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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Active Annotation in Evaluating the Credibility of Web-Based Medical Information: Guidelines for Creating Training Data Sets for Machine Learning
PublicationMethods Results Discussion References Abbreviations Copyright Abstract Background: The spread of false medical information on the web is rapidly accelerating. Establishing the credibility of web-based medical information has become a pressing necessity. Machine learning offers a solution that, when properly deployed, can be an effective tool in fighting medical misinformation on the web. Objective: The aim of this study is to...
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EFFECT OF SURFACE STATE AND STRESS ON AN OXIDATION OF THE ZIRCALOY-2 ALLOY
PublicationZr alloys are widely used as materials for nuclear fuel pellets in the nuclear industry. In the case of the LOCA or RIA happen, a temperature may locally reach high values. Even if the high temperature maintains shortly, the zirconium oxides may become permeable, absorb hydrogen appearing in cooling water from decomposition reaction and crack because of formation and brittle failure of hydrides. Such model cannot so far take into...
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Underwater Wet Repair Welding of API 5L X65M Pipeline Steel
PublicationThis paper presents results of the research of effect of polymer insulation of pipeline made of API 5L X65M steel as well as underwater wet welding parameters on properties of joints made by covered electrodes. Effect of heat input on structure and hardness of joints during repair of underwater pipeline was analyzed. Welding defects like microcracks, micro-lacks of fusion, slag inclusions, as well as HAZ hardness increase over...
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Smart Virtual Product Development: Manufacturing Capability Analysis and Process Planning Module
PublicationSmart Virtual Product Development (SVPD) system provides effective use of information, knowledge, and experience in industry during the process of product development in Industry 4.0 scenario. This system comprises of three primary modules, each of which has been developed to cater to a need for digital knowledge capture for smart manufacturing in the areas of product design, production planning, and inspection planning. Manufacturing...
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Detection of anomalies in bee colony using transitioning state and contrastive autoencoders
PublicationHoneybees plays vital role for the environmental sustainability and overall agricultural economy. Assisting bee colonies within their proper functioning brings the attention of researchers around the world. Electronics systems and machine learning algorithms are being developed for classifying specific undesirable bee behaviors in order to alert about upcoming substantial losses. However, classifiers could be impaired when used...
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Towards bees detection on images: study of different color models for neural networks
PublicationThis paper presents an approach to bee detection in videostreams using a neural network classifier. We describe the motivationfor our research and the methodology of data acquisition. The maincontribution to this work is a comparison of different color models usedas an input format for a feedforward convolutional architecture appliedto bee detection. The detection process has is based on a neural...
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A new approach to design of weather disruption-tolerant wireless mesh networks
PublicationWireless Mesh Networks, offering transmission rates of 1–10 Gb/s per a millimeter-wave link (utilizing the 71–86 GHz band) seem to be a promising alternative to fiber optic backbone metropolitan area networks because of significantly lower costs of deployment and maintenance. However, despite providing high transmission rates in good weather conditions, high-frequency wireless links are very susceptible to weather disruptions....
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Analysis of IMS/NGN Call Processing Performance Using Phase-Type Distributions Based on Experimental Histograms
PublicationThe paper describes our further research done with the proposed analytical and simulation traffic models of the Next Generation Network (NGN), which is standardized for delivering multimedia services with strict quality and includes elements of the IP Multimedia Subsystem (IMS). The aim of our models of a single IMS/NGN domain is to evaluate two standardized call processing performance parameters, which appropriate values are very...
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INVESTIGATION OF THE EFFECT OF THE ROCKET'S SUBORBITAL FLIGHT ON BIOFILM, ENZYMES AND BIOSYNTHESIS ON AUTONOMOUS, MODULAR AND SCALABLE PLATFORM FOR CONDUCTING EXPERIMENTS OF AN ASTROBIOTECHNOLOGICAL NATURE
PublicationWith new incentives for human space exploration, biotechnological experiments in orbit became imperative.Answering this need, we build an autonomous, modular, and scalable platform that enables those experiments onrockets. We called it AMBER. The aim of the payload of the R6 suborbital rocket is to perform an experiment tostudy the influence of rocket flights on biofilm, molecular...
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Analysis of IMS/NGN call processing performance using phase-type distributions
PublicationThis work is a continuation of our research on the traffic model dedicated for design and analysis of the Next Generation Network (NGN), which is standardized for distribution of current and future multimedia services based on the IP Multimedia Subsystem (IMS). Our analytical and simulation models allow evaluation of mean Call Set-up Delay E(CSD) as well as mean Call Disengagement Delay E(CDD) in a single domain of IMS/NGN. Ensuring...
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Microplastics in water resources: Global pollution circle, possible technological solutions, legislations, and future horizon
PublicationBeneath the surface of our ecosystems, microplastics (MPs) silently loom as a significant threat. These minuscule pollutants, invisible to the naked eye, wreak havoc on living organisms and disrupt the delicate balance of our environment. As we delve into a trove of data and reports, a troubling narrative unfolds: MPs pose a grave risk to both health and food chains with their diverse compositions and chemical characteristics....
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Low temperature growth of diamond films on optical fibers using Linear Antenna CVD system
PublicationIt is not trivial to achieve a good quality diamond-coated fibre interface due to a large difference in the properties and composition of the diamond films (or use coating even) and the optical fibre material, i.e. fused silica. One of the biggest problems is the high temperature during the deposition which influences the optical fibre or optical fibre sensor structure (e.g. long-period gratings (LPG)). The greatest advantage of...
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The Simulation of Activated Sludge System for Optimization of Predictive Aeration at Large WWTP
PublicationEffective use of biodegradable substrates as an internal carbon sources (ICS) for denitrification and EBPR and predicting performance of aeration systems during nitrification in activated sludge bioreactors, may be useful in realization the sustainable development by potentially saving energy consumption at WWTPs. A large number of WWTPs use activated sludge systems with an integrated removal of carbon, nitrogen and phosphorus...
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Molecular basis for the DNA damage induction and anticancer activity of asymmetrically substituted anthrapyridazone PDZ-7
Publicationnthrapyridazones, imino analogues of anthraquinone, constitute a family of compounds with remarkable anti-cancer activity. To date, over 20 derivatives were studied, of which most displayed nanomolar cytotoxicity towards broad spectrum of cancer cells, including breast, prostate and leukemic ones. BS-154, the most potent derivative, had IC50 values close to 1 nM, however, it was toxic in animal studies. Here, we characterize another...
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Smooth orthogonal projections on sphere.
PublicationWe construct a decomposition of the identity operator on the sphere S^d as a sum of smooth orthogonal projections subordinate to an open cover of S^d. We give applications of our main result in the study of function spaces and Parseval frames on the sphere.
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The Challenge of Quantification: An Interdisciplinary Reading
PublicationThe present work looks at what we call “the multiverse of quantification”, where visible and invisible numbers permeate all aspects and venues of life. We review the contributions of different authors who focus on the roles of quantification in society, with the aim of capturing different and sometimes separate voices. Several scholars, including economists, jurists, philosophers, sociologists, communication and data scientists,...
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Estimation of the size of informal employment based on administrative records with non‐ignorable selection mechanism
PublicationIn this study, we used company level administrative data from the National Labour Inspectorate and The Polish Social Insurance Institution in order to estimate the prevalence of informal employment in Poland in 2016. Since the selection mechanism is non‐ignorable, we employed a generalization of Heckman’s sample selection model assuming non‐Gaussian correlation of errors and clustering by incorporation of random effects. We found...
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The role of low-energy electrons in the charging process of LISA test masses
PublicationThe estimate of the total electron yield is fundamental for our understanding of the test-mass charging associated with cosmic rays in the Laser Interferometer Space Antenna (LISA) Pathfinder mission and in the forthcoming gravitational wave observatory LISA. To unveil the role of low energy electrons in this process owing to galactic and solar energetic particle events, in this work we study the interaction of keV and sub-keV...
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Study on population dynamics for triple-linked food chain using a simulation-based approach
PublicationThe procedures based on simulation have become a feasible testing method that does not require investing valuable resources to create a concrete prototype, especially with the increasing computational power of computers. Thus, design changes can be adopted and design errors can be fixed before it is too late. Simulation turns to be a cheap, safe and often more acceptable from an ethical perspective. In our work we summarize the...
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Small Urban Hacks - Big Impact! Tackling major urban challenges through acupunctural smallness
PublicationSmall urban hacks, acupunctural action and process-oriented planning approaches might appear to address quite a socio-romantic attitude towards our urban environments. In this chapter, our aim is to remedy such a biased view, demonstrating the impact and potential of smallness in the context of major urban challenges. Small urban hacks and their multi-faceted and creativity-driven approaches of small is beautiful are selected from...
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Local response surface approximations and variable-fidelity electromagnetic simulations for computationally efficient microwave design optimisation
PublicationIn this study, the authors propose a robust and computationally efficient algorithm for simulation-driven design optimisation of microwave structures. Our technique exploits variable-fidelity electromagnetic models of the structure under consideration. The low-fidelity model is optimised using its local response surface approximation surrogates. The high-fidelity model is refined by space mapping with polynomial interpolation of...
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Introduction to the special issue on machine learning in acoustics
PublicationWhen we started our Call for Papers for a Special Issue on “Machine Learning in Acoustics” in the Journal of the Acoustical Society of America, our ambition was to invite papers in which machine learning was applied to all acoustics areas. They were listed, but not limited to, as follows: • Music and synthesis analysis • Music sentiment analysis • Music perception • Intelligent music recognition • Musical source separation • Singing...
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ADAPTIVE PREDICTIONS OF THE EURO/ZŁOTY CURRENCY EXCHANGE RATE USING STATE SPACE WAVELET NETWORKS AND FORECAST COMBINATIONS
PublicationThe paper considers the forecasting of the euro/Polish złoty (EUR/PLN) spot exchange rate by applying state space wavelet network and econometric forecast combination models. Both prediction methods are applied to produce one-trading-day- ahead forecasts of the EUR/PLN exchange rate. The paper presents the general state space wavelet network and forecast combination models as well as their underlying principles. The state space...
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Algorithms for testing security in graphs
PublicationIn this paper we propose new algorithmic methods giving with the high probability the correct answer to the decision problem of security in graphs. For a given graph G and a subset S of a vertex set of G we have to decide whether S is secure, i.e. every subset X of S fulfils the condition: |N[X] \cap S| >= |N[X] \ S|, where N[X] is a closed neighbourhood of X in graph G. We constructed a polynomial time property pseudotester based...
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Magnetizability of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationThe Sturmian expansion of the generalized Dirac--Coulomb Green function [R.\/~Szmytkowski, J.\ Phys.\ B 30 (1997) 825; erratum 30 (1997) 2747] is exploited to derive a closed-form expression for the magnetizability of an arbitrary discrete state of the relativistic one-electron atom with a point-like, spinless and motionless nucleus of charge $Ze$. The result has the form of a double finite sum involving the generalized hypergeometric...
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Cross-sectional imaging of materials structure using PS-OCT
PublicationOptical low-coherence tomography is a measurement technique for non-contact and non-destructive investigation of materials inner structure. Nowadays, this method is highly applied in medical treatment especially in dermatology and ophthalmology. During our research we have developed an optical low-coherence tomography system with polarization state analysis for structure examination of a broad range of technical materials. In this...
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Assessment of evaporator tubes corrosion in low-emission steam boilers
PublicationW artykule przedstawiono wyniki badań rur ekranowych(16Mo3) kotła niskoemisyjnego po jednym roku i dwóch latach eksploatacji. Powierzchnie rur pokryte zostały warstwami natryskiwanymi cieplne - pojedynczą ze stopu 70%Ni 30%Cr i podwójną Ni-30Cr /Al2O3. Rury bez powłok natryskiwanych wykazywały pocienienie ze względu na działanie korozji siarkowej oraz korozyjnego oddziaływania warstwy stopionych soli. Pojedyncza warstwa 70%Ni 30%Cr...
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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Full scattering profile of circular optical phantoms mimicking biological tissue
PublicationHuman tissue is one of the most complex optical media since it is turbid and nonhomogeneous. In our poster, we suggest a new type of skin phantom and an optical method for sensing physiological tissue condition, basing on the collection of the ejected light at all exit angles, to receive the full scattering profile. Conducted experiments were carried out on an unique set-up for noninvasive encircled measurement. Set-up consisted...
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Binder-induced surface structure evolution effects on Li-ion battery performance
PublicationA comparative investigation on binder induced chemical and morphological evolution of Li4Ti5O12 electrodes was performed via X-ray photoemission spectroscopy, scanning electron microscopy, and electrochemical measurements. Composite electrodes were obtained using three different binders (PAA, PVdF, and CMC) with 80:10:10 ratio of active material:carbon:binder. The electrochemical performances of the electrodes, were found to be...
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Comparison of reproduction strategies in genetic algorithm approach to graph searching
Publicationgenetic algorithms (ga) are a well-known tool used to obtain approximate solutions to optimization problems. successful application of genetic algorithm in solving given problem is largely dependant on selecting appropriate genetic operators. selection, mutation and crossover techniques play a fundamental role in both time needed to obtain results and their accuracy. in this paper we focus on applying genetic algorithms in calculating...
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Application of vibrational spectroscopy, thermal analyses and X-Ray diffraction in the rapid evaluation of the stability in solid-state of ranitidine, famotidine and cimetidine
PublicationThis paper reports the study on applicability of Fourier transform infrared (FTIR), near-infrared (NIR) and Raman spectroscopy, differential scanning calorimetry (DSC) and X-ray diffraction (XRD) for the estimation of the chemical stability and photostability of histamine H2-receptor antagonist substances. Ranitidine hydrochloride (RAN), famotidine (FAM) and cimetidine (CIM) were tested and differences in sensitivity were measured...
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Determination of API content in a pilot-scale blending by near-infrared spectroscopy as a first step method to process line implementation
PublicationNear infrared (NIR) spectroscopy was used for estimation of powder blend homogeneity and manufacturing control of a medicinal product powder mixture containing active pharmaceutical ingredient (API). Aiming at initiating a Process Analytical Technology (PAT) activity, the first step was a stationary mode atline evaluation. In this, the content of pharmaceutical active compound in the powder mixtures intended to the direct tabletting...
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Dynamics of productivity in higher education: cross-european evidence based on bootstrapped Malmquist indices
PublicationAbstract This study examines patterns of productivitychange in a large set of 266 public higher educationinstitutions (HEIs) in 7 European countries across the timeperiod 2001-2005. We adopt consistent bootstrap estimationprocedures to obtain confidence intervals for Malmquistindices of HEI productivity and their components.Consequently, we are able to assess the statistical significanceof changes in HEI productivity, efficiency...
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Rapid Yield Estimation and Optimization of Microwave Structures Exploiting Feature-Based Statistical Analysis
PublicationIn this paper, we propose a simple, yet reliable methodology to expediteyield estimation and optimization of microwave structures. In our approach,the analysis of the entire response of the structure at hand (e.g., $S$-parameters asa function of frequency) is replaced by response surface modeling of suitablyselected feature points. On the one hand, this is sufficient to determinewhether a design satisfies given performance specifications....
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LSA Is not Dead: Improving Results of Domain-Specific Information Retrieval System Using Stack Overflow Questions Tags
PublicationThe paper presents the approach to using tags from Stack Overflow questions as a data source in the process of building domain-specific unsupervised term embeddings. Using a huge dataset of Stack Overflow posts, our solution employs the LSA algorithm to learn latent representations of information technology terms. The paper also presents the Teamy.ai system, currently developed by Scalac company, which serves as a platform that...
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Projecting procedure for meta-material fiber
PublicationWe would like to show new way of derivation evolution equation for short pulses in dielectric waveguide including one model of metamaterial waveguide. This derivation model rely on projecting to the orthogonal basis. In our case to orthogonal basis for cylindrical waveguide.
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The estimation of total volatile organic compounds emissions generated from peroxide cured natural rubber/polycaprolactone blends
PublicationNatural rubber (NR)/polycaprolactone (PCL) blends at the ratio of 90/10% wt. (NR/PCL90/10) and 70/30% wt. (NR/PCL70/30), with a constant amount of dicumyl peroxide, were prepared by compounding in an internal mixer. Obtained NR/PCL bio-based blends were cured at three different temperatures (150 °C, 160 °C and 170 °C). The total content of volatile organic compounds (TVOC) as a function of the NR/PCL blends ratio, and their curing...
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Landscape protection in environmental impact assessment in Poland. The exa- mple of a Gdańsk fortification system which is threatened by transport in- vestments. J. Transdiscipl. Environ. Stud. [online]**2002 vol. 1 nr 2 [dos- tęp: 2002.12.20] s. 1-18, 3 rys. bibliogr. 11 poz. Dostępny w Internecie: http://www.journal-tes.dk/. ISSN 1602-2297 Ochrona krajobrazu w Ocenach Oddziaływania na Środowisko w Polsce -na przy- kładzie fortyfikacji gdańskich zagrożonych inwestycjami komunikacyjnymi.
PublicationSpecyficzny przypadek potencjalnego zagrożenia dla fortyfikacji nowożytnych Gdańska, spowodowanego nowymi, planowanymi inwestycjami komunikacyjnymi jesttłem dla ukazania możliwości wykorzystania procedury Oceny Oddziaływania na Środowisko dla ochrony i kształtowania krajobrazu.
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Joining of tubular elements by internal rolling with use of burnishing tools.Łączenie elementów rurowych przez wewnętrzne rozpęczanie z użyciem nagniataków.
PublicationW referacie przedstawiono wyniki prac zmierzających do zastosowania nagniataków do łączenia rur aluminiowych przez ich rozgniatanie. Zaprezentowano analityczny szacunek wytrzymałości złącz i porównano z wynikami prób ich rozłączania na maszynie wytrzymałościowej.
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Greencoin as an AI-Based Solution Shaping Climate Awareness.
PublicationOur research aim was to define possible AI-based solutions to be embedded in the Green- coin project, designed as a supportive tool for smart cities to achieve climate neutrality. We used Kamrowska-Załuska’s approach for evaluating AI-based solutions’ potential in urban planning. We narrowed down the research to the educational and economic aspects of smart cities. Furthermore, we used a systematic literature review. We propose...
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Wisdom in the context of globalization and civilization
PublicationThe book seeks to answer the question - what is wisdom and how should it be used in everyday life? A model of wisdom is presented in which wisdom describes three attributes: knowledge, qualifications (skills) and inspirations leading to consciously controlled processes of correct assessment of the situation and the correct choice of solution options in the context of the art of living. For each attribute, we can specify a set of...
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Human Computer Interface for Tracking Eye Movements Improves Assessment and Diagnosis of Patients With Acquired Brain Injuries
PublicationOne of the first clinical signs differentiating the minimally conscious state from the vegetative state is the presence of smooth pursuit eye movements occurring in direct response to moving salient stimuli. Glasgow Coma Scale (GCS) is one of the most commonly used diagnostic tools for acute phase assessment of the level of consciousness, together with a neurological examination. These classic measures are limited to qualitative...
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Functionalized Peptide Fibrils as a Scaffold for Active Substances in Wound Healing
PublicationTechnological developments in the field of biologically active peptide applications in medicine have increased the need for new methods for peptide delivery. The disadvantage of peptides as drugs is their low biological stability. Recently, great attention has been paid to self-assembling peptides that can form fibrils. Such a formulation makes bioactive peptides more resistant to enzymatic degradation and druggable. Peptide fibrils...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Nieukierunkowana analiza fosfolipidów w próbkach biologicznych i żywności Część II. Zaawansowane techniki analityczne w analizie fosfolipidów
PublicationRozwój zaawansowanych technik analitycznych, który miał miejsce na przestrzeni ostatnich lat, w znaczący sposób przyczynił się do rozwoju lipidomiki – nauki mającej na celu określenie roli związków lipidowych w funkcjonowaniu systemów biologicznym, w tym ludzkiego organizmu. Nieukierunkowana analiza dostarczanych do organizmu i występujących w nim lipidów wymaga zastosowania wysokorozdzielczych technik analitycznych. Wprowadzenie...
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Modélisation d'ordre non entier des machines synchrones. Modèle fréquentiel non linéaire, identification des paramètres, calcul de la réponse temporelle.
PublicationDans les réseaux d'énergie électrique contemporains, on assiste à une diversification considérable des différentes sources d'énergie. L'énergie produite est transformée par une grande quantité de dispositifs électriques pour être finalement acheminée à diverses installations électriques. Il devient donc primordial d'améliorer les modèles des différents composants électriques afin de pouvoir prévoir les interactions entre eux et...
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Metaheuristic algorithms for optimization of resilient overlay computing systems
PublicationThe idea of distributed computing systems has been gaining much interest in recent years owing to the growing amount of data to be processed for both industrial and academic purposes. However, similar to other systems, also distributed computing systems are vulnerable to failures. Due to strict QoS requirements, survivability guarantees are necessary for provisioning of uninterrupted service. In this article, we focus on reliability...
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Comparative Analysis of Text Representation Methods Using Classification
PublicationIn our work, we review and empirically evaluate five different raw methods of text representation that allow automatic processing of Wikipedia articles. The main contribution of the article—evaluation of approaches to text representation for machine learning tasks—indicates that the text representation is fundamental for achieving good categorization results. The analysis of the representation methods creates a baseline that cannot...