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Search results for: experimental validation
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Analytical procedures for short chain chlorinated paraffins determination - How to make them greener?
PublicationThe aim of the following paper was to gather current scientific information about the analytical protocols dedicated to measuring the content level of short-chain chlorinated paraffins (SCCPs) in various types of environmental samples. Moreover, the data about the basic validation parameters of applied procedures for SCCPs determination are listed. The main issue which is highlighted in the paper is the possibility of the application...
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Cognitive motivations and foundations for building intelligent decision-making systems
PublicationConcepts based on psychology fit well with current research trends related to robotics and artificial intelligence. Biology-inspired cognitive architectures are extremely useful in building agents and robots, and this is one of the most important challenges of modern science. Therefore, the widely viewed and far-reaching goal of systems research and engineering is virtual agents and autonomous robots that mimic human behavior in...
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Using Rule-Based System for Monitoring Marine Navigation Data Processing
PublicationProcessing marine navigational data requires sophisticated software solutions. Typically, specialized tools called processors are analyzing raw data from different sensors. It becomes important to create the monitoring software that is able to validate and verify processing components integrated into the final system. Drools®business rule management platform provides a core business rules engine, web authoring and rules management...
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Double-diffusive natural convection energy transfer in magnetically influenced Casson fluid flow in trapezoidal enclosure with fillets
PublicationThe prime motive of this disquisition is to deal with mathematical analysis of natural convection energy transport driven by combined buoyancy effects of thermal and solutal diffusion in a trapezoidal enclosure. Casson fluid rheological constitutive model depicting attributes of viscoelastic liquids is envisioned. The influence of the inclined magnetic field governed by Lorentz field law is also considered. To raise the essence...
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Emotion Recognition from Physiological Channels Using Graph Neural Network
PublicationIn recent years, a number of new research papers have emerged on the application of neural networks in affective computing. One of the newest trends observed is the utilization of graph neural networks (GNNs) to recognize emotions. The study presented in the paper follows this trend. Within the work, GraphSleepNet (a GNN for classifying the stages of sleep) was adjusted for emotion recognition and validated for this purpose. The...
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Expedited optimization of antenna input characteristics with adaptive Broyden updates
PublicationSimulation-driven adjustment of geometry and/or material parameters is a necessary step in the design of contemporary antenna structures. Due to their topological complexity, other means, such as supervised parameter sweeping, does not usually lead to satisfactory results. On the other hand, rigorous numerical optimization is computationally expensive due to a high cost of underlying full-wave electromagnetic (EM) analyses, otherwise...
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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Mechanical analysis of eccentric defected bilayer graphene sheets considering the van der Waals force
PublicationIn this article, we have tried to simulate nonlinear bending analysis of a double-layered graphene sheet which contains a geometrical imperfection based on an eccentric hole. The first-order shear deformation theory is considered to obtain the governing equations. Also, the nonlinear von Kármán strain field has been assumed in order to obtain large deformations. Whereas the double-layered graphene sheet has been considered, the...
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Using Statistical Methods to Estimate The Worst Case Response Time of Network Software Running on Indeterministic Hardware Platforms
PublicationIn this paper we investigate whether the statistical Worst Case Execution Time (WCET) estimation methods devised for embedded platforms can be successfully applied to find the Worst Case Response Time (WCRT) of a network application running on a complex hardware platform such as a contemporary commercial off-the-shelf (COTS) system. Establishing easy-to-use timing validation techniques is crucial for real-time applications and...
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Numerical modeling of quantum dynamical processes
PublicationIn this dissertation I present a high-precision (15, 18 or 33 decimal places) C++ implementation of quantum dynamics time propagation algorithms for both time-independent and time-dependent Hamiltonian with an inhomogeneous source term. Moreover I present an extension of both algorithms for time propagation to handle arbitrary number of coupled electronic levels. I have performed a careful validation of these implementations comparing...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublicationThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Ontology-Aided Software Engineering
PublicationThis thesis is located between the fields of research on Artificial Intelligence (AI), Knowledge Representation and Reasoning (KRR), Computer-Aided Software Engineering (CASE) and Model Driven Engineering (MDE). The modern offspring of KRR - Description Logic (DL) [Baad03] is considered here as a formalization of the software engineering Methods & Tools. The bridge between the world of formal specification (governed by the mathematics)...
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Rapid Simulation-Driven Multiobjective Design Optimization of Decomposable Compact Microwave Passives
PublicationIn this paper, a methodology for fast multiobjective optimization of the miniaturized microwave passives has been presented. Our approach is applicable to circuits that can be decomposed into individual cells [e.g., compact microstrip resonant cells (CMRCs)]. The structures are individually modeled using their corresponding equivalent circuits and aligned with their accurate, EM simulated...
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Novel liquid chromatography method based on linear weighted regression for the fast determination of isoprostane isomers in plasma samples using sensitive tandem mass spectrometry detection
PublicationA simple, fast, sensitive and accurate methodology based on a LLE followed by liquid chromatography–tandem mass spectrometry for simultaneous determination of four regioisomers (8-iso prostaglandin F2α, 8-iso-15(R)-prostaglandin F2α, 11β-prostaglandin F2α, 15(R)-prostaglandin F2α) in routine analysis of human plasma samples was developed. Isoprostanes are stable products of arachidonic acid peroxidation and are regarded as the...
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Evaluation of Asphalt Mixture Low-Temperature Performance in Bending Beam Creep Test
PublicationLow-temperature cracking is one of the most common road pavement distress types in Poland. While bitumen performance can be evaluated in detail using bending beam rheometer (BBR) or dynamic shear rheometer (DSR) tests, none of the normalized test methods gives a comprehensive representation of low-temperature performance of the asphalt mixtures. This article presents the Bending Beam Creep test performed at temperatures from −20...
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Investigation of Air Quality beside a Municipal Landfill: The Fate of Malodour Compounds as a Model VOC
PublicationThis paper presents the results of an investigation on ambient air odour quality in the vicinity of a municipal landfill. The investigations were carried out during the spring–winter and the spring seasons using two types of the electronic nose instrument. The field olfactometers were employed to determine the mean odour concentration, which was from 2.1 to 32.2 ou/m3 depending on the measurement site and season of the year. In...
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Magnetic hydrophobic deep eutectic solvents for orbital shaker-assisted dispersive liquid-liquid microextraction (MAGDES-OS-DLLME) - determination of nickel and copper in food and water samples by FAAS
PublicationIn this work, a cheap and widely applicable dispersive liquid-liquid microextraction (DLLME) method was developed for the extraction of Ni(II) and Cu(II) from water and food samples and analysis using flame atomic absorption spectrometry. DLLME was assisted by orbital shaker, while ferrofluid as an extractant was based on deep eutectic solvent (DES). This ferrofluid was made of hydrophobic DES (hDES), composed of lauric acid and...
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Optimization of vortex-assisted hydrophobic magnetic deep eutectic solvent-based dispersive liquid phase microextraction for quantification of niclosamide in real samples
PublicationIn this manuscript, a green and fast vortex-assisted hydrophobic magnetic deep eutectic solvent-based dispersive liquid phase microextraction (VA-HMDES-DLPME) method was developed for the selective extraction and determination of niclosamide in read samples, including rice, medicine tablets, and water samples. Here, hydrophobic magnetic deep eutectic solvents were used as the extracting solvent without requiring any centrifugation...
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Machine-aided detection of SARS-CoV-2 from complete blood count
PublicationThe current gold standard for SARS-CoV-2 detection methods lacks the functionality to perform population screening. Complete blood count (CBC) tests are a cost-effective way to reach a wide range of people – e.g. according to the data of the Central Statistical Office of Poland from 2016, there are 3,000 blood diagnostic laboratories in Poland, and 46% of Polish people have at least one CBC test per year. In our work, we show...
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Prototype of electrochemical sensor for measurements of volatile organic compounds in gases
PublicationThe paper presents a laboratory prototype of an electrochemical sensor for measurements of volatile organic compounds (VOCs) in gases, utilizing ionic liquids and commercial screen printed electrodes by DropSens. The following ionic liquids have been tested as the electrolyte and redox reaction environment: 1-butyl, 3-methylimidazolium dicyanoamide ([BMIM][N(CN)2]), 1-octyl, 3-methylimidazolium tetrafluoroborate ([OMIM][BF4]),...
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Detection of propofol concentrations in blood by Raman spectroscopy
PublicationIn this paper we present a proof-of-concept of a Raman spectroscopy-based approach for measuring the content of propofol, a common anesthesia drug, in whole human blood, and plasma, which is intended for use during clinical procedures. This method utilizes the Raman spectroscopy as a chemically–sensitive method for qualitative detection of the presence of a drug and a quantitative determination of its concentration. A number of...
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Minimizing Distribution and Data Loading Overheads in Parallel Training of DNN Acoustic Models with Frequent Parameter Averaging
PublicationIn the paper we investigate the performance of parallel deep neural network training with parameter averaging for acoustic modeling in Kaldi, a popular automatic speech recognition toolkit. We describe experiments based on training a recurrent neural network with 4 layers of 800 LSTM hidden states on a 100-hour corpora of annotated Polish speech data. We propose a MPI-based modification of the training program which minimizes the...
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Expedited Design Closure of Antenna Input Characteristics by Trust Region Gradient Search and Principal Component Analysis
PublicationOptimization-based parameter tuning has become an inherent part of contemporary antenna design process. For the sake of reliability, it is typically conducted at the level of full-wave electromagnetic (EM) simulation models. This may incur considerable computational expenses depending on the cost of an individual EM analysis, the number of adjustable variables, the type of task (local, global, single-/multi-objective optimization),...
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Application of Open-Hardware-Based Solutions for Rapid Transition From Stationary to the Remote Teaching Model During Pandemic
PublicationWhile research indicates usefulness of remote laboratories in teaching of digital hardware systems, their main application is to complement stationary classes. This work presents a low-cost, scalable architecture that supports rapid transformation of teaching to a model based solely on remote access mechanisms. Background: Adaptation of online laboratory solutions from the literature to en-masse teaching of digital circuits is...
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Iterative learning approach to active noise control of highly autocorrelated signals with applications to machinery noise
PublicationThis paper discusses the design and application of iterative learning control (ILC) and repetitive control (RC) for high modal density systems. Typical examples of these systems are structural and acoustical systems considered in active structural acoustic control (ASAC) and active noise control (ANC) applications. The application of traditional ILC and RC design techniques, which are based on a parametric system model, on systems...
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Smartphones as tools for equitable food quality assessment
PublicationBackground: The ubiquity of smartphones equipped with an array of sophisticated sensors, ample processing power, network connectivity and a convenient interface makes them a promising tool for non-invasive, portable food quality assessment. Combined with the recent developments in the areas of IoT, deep learning algorithms and cloud computing, they present an opportunity for advancing wide-spread, equitable and sustainable food...
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Diagonalized Macromodels in Finite Element Method for Fast Electromagnetic Analysis of Waveguide Components
PublicationA new technique of local model-order reduction (MOR) in 3-D finite element method (FEM) for frequency-domain electromagnetic analysis of waveguide components is proposed in this paper. It resolves the problem of increasing solution time of the reduced-order system assembled from macromodels created in the subdomains, into which an analyzed structure is partitioned. This problem becomes particularly relevant for growing size and...
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Application of GC-MS/MS technique for the determination of benzodiazepines in blood samples
PublicationAbstract Benzodiazepines (BZD) are widely used as pharmaceuticals in medicine. However, due to psychostimulatory effect of BZD, in the last decade, they are more and more often used as drugs of abuse. These compounds produce similar effects to classical illicit drugs and are sold as “legal” alternatives to them as new psychoactive substances (NPS). Currently new BZD, named designer benzodiazepines (DBZD), are synthesized each year...
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Xanthone synthetic derivatives with high anticandidal activity and positive mycostatic selectivity index values
PublicationWith the current massive increases in drug-resistant microbial infection as well as the significant role of fungal infections in the death toll of COVID-19, discovering new antifungals is extremely important. Natural and synthetic xanthones are promising derivatives, although only few reports have demonstrated their antifungal mechanism of action in detail. Newly synthetized by us xanthone derivative 44 exhibited strong antifungal...
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Searching for the primary metabolic alterations of polycystic ovary syndrome by application of the untargeted metabolomics approach
PublicationDespite a large number of studies, the pathogenesis of polycystic ovary syndrome (PCOS) still remains unexplained. In light of ambiguous observations reported in metabolomics, there is a need to carry out studies focusing on confirming the discriminating power of the proposed metabolomics biomarkers. Our research aimed to perform a validation study of metabolites detected in our previous study from serum samples, on the new set...
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Direct solid phase microextraction combined with gas chromatography – Mass spectrometry for the determination of biogenic amines in wine
PublicationA direct method based on immersion solid phase microextraction (DI-SPME) gas chromatography mass-spectrometry (GC-MS) was optimized and validated for the determination of 16 biogenic amines in Polish wines. In the analysis two internal standards were used: 1,7-diaminoheptane and bis-3-aminopropylamine. The method allows for simultaneous extraction and derivatization, providing a simple and fast mode of extraction and enrichment....
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Computer Simulation in Predicting Biochemical Processes and Energy Balance at WWTPs
PublicationNowadays, the use of mathematical models and computer simulation allow analysis of many different technological solutions as well as testing various scenarios in a short time and at low financial budget in order to simulate the scenario under typical conditions for the real system and help to find the best solution in design or operation process. The aim of the study was to evaluate different concepts of biochemical processes and...
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A comparative analysis of methods and tools for low impact development (LID) site selection
PublicationThe site selection for Low Impact Development (LID) practices is a significant process. It affects the effectiveness of LID in controlling stormwater surface runoff, volume, flow rate, and infiltration. This research paper presents a comprehensive review of various methods used for LID site selection. It starts by introducing different methods and tools. Three main methods: index-based methods, GIS-based multi-criteria decision...
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublicationTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Towards evaluation of the Second Generation Intact Stability Criteria - examination of a fishing vessel vulnerability to surf-riding, based on historical capsizing
PublicationThe Second Generation Intact Stability Criteria (SGISC) are the latest achievements in the field of intact ship stability assessment. The criteria are the result of massive international cooperative efforts and extensive research that lasted more than 15 years. Even though they are based on a solid scientific foundation, the trial period has commenced to collect user experience and further validation. One of possible approaches...
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Speed estimation of a car at impact with a W-beam guardrail using numerical simulations and machine learning
PublicationThis paper aimed at developing a new method of estimating the impact speed of a passenger car at the moment of a crash into a W-beam road safety barrier. The determination of such a speed based on the accident outcomes is demanding, because often there is no access to full accident data. However, accurate determination of the impact speed is one of the key elements in the reconstruction of road accidents. A machine learning algorithm...
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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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A Compact Self-Hexaplexing Antenna Implemented on Substrate-Integrated Rectangular Cavity for Hexa-Band Applications
PublicationThis brief introduces a novel architecture of a compact self-hexaplexing antenna (SHA) implemented on a substrate-integrated rectangular cavity (SIRC) for hexa-band applications. The proposed SHA is configured by using an SIRC resonator, two Pi-shaped slots (PSSs), and six 50Ω microstrip feedlines. The PSSs are connected back-to-back and loaded on top of the SIRC resonator to produce six patch radiators (PRs). The PRs are excited...
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Data-driven, probabilistic model for attainable speed for ships approaching Gdańsk harbour
PublicationThe growing demand for maritime transportation leads to increased traffic in ports. From this arises the need to observe the consequences of the specific speed ships reach when approaching seaports. However, usually the analyzed cases refer only to the statistical evaluation of the studied phenomenon or to the empirical modelling, ignoring the mutual influence of variables such as ship type, length or weather conditions. In this...
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Remote Stateful Autoconfiguration for Mobile IPv6 Nodes with Server Side Duplicate Address Detection
PublicationDuring interdomain handover, IPv6 node requires new address at its new location. Once the L2 handover procedure is completed, mobile node (MN) starts its IPv6 configuration, using stateless (router advertisements) or stateful (DHCPv6 communication) mode. Once the address is obtained, its uniqueness has to be verified, using Duplicate Address Detection (DAD) procedure. Depending on the interface type, this procedure may easily take...
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A quasi-2D small-signal MOSFET model - main results
PublicationDynamic properties of the MOS transistor under small-signal excitation are determined by kinetic parameters of the carriers injected into the channel, i.e., the low-field mobility, velocity saturation, mobility at the quiescent-point (Q-point), longitudinal electric field in the channel, by dynamic properties of the channel, as well as by an electrical coupling between the perturbed carrier concentration in the channel and the...
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Modélisation des machines synchrones par des systèmes d’ordre un demi. Procédure d’identification des paramètres du schéma équivalent, analyse de sensibilité des paramètres.
PublicationCe livre présente de nouveaux modèles de machines synchrones (alternateurs à pôles saillants et alternateur à aimants permanents). Les schémas équivalents de ces modèles sont établis en utilisant la modélisation fractionnaire. Ceci permet de construire des modèles les plus compacts possibles, c’est-à-dire d’ordre réduit. Les branches (R-L) dans le schéma équivalent classique, décrivant les différentes parties de la machine où les...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublicationDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Information retrieval with semantic memory model
PublicationPsycholinguistic theories of semantic memory form the basis of understanding of natural language concepts. These theories are used here as an inspiration for implementing a computational model of semantic memory in the form of semantic network. Combining this network with a vector-based object-relation-feature value representation of concepts that includes also weights for confidence and support, allows for recognition of concepts...
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Gesture Recognition With the Linear Optical Sensor and Recurrent Neural Networks
PublicationIn this paper, the optical linear sensor, a representative of low-resolution sensors, was investigated in the multiclass recognition of near-field hand gestures. The recurrent neural network (RNN) with a gated recurrent unit (GRU) memory cell was utilized as a gestures classifier. A set of 27 gestures was collected from a group of volunteers. The 27 000 sequences obtained were divided into training, validation, and test subsets....
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A rapid and sensitive method for the quantitative analysis of ibuprofen and its metabolites in equine urine samples by gas chromatography-tandem mass spectrometry
PublicationIbuprofen is widely used in human and veterinary medicine for the treatment of chronic pain as well as rheumatic and musculoskeletal disorders. However, t he anal- gesic and anti-inflammatory properties of Ibuprofen have contributed to frequent drug abuse in equestr ian s ports. A sensitive and rapid gas chromatography with tandem mass spectrometry based method with a simple liquid-liquid extraction and deriva- tization requiring...
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Analysis of friction ridge evidence for trace amounts of paracetamol in various pharmaceutical industries by Raman spectroscopy
PublicationThe detection of potentially harmful substances presents a multifaceted challenge. On one hand, it can directly save lives, on the other, it can significantly aid and enhance police work, thereby increasing the effectiveness of investigations. The research conducted in this study primarily aims to identify paracetamol in fingerprints, considering situations involving direct contact of a person with paracetamol either chronically...
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Magnetic Signature Description of Ellipsoid-Shape Vessel Using 3D Multi-Dipole Model Fitted on Cardinal Directions
PublicationThe article presents a continuation of the research on the 3D multi-dipole model applied to the reproduction of magnetic signatures of ferromagnetic objects. The model structure has been modified to improve its flexibility - model parameters determined by optimization can now be located in the cuboid contour representing the object's hull. To stiffen the model, the training dataset was expanded to data collected from all four cardinal...