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Search results for: coarse-graining
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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublicationThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublicationOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Invasive Assessment of the Myocardial Microcirculation during Beating Heart Coronary Artery Bypass Grafting
PublicationCoronary artery bypass grafting may be associated with several cardiac complications, including ischemia, acute myocardial infarction, arrhythmias, or hemodynamic instability. Accumulating evidence suggests that well-developed coronary collateral circulation may protect against adverse effects, including myocardial ischemia. Assessment of myocardial microvascular perfusion is, therefore, of great clinical interest in beating heart...
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Enhancing the Effectiveness of the Diamond Metal Bond Instrument when Grinding High-Strength Materials
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Initial Stages of Angiosperm Greening Monitored by Low-Temperature Fluorescence Spectra and Fluorescence Lifetimes
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Utility of an unitary-shredding method to evaluate the conditions and selection of constructional features during grinding
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Analysis of possibility and purposefulness of application of waste-heat boilers to trailing suction hopper dredgers
PublicationThis paper presents an analysis of possibility and purposefulness of application of waste-heat boilers to trailing suction hopper dredgers. Using results of own operational research on dredgers this author determined thermal power demand for six hypothetical trailing suction hopper dredgers of various size, at accounting for a type of power system and kind of fuel combusted by dredger's power plant. By means of basic indices of...
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Operational loads of diesel engines on trailing suction hopper dredgers in their main service states
PublicationArtykuł przedstawia wyniki badań eksploatacyjnych ośmiu pogłębiarek ssących nasiębiernych. Badania eksploatacyjne obejmowały pomiary parametrów charakteryzujących warunki pracy dwóch podstawowych elementów układów energetycznych pogłębiarek: silników głównych i pomocniczych.
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Greening procedures and analytical parameters. The polychlorinated naphthalenes analysis in complex matrices as proof of concept
PublicationDue to the complexity of analytical procedures employed for the determination of wide spectrum of persistent organic pollutants (POPs), it is important to consider the green character of the applied protocols and propose the greenest solutions. In this review, the green aspects of several analytical procedures used for the determination of polychlorinated naphthalenes (PCNs) (as a representatives of POPs) in different types of...
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Modeling and Accuracy Assessment of Determining the Coastline Course Using Geodetic, Photogrammetric and Satellite Measurement Methods: Case Study in Gdynia Beach in Poland
PublicationThe coastal environment represents a resource from both a natural and economic point of view, but it is subject to continuous transformations due to climate change, human activities, and natural risks. Remote sensing techniques have enormous potential in monitoring coastal areas. However, one of the main tasks is accurately identifying the boundary between waterbodies such as oceans, seas, lakes or rivers, and the land surface....
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Subjective tests for gathering konwledge for applaying color grading to video clips automatically
PublicationThe analysis of film music concerning caused emotions may allow for a more accurate adaptation of the color of the film in the context of color grading. Therefore, this paper aims to gather knowledge on the correlation between the applied color palette to a video clip, music associated with a particular shot,and emotions evoked. For that purpose, subjective tests are prepared in which several video clips are presented with...
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A Concept of Automatic Film Color Grading Based on Music Recognition and Evoked Emotions
PublicationThe article presents the aspects of the final selection of the color of shots in film production based on the psychology of color. First of all, the elements of color processing, contrast, saturation or white balance in the film shots were presented and the definition of color grading was given. In the second part of the article the analysis of film music was conducted in the context of stimulating appropriate emotions while watching...
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Subjective tests for gathering knowledge for applying color grading to video clips automatically
PublicationThe analysis of film music concerning caused emotions may allow for a more accurate adaptation of the color of the film in the context of color grading. Therefore, this paper aims to gather knowledge on the correlation between the applied color palette to a video clip, music associated with a particular shot, and emotions evoked. For that purpose, subjective tests are prepared in which several video clips are presented with or...
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Optical properties of a dielectric slab front-loaded with a grating of plasmonic silver nanowires
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Grazing bifurcation and chaotic oscillations of vibro-impact systems with one degree of freedom
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EXTREME RAINFALLS AS A CAUSE OF URBAN FLASH FLOODS; A CASE STUDY OF THE ERBIL-KURDISTAN REGION OF IRAQ
PublicationAim of the study The current paper aims to give a detailed evaluation and analysis of some extreme rainfall events that happened in the last decade in terms of spatial and temporal rainfall distribution, intensity rate, and exceedance probability. Moreover, it examines the effects of each analysed aspect on the resulting flash floods in the studied area. Material and methods In their glossary of meteorology, American Meteorology...
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Effect of exercise training on insulin sensitivity, mitochondria and computed tomography muscle attenuation in overweight women with and without polycystic ovary syndrome
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Response to the letter to the Editor regarding the article “Vaccine versus infection - COVID-19-related loss of training time in elite athletes”
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Influence of a Six-Week Swimming Training with Added Respiratory Dead Space on Respiratory Muscle Strength and Pulmonary Function in Recreational Swimmers
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The Influence of the Depth of Cut in Single-Pass Grinding on the Microstructure and Properties of the C45 Steel Surface Layer
PublicationThe paper contains the results of a metallographic examination and nanoindentation test conducted for the medium carbon structural steel with low content of Mn, Si, Cu, Cr, and Ni after its grinding to a depth ranging from 2 μm to 20 μm, at constant cutting speed (peripheral speed) of vs = 25 ms−1 and constant feed rate of vft = 1 m/min. Applied grinding parameters did not cause the surface layer hardening, which could generate...
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Efficiency of hybrid equipment combining operations of surface hardening by high frequency currents and abrasive grinding
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Joint fingerprinting and decryption method for color images based on quaternion rotation with cipher quaternion chaining
PublicationThis paper addresses the problem of unauthorized redistribution of multimedia content by malicious users (pirates). In this method three color channels of the image are considered a 3D space and each component of the image is represented as a point in this 3D space. The distribution side uses a symmetric cipher to encrypt perceptually essential components of the image with the encryption key and then sends the encrypted data via...
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Risk factors of depressive and anxiety symptoms 8 years after coronary artery bypass grafting
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Analysis of Roughness, the Material Removal Rate, and the Acoustic Emission Signal Obtained in Flat Grinding Processes
PublicationIn this work, the analysis of the acoustic emission (AE) signal in grinding processes is addressed. The proposed analysis method decomposes the acoustic signal into three frequency ranges. The total energy of each range is determined, as well as the highest frequency. Different grinding experiments were carried out, according to a full factorial design of experiments (DOE), in which feed speed, depth of cut, and transversal step...
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Grafting and reactive extrusion technologies for compatibilization of ground tyre rubber composites: Compounding, properties, and applications
PublicationChemical modification of ground tyre rubber (GTR) to compatibilize it with the matrix is a well-known approach. Based on our recent review of the surface etching methods used in GTR modification, the purpose of the current work is to take a deeper look into more advanced methods such as grafting and reactive extrusion. While grafting is more efficient in achieving compatibility, however, it usually involves multi-step synthesis...
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The use of Preston equation to determine material removal during lap-grinding with electroplated CBN tools
PublicationGrinding 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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Modelling Coarse Particulate Matter PM10 Concentration in the Tricity Area Using GIS
PublicationEnvironmental pollution is an issue of global concern, with Particulate Matter (PM) poisoning being a prime cause of lung cancer. This has led the European Commission to establish strict daily and annual PM concentration limits. The monitoring of air quality in major cities is the responsibility of European Member States. The Tricity, a 414.81 km 2 area in northern Poland, is monitored by a network of only 9 stations operated by...
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Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
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Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer
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Effects of Contamination with Gasoline and Diesel Oil on Shear Strength of Coarse Grained Soil
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Local and long range potentials for heparin‐protein systems for coarse‐grained simulations
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Experimental and Numerical Analysis of Air Trapping in a Porous Medium with Coarse Textured Inclusions
PublicationThe paper presents a 2D upward infiltration experiment performed on a model porous medium consisting of fine sand background with two inclusions made of coarser sands. The purpose of the experiment was to investigate the effects of structural air trapping, which occurs during infiltration as a result of heterogeneous material structure. The experiment shows that a significant amount of air becomes trapped in each of the inclusions. Numerical...
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Learning design of a blended course in technical writing
PublicationBlending face-to-face classes with e-learning components can lead to a very successful outcome if the blend of approaches, methods, content, space, time, media and activities is carefully structured and approached from both the student’s and the tutor’s perspective. In order to blend synchronous and asynchronous e-learning activities with traditional ones, educators should make them inter-dependent and develop them according to...
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Alternative methods for dark fermentation course analysis
PublicationDark fermentation course analysis is crucial, as complexed matrix of gaseous components may be formed and revealed during the process. The paper considers key issues related to the microbiological process in which complex organic substances are transformed into hydrogen. For the purposes of hydrogen generation, the application of wastewater mixed sludge pre-treated according to Faloye method (Faloye et al. in Int J Hydrog Energy...
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Issues of Measuring the Course of Batch Production Processes
PublicationIn order to meet demands induced by development of manufacturing processes and production systems, new criteria and indicators that would allow a multiple aspect and realistic rating of batch production process courses are necessary. The objective of this paper is to present the correlation between production processes measurement, its rating and production control, basing on case study analysis from production enterprise. A new...
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The application of the Superpave method of climatic zones analysis in Poland with regard to bitumen performance grading
PublicationCurrently in Poland, similarly as in the other EU countries, road bitumens are tested and classified with regard to mainly the penetration value determined at the tempera-ture of 25C. It should be noted that this classification is not correlated with the cli-matic conditions in which the bitumens are to serve in the road pavement. Towards the end of the last century a new system of bitumen grading was developed and im-plemented...
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Asymptotic approximations of lasing eigenvalues of an infinite grating of circular quantum wires in the free space
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Impact of Extensive Sheep Grazing on the Biochemical Status of Soils of the Grassland Habitat of Natura 2000
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Improvement of Attention, Executive Functions, and Processing Speed in Elderly Women as a Result of Involvement in the Nordic Walking Training Program and Vitamin D Supplementation
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Sizes and Shapes of Sea Ice Floes Broken by Waves–A Case Study From the East Antarctic Coast
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Preoperative factors predicting saphenous vein graft occlusion in coronary artery bypass grafting: a multivariate analysis
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Histological evaluation of age-related variations in saphenous vein grafts used for coronary artery bypass grafting
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Trailing-Edge Separation Control of a NACA 0015 Airfoil Using Dielectric-Barrier-Discharge Plasma Actuators
PublicationThis paper presents a part of the works conducted in the Plasmaero European project (task 3.1), where the trailing-edge flow separation of a NACA 0015 airfoil has been controlled using four different dielectric barrier discharge (DBD) actuator types at three institutions across Europe. The results show that it is possible to enhance the aerodynamic performance of aircraft at speeds up to 40 m/s. Dielectric-barrier-discharge vortex...
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Replica Exchange and Multicanonical Algorithms with the Coarse-Grained United-Residue (UNRES) Force Field
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Erratum to: Coarse-grained model of the native cellulose Iα and the transformation pathways to the Iβ allomorph
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Elastic moduli of biological fibers in a coarse-grained model: crystalline cellulose and β-amyloids
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Robots for Elderly Care: Review, Multi-Criteria Optimization Model and Qualitative Case Study
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublicationWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...