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Wyniki wyszukiwania dla: FTO PROTEIN INHIBITORS ANTI-OBESITY MOLECULAR DOCKING BINDING AFFINITY MOLECULAR DYNAMICS SIMULATION
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<p>Experience of Polish Patients with Obesity in Contacts with Medical Professionals</p>
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Smoking and obesity associatedBDNFgene variance predicts total and cardiovascular mortality in smokers
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European Society of Hypertension Working Group on Obesity: background, aims and perspectives
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Does Obesity Influence Women’s Decision Making about the Mode of Delivery?
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Obesity, Bariatric Surgery and Obstructive Sleep Apnea—A Narrative Literature Review
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Application of quartz crystal microbalance and dynamic impedance spectroscopy to the study of copper corrosion inhibitors
PublikacjaThe study investigates the application of Dynamic Electrochemical Impedance Spectroscopy (DEIS) and Electrochemical Quartz Crystal Microbalance (EQCM) techniques to examine the corrosion inhibition of copper by Benzotriazole and Sodium Folate in a 0.1 M NaCl solution. DEIS, an advanced version of Electrochemical Impedance Spectroscopy (EIS), allows for real-time monitoring of non-stationary electrochemical systems,...
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Biomass-Derived Nitrogen Functionalized Carbon Nanodots and Their Anti-Biofouling Properties
PublikacjaThe prevalence of the antibiotic resistant bacteria remains a global issue. Cheap, sustainable and multifunctional antibacterial membranes are at the forefront of filtrating materials capable of treating multiple flow streams, such as water cleansing treatments. Carbon nanomaterials are particularly interesting objects shown to enhance antibacterial properties of composite materials. In this article, amino-functionalized, photoluminescent...
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Analysis of the risk factors for perioperative morbidity after laparoscopic revisional bariatric procedures: results from the multicenter Polish Revision Obesity Surgery Study
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublikacjaOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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Transmission protocol simulation framework for the resource-constrained sensor network
PublikacjaIn this paper the simulation framework for simulation of the sensor network protocol is presented. The framework enables the simultaneous development of the sensor network software and the protocol for the wireless data transmission. The advantage of using the framework is the convergence of the simulation with the real software, because the same software is used in real sensor network nodes and in the simulation framework. The...
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M-integral for finite anti-plane shear of a nonlinear elastic matrix with rigid inclusions
PublikacjaThe path-independent M-integral plays an important role in analysis of solids with inhomogeneities. However, the available applications are almost limited to linear-elastic or physically non-linear power law type materials under the assumption of infinitesimal strains. In this paper we formulate the M-integral for a class of hyperelastic solids undergoing finite anti-plane shear deformation. As an application we consider the problem...
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Developing competences of IT project managers using simulation games
PublikacjaProject Management is a domain in which methodological approach is developing very rapidly. Project managers are required to present knowledge of the various methods of project management and apply them to the management of specific projects. It means that project managers must constantly develop their competence, mainly based on good practices from different formal methods of project management. The purpose of this article is...
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Power System Dynamics. Stability and Control. 3rd edition
PublikacjaComprehensive, state-of-the-art review of information on the electric power system dynamics and stability. It places the emphasis first on understanding the underlying physical principles before proceeding to more complex models and algorithms. The book explores the influence of classical sources of energy, wind farms and virtual power plants, power plants inertia and control strategy on power system stability. The book cover...
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Two bacterial small heat shock proteins, IbpA and IbpB, form a functional heterodimer
PublikacjaSmall heat shock proteins (sHsps) are a conserved class of ATP-independent chaperones which in stress conditions bind to unfolded protein substrates and prevent their irreversible aggregation. Substrates trapped in sHsps-containing aggregates are efficiently refolded into native structures by ATP-dependent Hsp70 and Hsp100 chaperones. Most γ-proteobacteria possess a single sHsp (IbpA), while in a subset of Enterobacterales, as...
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublikacjaCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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Agent-based social network as a simulation of a market behaviour
PublikacjaRecent years and the outbreak of world's economic crisis in 2008 proved the crucial importance of reliable analysis of market dynamics. However, werarely apply models of proper detail level (the global prosperity forecast of 2007 can be seen as a grim proof). The behaviour of individuals and companies is far from being ideal and rational. Many claims that the economic paradigm of rational expectations (coming from J. Muth and R....
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Numerical simulation of laminate composite specimens failure
PublikacjaThis work presents some numerical results concerning simulation of failure of laminate composite specimens. In the article two tests to determine ultimate strength in an orthotropic layer, are considered: tension (TT1) and compression (TC1) test. The outcome is compared with experimental data provided by [9,10].
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Image simulation and annotation for color blinded
PublikacjaIn this paper methods for image simulation as seen by a color blinded and a method for constructing images of perceived color difference are presented. The work is also focused on the interactive color description of an image contents. As a result, the individuals having problems with color discrimination can identify colors in an image.W artykule prezentowane są metody symulacji kolorów w obrazach postrzeganych przez osoby ze...
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Circular saw vibrations or dynamics of the spindle
PublikacjaSawing of wood with circular saws is a typical example of cutting with multi-blade tools. In that kind of cutting, theposition accuracy of following tool blades is a crucial factor which affects the cutting process and machining final effects.Position tooth errors may cause deterioration in cutting conditions, changes in loads of individual teeth and the tool as a whole,and also a decrease in accuracy and surface quality after...
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Towards Scalable Simulation of Federated Learning
PublikacjaFederated learning (FL) allows to train models on decentralized data while maintaining data privacy, which unlocks the availability of large and diverse datasets for many practical applications. The ongoing development of aggregation algorithms, distribution architectures and software implementations aims for enabling federated setups employing thousands of distributed devices, selected from millions. Since the availability of...
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The Protein Folding Problem
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CD99 correlates with low cyclin D1, high topoisomerase 2 status and triple negative molecular phenotype but is prognostically irrelevant in breast carcinoma
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Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric silver(I) complex. Chiroptical spectra, racemization barrier and molecular self-assembly
PublikacjaN,N'-dimetyloditiodiantranilid, związek o chiralności płaszczyznowej, rozdzielono na enancjomery. Optycznie czynne molekuły uzyskano w wyniku tworzenia chiralnego kompleksu N,N'-dimetyloditiodiantranilidu z solą srebrową kwasu (1S)-kamforosulfonowego. W oparciu o badania rentgenostrukturalne monokryształu uzyskanego kompleksu określono absolutną konfigurację przykoordynowanego ligandu jako (R). Enancjomery N,N'-dimetyloditiodiantranilid...
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Human Umbilical Vein Endothelial Cells (HUVECs) Co-Culture with Osteogenic Cells: From Molecular Communication to Engineering Prevascularised Bone Grafts
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Water vapor induced self-assembly of islands/honeycomb structure by secondary phase separation in polystyrene solution with bimodal molecular weight distribution
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Simulation model of IPMSM drive with rotor position estimator
PublikacjaThe paper presents a simulation model of electric drive consisting of: IPMSM motor, inverter and digital controller. The model was designed in Mathlab/Simulink. By modelling of the controller its discrete operation was taken into account in order to simulate precisely a specific sensorless control algorithm. A method for estimation of angular rotor position was proposed. Its mathematical algorithm was explained and errors were...
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Bias-Dependent Dynamics of Degradation and Recovery in Perovskite Solar Cells
PublikacjaDegradation of perovskite solar cells (PSCs) is often found to be partially or fully reversible when the cells are allowed to recover in the dark. Unlike the dynamics of degradation, knowledge about the dynamics of PSC cell recovery is very limited. Here, we demonstrate that the PSC recovery strongly depends on the electrical bias conditions during the light-induced degradation and that it can be manipulated by applying an external...
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Dynamics of Field Line Mappings in Magnetic Flux Tubes
PublikacjaWe study the topological constraints on the dynamics of magnetic field lines in flux tubes. Our approach is based on the application of the topological invariant: fixed point index. We consider periodic flux tubes and find various restrictions on the field lines that come from the sequence of fixed point indices of iterations. We also analyze the case of a tube with a cylindrical obstacle, deducing some special dynamical properties...
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Towards detecting programmers’ stress on the basis of keystroke dynamics
PublikacjaThe article describes the idea of detecting stress among programmers on the basis of keystroke dynamics. An experiment with a group of students of artificial intelligence classes was performed. Two samples of keystroke data were recorded for each case, the first while programming without stress, the second under time pressure. A number of timing and frequency parameters were calculated for each sample. Then statistical analysis...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Irreversible alterations in the hemoglobin structure affect oxygen binding in human packed red blood cells
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Structural Control of Photoinduced Dynamics in 4H-Imidazole- Ruthenium Dyes
PublikacjaThe photoinduced dynamics of a series ofterpyridine 4H-imidazole-ruthenium complexes, which constitutea new family of panchromatic dyes, is investigated. Thedynamics involves two excited states localized within the 4Himidazolesphere. Upon MLCT excitation, an excited state ispopulated, which is localized on the central part of the 4Himidazoleligand caused by its nonplanar conformation. Thepopulation of the second excited state is...
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Keystroke Dynamics Patterns While Writing Positive and Negative Opinions
PublikacjaThis paper deals with analysis of behavioural patterns in human–computer interaction. In the study, keystroke dynamics were analysed while participants were writing positive and negative opinions. A semi-experiment with 50 participants was performed. The participants were asked to recall the most negative and positive learning experiences (subject and teacher) and write an opinion about it. Keystroke dynamics were captured and...
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Simulation investigation of perovskite-based solar cells
PublikacjaThree models of thin-layer lead-halide perovskite solar cells with different electron-transport layers (TiO2,SnO2,ZnO) were investigatedby the simulation method. The perovskite layer thickness was optimized for all the systems. The analysis of the standard photovoltaic cell performanceparameters at various operating temperatures was performed. The best performance was achieved for the system with theSnO2conductive layer.
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Simulation of Parallel Applications on Large-scale Distributed Systems
PublikacjaThis chapter has a form of a review article in the field of simulating High-Performance Computing systems. We justify the need for a new versatile simulator considering heterogeneity, energy efficiency and reliability of HPC systems. We sketch the problems that need to be solved by such simulator and rationalize using discrete-event simulation for this purpose. Based on a review of existing discrete-event HPC simulation solutions...
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Prediction of coking dynamics for wet coal charge
PublikacjaA one-dimensional transient mathematical model describing thermal and flow phenomena during coal coking in an oven chamber was studied in the paper. It also accounts for heat conduction in the ceramic oven wall when assuming a constant temperature at the heating channel side. The model was solved numerically using partly implicit methods for gas flow and heat transfer problems. The histories of temperature, gas evolution and internal...
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New potent cathepsin G phosphonate inhibitors
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ACEI and ARB — Each Unique RAAS Inhibitors
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Inhibitors of amino acids biosynthesis as antifungal agents
PublikacjaFungal microorganisms, including the human pathogenic yeast and filamentous fungi, are able to synthesize all proteinogenic amino acids, including nine that are essential for humans. A number of enzymes catalyzing particular steps of human-essential amino acid biosynthesis are fungi specific. Numerous studies have shown that auxotrophic mutants of human pathogenic fungi impaired in biosynthesis of particular amino acids exhibit...
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Catalytic topoisomerase II inhibitors in cancer therapy.
PublikacjaDNA topoizomeraza II jest jednym z głównych celów molekularnych dla leków stosowanych w terapii przeciwnowotworowej. Wszystkie inhibitory tego enzymu są zdolne do zakłócania w jeden z etapów cyklu katalitycznego topoizomerazy II. Związki, które stabilizują kowalencyjny kompleks DNa i topoizomerazy II (znany jako kompleks rozszczepialny) są nazywane truciznami topoizomerazy, inne związki, które hamują aktywność enzymu na innych...
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
PublikacjaRNA protein interactions (RPI) play a pivotal role in the regulation of various biological processes. Experimental validation of RPI has been time-consuming, paving the way for computational prediction methods. The major limiting factor of these methods has been the accuracy and confidence of the predictions, and our in-house experiments show that they fail to accurately predict RPI involving short RNA sequences such as TERRA RNA....
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The Dynamics of Trade Relations between Ukraine and Romania: Modelling and Forecasting
PublikacjaThe article examines the monthly dynamics of exports, imports and balance of trade between Ukraine and Romania in the period from 2005 to 2021. Time series from 2015 to 2021 were used for modelling and forecasting (since the date the European Union–Ukraine Association Agreement took effect). Adequate models of the dynamics series of the Box-Jenkins methodology were built: additive models with seasonal component ARIMA (Autoregressive...
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Electromagnetic Simulation with 3D FEM for Design Automation in 5G Era
PublikacjaElectromagnetic simulation and electronic design automation (EDA) play an important role in the design of 5G antennas and radio chips. The simulation challenges include electromagnetic effects and long simulation time and this paper focuses on simulation software based on finite-element method (FEM). The state-of-the-art EDA software using novel computational techniques based on FEM can not only accelerate numerical analysis, but...
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X-ray and UV Radiation Damage of dsDNA/Protein Complexes
PublikacjaRadiation and photodynamic therapies are used for cancer treatment by targeting DNA. However, efficiency is limited due to physico-chemical processes and the insensitivity of native nucleobases to damage. Thus, incorporation of radio- and photosensitizers into these therapies should increase both efficacy and the yield of DNA damage. To date, studies of sensitization processes have been performed on simple model systems, e.g.,...
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Induced-fit binding of laccase to gold and carbon electrodes for the biological fuel cell applications
PublikacjaAnalogues of laccase natural substrates (syringic, veratric, ferulic, vanillic, isovanillic, 3,5-dimethoxybenzoic aldehydes) were employed to bind and orient laccase molecules in a way which facilitates adsorption of the catalyst molecules and their electrical connection with the conductive support. Laccase was bound efficiently to these substrates both on gold and carbon electrodes forming, respectively, 2D and 3D films sensitive...
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Multi-agent large-scale parallel crowd simulation
PublikacjaThis paper presents design, implementation and performance results of a new modular, parallel, agent-based and large scale crowd simulation environment. A parallel application, implemented with C and MPI, was implemented and run in this parallel environment for simulation and visualization of an evacuation scenario at Gdansk University of Technology, Poland and further in the area of districts of Gdansk. The application uses a...
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Enhancing colloidal stability of nanodiamond via surface modification with dendritic molecules for optical sensing in physiological environments
PublikacjaPre-treatment of diamond surface in low-temperature plasma for oxygenation and in acids for carboxylation was hypothesized to promote the branching density of the hyperbranched glycidol polymer. This was expected to increase the homogeneity of the branching level and suppress interactions with proteins. As a result, composite nanodiamonds with reduced hydrodynamic diameters that are maintained in physiological environments were...
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New potent steroid sulphatase inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives
PublikacjaIn the present work, we report a new class of potent steroid sulphatase (STS) inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives. Within the set of new STS inhibitors, 6-(1-(1,2,3-trifluorophenyl)-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate 3L demonstrated the highest activity in the enzymatic assay inhibiting the STS activity to 7.98% at 0.5 µM concentration. Furthermore, to verify...
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Tracing of dynamic objects in distributed interactive simulation systems
PublikacjaDistributed interactive simulation systems require integration of several areas of computer science and applied mathematics to enable each individual simulation object to visualize effectively dynamic states of other objects. Objects are unpredictable,i.e., controlled by their local operators, and are remote, i.e., must rely on some transmission media to visualize dynamic scene from their local perspectives. The paper...
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Potential of Bacterial Cellulose Chemisorbed with Anti-Metabolites, 3-Bromopyruvate or Sertraline, to Fight against Helicobacter pylori Lawn Biofilm
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