Filtry
wszystkich: 728
Wyniki wyszukiwania dla: MOLECULAR MODELING,MOLECULES,NEURAL NETWORKS,SOLVENTS,VISCOSITY
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Abdominal Aortic Aneurysm segmentation from contrast-enhanced computed tomography angiography using deep convolutional networks
PublikacjaOne of the most common imaging methods for diagnosing an abdominal aortic aneurysm, and an endoleak detection is computed tomography angiography. In this paper, we address the problem of aorta and thrombus semantic segmentation, what is a mandatory step to estimate aortic aneurysm diameter. Three end-to-end convolutional neural networks were trained and evaluated. Finally, we proposed an ensemble of deep neural networks with underlying...
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Novel “acid tuned” deep eutectic solvents based on protonated L-proline
PublikacjaThe paper presents new types of deep eutectic solvents (DESs) based on L-proline protonated using three different acids (hydrochloric, sulfuric and phosphoric)and playing the role of a hydrogen bond acceptor(HBA). Glucose and xylitol were used as hydrogen bond donors (HBD). A series of deep eutectic solvents with various mole ratios were obtained for the systems L-proline: glucose and L-proline: xylitol. Density, melting point,...
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Magnetic deep eutectic solvents – Fundamentals and applications
PublikacjaMagnetic deep eutectic solvents (MDES), a relatively new subclass of conventional deep eutectic solvents (DES) containing additional paramagnetic components in their structure. MDES exhibit a strong response toward external magnetic fields, thus they can improve many industrial and analytical applications. In addition, this new group of solvents present unique physicochemical properties that can be easily tuned by selecting the...
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Poly-L-Lysine-modified boron-doped diamond electrodes for the amperometric detection of nucleic acid bases
PublikacjaBoron-doped diamond (BDD) is a very promising supporting material used in the construction of biosensors for molecular recognition. The direct immobilization of structurally-organized huge molecules, such as poly-L-Lysine (PLL) provides the possibility of determining organic molecules, e.g. nucleic acid bases (e.g. adenine, guanine) or peptides and proteins. This paper describes the direct method for chemical and electrochemical...
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OBTAINING FLUID FLOW PATTERN FOR TURBINE STAGE WITH NEURAL MODEL.
PublikacjaIn the paper possibility of applying neural model to obtaining patterns of proper operation for fluid flow in turbine stage for fluid-flow diagnostics is discussed. Main differences between Computational Fluid Dynamics (CFD) solvers and neural model is given, also limitations and advantages of both are considered. Time of calculations of both methods was given, also possibilities of shortening that time with preserving the accuracy...
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Towards neural knowledge DNA
PublikacjaIn this paper, we propose the Neural Knowledge DNA, a framework that tailors the ideas underlying the success of neural networks to the scope of knowledge representation. Knowledge representation is a fundamental field that dedicates to representing information about the world in a form that computer systems can utilize to solve complex tasks. The proposed Neural Knowledge DNA is designed to support discovering, storing, reusing,...
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Analyzing the Effectiveness of the Brain–Computer Interface for Task Discerning Based on Machine Learning
PublikacjaThe aim of the study is to compare electroencephalographic (EEG) signal feature extraction methods in the context of the effectiveness of the classification of brain activities. For classification, electroencephalographic signals were obtained using an EEG device from 17 subjects in three mental states (relaxation, excitation, and solving logical task). Blind source separation employing independent component analysis (ICA) was...
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Adsorption-assisted transport of water vapour in super-hydrophobic membranes filled with multilayer graphene platelets
PublikacjaThe effects of confinement of multilayer graphene platelets in hydrophobic microporous polymeric membranes are here examined. Intermolecular interactions between water vapour molecules and nanocomposite membranes are envisaged to originate assisted transport of water vapour in membrane distillation processes when a suitable filler-polymer ratio is reached. Mass transport coefficients are estimated under different working conditions,...
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Data augmentation for improving deep learning in image classification problem
PublikacjaThese days deep learning is the fastest-growing field in the field of Machine Learning (ML) and Deep Neural Networks (DNN). Among many of DNN structures, the Convolutional Neural Networks (CNN) are currently the main tool used for the image analysis and classification purposes. Although great achievements and perspectives, deep neural networks and accompanying learning algorithms have some relevant challenges to tackle. In this...
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ABSORPCJA, METABOLIZM I ROLA BIOLOGICZNA KWASÓW NUKLEINOWYCH OBECNYCH W ŻYWNOŚCI
PublikacjaKwasy nukleinowe należą do niedocenianych składników żywności, szczególnie surowej lub nisko przetworzonej. W niniejszej publikacji skupiono się na omówieniu przemian, jakim podlegają kwasy nukleinowe w przewodzie pokarmowym człowieka, procesie absorpcji nukleotydów oraz nukleozydów z przewodu pokarmowego, a także przedstawiono podstawowe etapy ich metabolizmu w komórkach organizmu. Produkty trawienia kwasów nukleinowych stanowią...
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Prognostic and diagnostic capabilities of OOBN in assessing investment risk of complex construction projects
PublikacjaModelling decision problems using Bayesian networks is extremely valuable especially in case of issues related to uncertainty; it is also very helpful in constructing and understanding visual representation of the elements and their relations. This approach facilitates subsequent application of Bayesian networks, however there can be situations where using simple Bayesian networks is impractical or even ineffective. The aim of...
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Rheology of potato starch chemically modified with microwave-assisted reactions
PublikacjaNative potato starch was sulfated, selenated, borated, silicated and zincatated by means of microwave-assisted reactions with varying doses of relevant reagents. Resulting products were characterized involving rheological behavior of pastes, their weight-average molecular weight (Mw), and radius of gyration (Rg). Most of the pastes showed shear-thinning behavior, with the flow behavior index (n) below unity. The pastes of starch...
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TOXIC GASES IDENTIFICATION USING SINGLE ELECTROCATALYTIC SENSOR RESPONSES AND ARTIFICIAL NEURAL NETWORK
PublikacjaThe need for precise detection of toxic gases drives development of new gas sensors structures and methods of processing the output signals from the sensors. In literature, artificial neural networks are considered as one of the most effective tool for the analysis of gas sensors or sensors arrays responses. In this paper a method of toxic gas components identification using a electrocatalytic gas sensor as a detector and an artificial...
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Machine Learning Applied to Aspirated and Non-Aspirated Allophone Classification—An Approach Based on Audio "Fingerprinting"
PublikacjaThe purpose of this study is to involve both Convolutional Neural Networks and a typical learning algorithm in the allophone classification process. A list of words including aspirated and non-aspirated allophones pronounced by native and non-native English speakers is recorded and then edited and analyzed. Allophones extracted from English speakers’ recordings are presented in the form of two-dimensional spectrogram images and...
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Perspectives on the replacement of harmful organic solvents in analytical methodologies: a framework toward the implementation of a generation of eco-friendly alternatives
PublikacjaVolatile organic solvents derived from non-renewable fossil feedstocks are commonplace in analytical laboratories. In spite of their convenient performance in countless unit operations, their environmental, health and safety issues represent a major area of concern. The progressive replacement of organic solvents obtained from fossil resources by eco-friendly alternatives would involve remarkable advances within the framework of...
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Neural network training with limited precision and asymmetric exponent
PublikacjaAlong with an extremely increasing number of mobile devices, sensors and other smart utilities, an unprecedented growth of data can be observed in today’s world. In order to address multiple challenges facing the big data domain, machine learning techniques are often leveraged for data analysis, filtering and classification. Wide usage of artificial intelligence with large amounts of data creates growing demand not only for storage...
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Magnetic deep eutectic solvents as efficient media for extraction of furfural and 5-hydroxymethylfurfural from aqueous samples
PublikacjaThe extraction of furfural (FF) and 5-hydroxymethylfurfural (HMF) from hydrolysates is currently one of the main challenges in bio-refinery. In this work, the separation of FF and HMF from the aqueous phase was carried out using a new type of green solvents – Magnetic Deep Eutectic Solvents (MDES). A conductor-like screening model for realistic solvents (COSMO-RS) was used for the preselection of 400 MDES. MDES which exhibit the...
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Removal of Siloxanes from Model Biogas by Means of Deep Eutectic Solvents in Absorption Process
PublikacjaThe paper presents the screening of 20 deep eutectic solvents (DESs) composed of tetrapropylammonium bromide (TPABr) and glycols in various molar ratios, and 6 conventional solvents as absorbents for removal of siloxanes from model biogas stream. The screening was achieved using the conductor-like screening model for real solvents (COSMO-RS) based on the comparison of siloxane solubility in DESs. For the DES which was characterized...
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Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme
PublikacjaLow solubility of reactants or products in aqueous solutions can result in the enzymatic catalytic reactions that can occur in non-aqueous solutions. In current study we investigated aqueous solutions containing different organic solvents / deep eutectic solvents (DESs) that can influence the protease enzyme's activity, structural, and thermal stabilities. Retroviral aspartic protease enzyme is responsible for the cleavage of the...
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Interactions of positrons with atoms and molecules
PublikacjaThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
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Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: A computational comparison
PublikacjaWe present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions that are expected to play some role in the evolutionary analysis of chemical networks in the interstellar environments, C2H− (X1Σ+) and C2N− (X3Σ−), but for which inelastic rates are only known for C2H−. The same systems are also of direct interest in modeling selective photo-detachment experiments...
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Neural network simulator's application to reference performance determination of turbine blading in the heat-flow diagnostics.
PublikacjaIn the paper, the possibility of application of artificial neural networks to perform the fluid flow calculations through both damaged and undamaged turbine blading was investigated. Preliminary results are presented and show the potentiality of further development of the method for the purpose of heat-flow diagnostics.
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Breast MRI segmentation by deep learning: key gaps and challenges
PublikacjaBreast MRI segmentation plays a vital role in early diagnosis and treatment planning of breast anomalies. Convolutional neural networks with deep learning have indicated promise in automating this process, but significant gaps and challenges remain to address. This PubMed-based review provides a comprehensive literature overview of the latest deep learning models used for breast segmentation. The article categorizes the literature...
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Deep Learning: A Case Study for Image Recognition Using Transfer Learning
PublikacjaDeep learning (DL) is a rising star of machine learning (ML) and artificial intelligence (AI) domains. Until 2006, many researchers had attempted to build deep neural networks (DNN), but most of them failed. In 2006, it was proven that deep neural networks are one of the most crucial inventions for the 21st century. Nowadays, DNN are being used as a key technology for many different domains: self-driven vehicles, smart cities,...
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Deep Learning
PublikacjaDeep learning (DL) is a rising star of machine learning (ML) and artificial intelligence (AI) domains. Until 2006, many researchers had attempted to build deep neural networks (DNN), but most of them failed. In 2006, it was proven that deep neural networks are one of the most crucial inventions for the 21st century. Nowadays, DNN are being used as a key technology for many different domains: self-driven vehicles, smart cities,...
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Deep neural network architecture search using network morphism
PublikacjaThe paper presents the results of the research on neural architecture search (NAS) algorithm. We utilized the hill climbing algorithm to search for well-performing structures of deep convolutional neural network. Moreover, we used the function preserving transformations which enabled the effective operation of the algorithm in a short period of time. The network obtained with the advantage of NAS was validated on skin lesion classification...
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Dynamic mechanical properties and flexing fatigue resistance of tire sidewall rubber as function of waste tire rubber reclaiming degree
PublikacjaA stepwise downsizing method of gel particles in reclaimed rubber to a micro-nano scale and its excellent dynamic performance in tire sidewall were introduced by this work. The results showed that the size of gel particles decreased from several micrometers to micro-nanometers with the increase of reclaiming degree, accompanied by reduced molecular weight and widened molecular weight distribution of sol fraction. The addition of...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublikacjaOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Modelowanie przepływu pary przez okołodźwiękowe wieńce turbinowe z użyciem sztucznych sieci neuronoych
PublikacjaNiniejszy artykuł stanowi opis modelu przepływu pary przez okołodźwiękowe stopnie turbinowe, stworzonego w oparciu o sztuczne sieci neuronowe (SSN). Przedstawiony model neuronowy pozwala na wyznaczenie rozkładu wybranych parametrów w analizowanym przekroju kanału przepływowego turbiny dla rozpatrywanego zakresu wartości ciśnienia wlotowego.
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublikacjaGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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Water Behavior Near the Lipid Bilayer
PublikacjaIn this chapter, we focus on the dynamics of water molecules situated in the vicinity of a phospholipid bilayer. Using a molecular dynamics simulation method, we studied interactions between water and the bilayer and tracked trajectories of the water molecules. Based on the hypothesis that molecules trapped inside the bilayer make different motions than the ones which are either attached to the surface or move freely in the water...
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublikacjaThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
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Why is the cubic structure preferred in newly formed ice?
PublikacjaMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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An Improved Convolutional Neural Network for Steganalysis in the Scenario of Reuse of the Stego-Key
PublikacjaThe topic of this paper is the use of deep learning techniques, more specifically convolutional neural networks, for steganalysis of digital images. The steganalysis scenario of the repeated use of the stego-key is considered. Firstly, a study of the influence of the depth and width of the convolution layers on the effectiveness of classification was conducted. Next, a study on the influence of depth and width of fully connected...
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Optymalizacja treningu i wnioskowania sieci neuronowych
PublikacjaSieci neuronowe są jedną z najpopularniejszych i najszybciej rozwijających się dziedzin sztucznej inteligencji. Ich praktyczne wykorzystanie umożliwiło szersze użycie komputerów w wielu obszarach komunikacji, przemysłu i transportu. Dowody tego są widoczne w elektronice użytkowej, medycynie, a nawet w zastosowaniach militarnych. Wykorzystanie sztucznej inteligencji w wielu przypadkach wymaga jednak znacznej mocy obliczeniowej,...
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Computational intelligence methods in production management
PublikacjaThis chapter presents a survey of selected computational intelligence methods used in production management. This group of methods includes, among others, approaches based on the artificial neural networks, the evolutionary algorithms, the fuzzy logic systems and the particle swarm optimization mechanisms. From the abovementioned methods particularly noteworthy are the evolutionary and the particle swarm algorithms, which are successfully...
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Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
PublikacjaDeep eutectic solvents (DES) are often considered as green solvents because of their properties, such as negligible vapor pressure, biodegradability, low toxicity or natural origin of their components. Due to the fact that DES are cheaper than ionic liquids, they have gained many applications in a short period of time. However, claims about their greenness sometimes seem to be exaggerated. Especially, bearing in mind lots of data...
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Deep eutectic solvents with solid supports used in microextraction processes applied for endocrine-disrupting chemicals
PublikacjaThe determination of endocrine-disrupting chemicals (EDCs) has become one of the biggest challenges in Analytical Chemistry. Due to the low concentration of these compounds in different kinds of samples, it becomes necessary to employ efficient sample preparation methods and sensitive measurement techniques to achieve low limits of detection. This issue becomes even more struggling when the principles of the Green Analytical Chemistry...
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublikacjaThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Chitin and derivative chitosan-based structures — Preparation strategies aided by deep eutectic solvents: A review
PublikacjaThe high molecular weight of chitin, as a biopolymer, challenges its extraction due to its insolubility in the solvents. Also, chitosan, as the N-deacetylated form of chitin, can be employed as a primary material for different industries. The low mechanical stability and poor plasticity of chitosan films, as a result of incompatible interaction between chitosan and the used solvent, have limited its industrialization. Deep eutectic...
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Precipitation and Transformation of Vaterite Calcium Carbonate in the Presence of Some Organic Solvents
PublikacjaIn this paper, the production of CaCO3 particles via the carbonation route in the reaction of CaCl2 and CO2, using NH3 as a promoter of CO2 absorption, was studied. The solvents used as the reaction media for CaCO3 precipitation were aqueous solutions of methanol, isopropanol and dimethyl sulfoxide (DMSO), in a concentration range of 0–20% (v/v). It was found that the presence of an organic additive influenced the precipitation...
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Training of Deep Learning Models Using Synthetic Datasets
PublikacjaIn order to solve increasingly complex problems, the complexity of Deep Neural Networks also needs to be constantly increased, and therefore training such networks requires more and more data. Unfortunately, obtaining such massive real world training data to optimize neural networks parameters is a challenging and time-consuming task. To solve this problem, we propose an easy-touse and general approach to training deep learning...
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Optical photoluminescent, and electroluminescent properties of organic solids
PublikacjaThis chapter discusses optical, photoluminescence and electroluminescence properties of organic materials. First, the spectral features of individual molecules and molecular solid states are analysed. Next, the excitonic processes in organic materials are discussed. The chapter reviews experimental methods leading to the determination of basic excitonic parameters. Finally, the electroluminescence phenomena in organic materials...
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Low-energy positron scattering from DNA nucleobases: the effects from permanent dipoles
PublikacjaAb initio quantum calculations for low-energy positron scattering from gas-phase isolated molecular nucleobases which are part of the DNA structure are presented and discussed over the range of 1 eV to 25 eV. The calculations report the integral cross sections (ICSs) and the momentum-transfer cross sections (MTCSs) for Adenine, Guanine, Thymine and Cytosine. The calculations show very clearly the important role of the dominant...
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Methods of Artificial Intelligence for Prediction and Prevention Crisis Situations in Banking Systems
PublikacjaIn this paper, a support vector machine has been studied due to prediction of bank crisis. To prevent outcomes of crisis situations, artificial neural networks have been characterized as applied to stock market investments, as well as to test the credibility of the bank's customers. Finally, some numerical experiments have been presented.
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Accurate Modeling of Frequency Selective Surfaces Using Fully-Connected Regression Model with Automated Architecture Determination and Parameter Selection Based on Bayesian Optimization
PublikacjaSurrogate modeling has become an important tool in the design of high-frequency structures. Although full-wave electromagnetic (EM) simulation tools provide an accurate account for the circuit characteristics and performance, they entail considerable computational expenditures. Replacing EM analysis by fast surrogates provides a way to accelerate the design procedures. Unfortunately, modeling of microwave passives is a challenging...
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User Orientation Detection in Relation to Antenna Geometry in Ultra-Wideband Wireless Body Area Networks Using Deep Learning
PublikacjaIn this paper, the issue of detecting a user’s position in relation to the antenna geometry in ultra-wideband (UWB) off-body wireless body area network (WBAN) communication using deep learning methods is presented. To measure the impulse response of the channel, a measurement stand consisting of EVB1000 devices and DW1000 radio modules was developed and indoor static measurement scenarios were performed. It was proven that for...
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Deep eutectic solvents – Ideal solution for clean air or hidden danger?
PublikacjaThe industrial sector is one of the fastest-growing sources of greenhouse gases, due to its excessive energy consumption to meet the rapidly growing demand for energy-intensive products. The use of deep eutectic solvents (DESs) has been studied extensively in order to cope with these harmful gases, but their usage can be an issue in respect to ecological reasons. Do deep eutectic solvents harm the atmosphere? Yes, these solvents...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Path Loss Modelling for Location Service Applications
PublikacjaThe aim of this paper is the path loss modeling for the radiolocation services in radiocommunication networks, particularly in cellular networks. The main results of the measurements obtained in the physical layer of the UMTS are introduced. A new method for the utilization of the multipath propagation phenomenon to improve the estimation of the distance between the mobile station (MS) and the base station (BS) is outlined. This...