development of preparation method of nanocomposites with the magnetic core-shell and photocatalyst shell (TiO2)...
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Procognitive activity of nitric oxide inhibitors and donors in animal models
PublikacjaNitric oxide is a small gaseous molecule that plays important roles in the majority of biological functions. Impairments of NO-related pathways contribute to the majority of neurological disorders, such as Alzheimer’s disease (AD), and mental disorders, such as schizophrenia. Cognitive decline is one of the most serious impairments accompanying both AD and schizophrenia. In the present study, the activities of NO donors, slow (spermine...
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Noise profiling for speech enhancement employing machine learning models
PublikacjaThis paper aims to propose a noise profiling method that can be performed in near real-time based on machine learning (ML). To address challenges related to noise profiling effectively, we start with a critical review of the literature background. Then, we outline the experiment performed consisting of two parts. The first part concerns the noise recognition model built upon several baseline classifiers and noise signal features...
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Effect of increased protein intake on the risk of female infertility
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The protein folding problem: global optimization of force fields
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Lipid-protein interactions in membranes: a molecular modelling study
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The SERRATE protein is involved in alternative splicing in Arabidopsis thaliana
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The SERRATE protein is involved in alternative splicing in Arabidopsis thaliana
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A bifunctional chimeric protein consisting of MutS and beta-galactosidase
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A bifunctional chimeric protein consisting of MutS and beta-galactoside
PublikacjaPraca pokazuje konstrukcję DNA plazmidowego kodującego bifunkcjonalne białko chimeryczne złożone z MutS Thermus thermophilus i beta-galaktozydazy E.coli, optymalizację jego ekspresji i oczyszczania. Białko to testowano w metodzie wykrywania mutacji punktowych, wykorzystując kolorymetryczne mierzenie aktywności domeny reporterowej beta galaktozydazy.
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Electrosynthesis of potato starch–whey protein isolate complexes
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublikacjaOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublikacjaOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Simulation of fluid structure interaction in a novel design of high pressure axial piston pump
PublikacjaA novel type of an axial, piston-driven high pressure hydraulic pump with variable capacity marks a significant improvement in the area of the hydraulic machinery design. Total discharge from hydrostatic forces eliminates a need for a servomechanism, thus simplifying operation, reducing weight and introducing the possibility of the pump displacement control by computer. PWK-type pumps, invented in the Gdansk University of Technology,...
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An advanced tool integrating failure and sensitivity analysis into novel modeling of the stormwater flood volume
PublikacjaAn innovative tool for modeling the specific flood volume was presented that can be applied to assess the need for stormwater network modernization as well as for advanced flood risk assessment. Field measurements for a catchment area in Kielce, Poland, were used to apply the model and demonstrate its usefulness. This model extends the capability of recently developed statistical and machine learning hydrodynamic models developed...
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STRUCTURE
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Construction of recombinant plasmid coding Borrelia burgdorferi sl B1 protein
Dane BadawczeDiagnosis of Lyme borreliosis (LB), an infection caused by spirochaetes of the B. burgdorferi sl species complex, is mainly based on clinical symptoms supported with serology and is often misdiagnosed in areas of endemicity. The complexity of the antigenic composition among the Borrelia genospecies and differential expression of proteins in host and...
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Construction of recombinant plasmid coding Borrelia burgdorferi sl B6 protein
Dane BadawczeDiagnosis of Lyme borreliosis (LB), an infection caused by spirochaetes of the B. burgdorferi sl species complex, is mainly based on clinical symptoms supported with serology and is often misdiagnosed in areas of endemicity. The complexity of the antigenic composition among the Borrelia genospecies and differential expression of proteins in host and...
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Construction of recombinant plasmid coding Borrelia burgdorferi sl B2 protein
Dane BadawczeDiagnosis of Lyme borreliosis (LB), an infection caused by spirochaetes of the B. burgdorferi sl species complex, is mainly based on clinical symptoms supported with serology and is often misdiagnosed in areas of endemicity. The complexity of the antigenic composition among the Borrelia genospecies and differential expression of proteins in host and...
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Construction of recombinant plasmid coding Borrelia burgdorferi sl B12 protein
Dane BadawczeDiagnosis of Lyme borreliosis (LB), an infection caused by spirochaetes of the B. burgdorferi sl species complex, is mainly based on clinical symptoms supported with serology and is often misdiagnosed in areas of endemicity. The complexity of the antigenic composition among the Borrelia genospecies and differential expression of proteins in host and...
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Construction of recombinant plasmid coding Borrelia burgdorferi sl B3 protein
Dane BadawczeDiagnosis of Lyme borreliosis (LB), an infection caused by spirochaetes of the B. burgdorferi sl species complex, is mainly based on clinical symptoms supported with serology and is often misdiagnosed in areas of endemicity. The complexity of the antigenic composition among the Borrelia genospecies and differential expression of proteins in host and...
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Empirical Adjustment of the Selected Propagation Models for Application in the Peculiar Environment of the Container Terminal
PublikacjaIt is important to look for any propagation model that could be useful for designing mobile radio systems in container terminal environment. Selected propagation models have been investigated. The applied research methodology has been described too. Results of the statistical adjustment in terms of signal loss determination in such environment have been analysed. The analysis has proved effectiveness of adjustment by increasing...
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The congruence of mental models in entrepreneurial teams – implications for performance and satisfaction in teams operating in an emerging economy
PublikacjaPurpose – The paper aims to explore the relationship between the congruence of mental models held by the members of entrepreneurial teams operating in an emerging economy (Poland) and entrepreneurial outcomes (performance and satisfaction). Design/methodology/approach – The data obtained from 18 nascent and 20 established entrepreneurial teams was analysed to answer hypotheses. The research was quantitative and was conducted using...
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Nonlocal models Nonlocal Models of Plates and Shells with Applications in Micro- and Nanomechanics
ProjektyProjekt realizowany w Politechnika Gdanska zgodnie z porozumieniem 00000000000 z dnia 2019-10-01