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Wyniki wyszukiwania dla: ALPHAFOLD, BLIND PREDICTION, CAPRI, CASP, DEEP LEARNING, PROTEIN ASSEMBLIES, PROTEIN COMPLEXES, PROTEIN-PROTEIN INTERACTION
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublikacjaMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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Robust output prediction of differential – algebraic systems – application to drinking water distribution system
PublikacjaThe paper presents the recursive robust output variable prediction algorithm, applicable for systems described in the form of nonlinear algebraic-differential equations. The algorithm bases on the uncertainty interval description, the system model, and the measurements. To improve the algorithm efficiency, nonlinear system models are linearised along the nominal trajectory. The effectiveness of the algorithm is demonstrated on...
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Identification of L. monocytogenes and atypical isolates by MALDI TOF MS.
Dane BadawczeThe data represent the results of research within the scientific activity Miniatura 5 entitled "Characterization of atypical Listeria monocytogenes strains isolated from the food production environment financed by the National Science Center (no. DEC 2021/05/X/NZ9/00143). The aim of this part of the project was (i) to determine the peptide composition...
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Rapid antenna design optimization using shape-preserving response prediction
PublikacjaAn approach to rapid optimization of antennas using the shape-preserving response-prediction (SPRP) technique and coarsediscretization electromagnetic (EM) simulations (as a low-fidelity model) is presented. SPRP allows us to estimate the response of the high-fidelity EM antenna model, e.g., its reflection coefficient versus frequency, using the properly selected set of so-called characteristic points of the low-fidelity model...
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Organizational Wisdom: The Impact of Organizational Learning on the Absorptive Capacity of an Enterprise
PublikacjaPurpose: In this article, we analyze the concept of organizational wisdom, indicating its key elements and verifieng the relationships between them. Design/Methodology/Approach: The study was conducted at Vive Textile Recycling Sp. z o.o in Poland. Empirical data was collected from 138 managers using the PAPI technique. Structural equation modelling (SEM) was performed to test the research hypotheses. Additionally, the significance...
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Evaluation of Facial Pulse Signals Using Deep Neural Net Models
PublikacjaThe reliable measurement of the pulse rate using remote photoplethysmography (PPG) is very important for many medical applications. In this paper we present how deep neural networks (DNNs) models can be used in the problem of PPG signal classification and pulse rate estimation. In particular, we show that the DNN-based classification results correspond to parameters describing the PPG signals (e.g. peak energy in the frequency...
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Prediction of reinforced concrete walls shear strength based on soft computing-based techniques
PublikacjaThe precise estimation of the shear strength of reinforced concrete walls is critical for structural engineers. This projection,nevertheless, is exceedingly complicated because of the varied structural geometries, plethora of load cases, and highlynonlinear relationships between the design requirements and the shear strength. Recent related design code regulationsmostly depend on experimental formulations,...
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Mining Knowledge of Respiratory Rate Quantification and Abnormal Pattern Prediction
PublikacjaThe described application of granular computing is motivated because cardiovascular disease (CVD) remains a major killer globally. There is increasing evidence that abnormal respiratory patterns might contribute to the development and progression of CVD. Consequently, a method that would support a physician in respiratory pattern evaluation should be developed. Group decision-making, tri-way reasoning, and rough set–based analysis...
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Structural Variety of Cobalt(II), Nickel(II), Zinc(II), and Cadmium(II) Complexes with 4,4′-Azopyridine: Synthesis, Structure and Luminescence Properties
PublikacjaSelf-assembled bi- and polymetallic complexes of CoII, NiII, ZnII, and CdII were obtained by the reaction of 4,4′-azopyridine (azpy) with metal tri-tert-butoxysilanethiolates (Co, 1; Cd, 2), acetylacetonates (Ni, 3; Zn, 4), and acetates (Cd, 5). All compounds were characterized by single-crystal X-ray structure analysis, elemental analysis, FTIR spectroscopy, and thermogravimetry. Complexes 1, 2 and 4, 5 exhibit diverse structural...
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Colossus from Algebron – Gamification as a Tool to Engage Students in Learning Mathematics
PublikacjaGamification is a tool that allows for high engagement in performing tasks that have been previously considered difficult or uninteresting. It works exceptionally well in education as it supports students in developing habits of learning and provides them with a visual representation of their progress in acquiring knowledge and skills. Skillful design of gamified academic courses enables the achievement of educational goals set...
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Machine-Learning Methods for Estimating Performance of Structural Concrete Members Reinforced with Fiber-Reinforced Polymers
PublikacjaIn recent years, fiber-reinforced polymers (FRP) in reinforced concrete (RC) members have gained significant attention due to their exceptional properties, including lightweight construction, high specific strength, and stiffness. These attributes have found application in structures, infrastructures, wind power equipment, and various advanced civil products. However, the production process and the extensive testing required for...
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Novel binary mixtures of alkanolamine based deep eutectic solvents with water - thermodynamic calculation and correlation of crucial physicochemical properties
PublikacjaThis paper demonstrates the assessment of physicochemical and thermodynamic properties of aqueous solutions of novel deep eutectic solvent (DES) built of tetrabutylammonium chloride and 3-amino-1-propanol or tetrabutylammonium bromide and 3-amino-1-propanol or 2-(methylamino)ethanol or 2-(butylamino)ethanol. Densities, speeds of sound, refractive indices, and viscosities for both pure and aqueous mixtures of DES were investigated...
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Novel Binary Mixtures of Alkanolamine Based Deep Eutectic Solvents with Water—Thermodynamic Calculation and Correlation of Crucial Physicochemical Properties
PublikacjaThis paper demonstrates the assessment of physicochemical and thermodynamic properties of aqueous solutions of novel deep eutectic solvent (DES) built of tetrabutylammonium chloride and 3-amino-1-propanol or tetrabutylammonium bromide and 3-amino-1-propanol or 2-(methylamino)ethanol or 2-(butylamino)ethanol. Densities, speeds of sound, refractive indices, and viscosities for both pure and aqueous mixtures of DES were investigated...
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Nano-adsorbent Modification by Deep Eutectic Solvents for Wastewater Treatment Applications
PublikacjaThe Greek “εύ” and “τήξις” term is the root of the “eutectic” word that refers to the low melting of mixture. Generally, an eutectic solvent depicts a mixture of components (at least one is in solid phase) that under particular ratios weak molecular interactions allow to obtain a mixture having melting point at a much lower temperature than that of each component (García-Álvarez 2019). Although A. P. Abbott et al. discovered the...
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New PCR test for detection of Candida glabrata based on the molecular target chosen by the RAPD technique
PublikacjaRapid, reliable diagnosis is a necessary condition for the successful treatment of infections. Such diagnostic assays are continually being developed. #e paper presents a method for selecting the molecular target for PCR-based diagnostics based on the comparison of RAPD patterns. A sequence encoding Candida glabrata CBS138 hypothetical protein was selected. The limit of detection for PCR and real-time PCR reactions with DNA extracted...
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Dehydration converts DsbG crystal diffraction from low to high resolution
PublikacjaDiffraction quality crystals are essential for crystallographic studies of protein structure, and the production of poorly diffracting crystals is often regarded as a dead end in the process. Here we show a dramatic improvement of poorly diffracting DsbG crystals allowing high-resolution diffraction data measurement. Before dehydration, the crystals are fragile and the diffraction pattern is streaky, extending to 10 Å resolution....
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Pose-Invariant Face Detection by Replacing Deep Neurons with Capsules for Thermal Imagery in Telemedicine
PublikacjaAbstract— The aim of this work was to examine the potential of thermal imaging as a cost-effective tool for convenient, non- intrusive remote monitoring of elderly people in different possible head orientations, without imposing specific behavior on users, e.g. looking toward the camera. Illumination and pose invariant head tracking is important for many medical applications as it can provide information, e.g. about vital signs, sensory...
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A Fast Prediction of the OCR Results Based on Binary Image Quality Assessment Methods
PublikacjaSince the first step of the Optical Character Recognition (OCR) procedure is usually image binarization and the execution of the OCR process takes longer time than image quality assessment (IQA) of binary images, a fast prediction of the OCR results before text recognition would be interesting for non-uniformly illuminated document images, also for applications in mobile devices. Since IQA methods for binary images usually require...
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Surrogate Modeling and Optimization Using Shape-Preserving Response Prediction: A Review
PublikacjaComputer simulation models are ubiquitous in modern engineering design. In many cases, they are the only way to evaluate a given design with sufficient fidelity. Unfortunately, an added computa-tional expense is associated with higher fidelity models. Moreover, the systems being considered are often highly nonlinear and may feature a large number of designable parameters. Therefore, it may be impractical to solve the design problem...
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Przydatność białka rybiego w postaci kolagenu lub żelatyny oraz polisacharydu - kapa-karagenu do wytwarzania aktywnych opakowań biodegradowalnych = Usefulness of fish collagen, gelatin and carrageenan for preparation of active biodegradable packages
PublikacjaSummary - The possibility of use of protein films made of fish collagen or gelatin as well as polysaccharide carrageenan films as carriers of enzymes (lysozyme or lysostaphyne), for preparation of microbiologically active packages, was investigated. It was found that crosslinking of such systems with N-[3(dimethylamino)propyl]-N'-ethylcarboimide (EDC) does not influence the activity of lysozyme immobilized in the films (Table 1)....
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Impact of postharvest processing on the health benefits of durian-derived products
PublikacjaDurian (Durio zibethinus Murr.) is a seasonal fruit with a short harvesting period, requiring postharvest processing such as cutting, peeling, freeze-drying, cooking, and frying to enhance its shelf life and nutritional quality. In this study, fresh Monthong durian (MTD), MTD Sticks, MTD Cake, and MTD Chips were analyzed for polyphenols, phenolic acids, tannins, flavonoids and thermal stability. Antioxidant activity was assessed...
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E-Learning Service Management System For Migration Towards Future Internet Architectures
PublikacjaAs access to knowledge and continuous learning are among the most valuable assets in modern, technological society, it is hardly surprising that e-learning solutions can be counted amongst the most important groups of services being deployed in modern network systems. Based on analysis of their current state-of-the-art, we decided to concentrate our research and development work on designing and implementing a management system...
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A Highly Scalable, Modular Architecture for Computer Aided Assessment e-Learning Systems
PublikacjaIn this chapter, the authors propose a novel e-learning system, dedicated strictly to knowledge assessment tasks. In its functioning it utilizes web-based technologies, but its design differs radically from currently popular e-learning solutions which rely mostly on thin-client architecture. The authors' research proved that such architecture, while well suited for didactic content distribution systems is ill-suited for knowledge...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublikacjaTwo novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an...
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CYP3A4 overexpression enhances apoptosis induced by anticancer agent imidazoacridinone C-1311, but does not change the metabolism of C-1311 in CHO cells
PublikacjaWe examine whether CYP3A4 overexpression influences the rate and pattern of antitumor imidazoacridinone C-1311 metabolism, in relation to the impact of this overexpression on cell cycle progression and final cellular response of CHO cells following C-1311 treatment. Methods: Three CHO cell lines: CHO-WT, wild type, CHO-HR, overexpressing cytochrome P450 reductase (CPR) and CHO-HR-3A4, coexpressing CPR and CYP3A4 were applied....
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Alphitobius diaperinus larvae (lesser mealworm) as human food – An approval of the European Commission – A critical review
PublikacjaDue to the increasing threat of climate change and the need for sustainable food sources, human consumption of edible insects or entomophagy has gained considerable attention globally. The larvae of Alphitobius diaperinus Panzer (Coleoptera: Tenebrionidae), also known as the lesser mealworm, have been identified as a promising candidate for mass-rearing as a food source based the on evaluation on several aspects such as the production...
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Edible Lepidoptera as human foods – a comprehensive review
PublikacjaAs the global population continues to grow, traditional protein sources like meat and fish are becoming increasingly unsustainable due to their environmental impact. Edible insects, on the other hand, are highly nutritious, require minimal resources to produce, and emit significantly fewer greenhouse gases than traditional livestock. Lepidoptera, one of the most diverse insect orders, contains some popular edible species that have...
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Two bacterial small heat shock proteins, IbpA and IbpB, form a functional heterodimer
PublikacjaSmall heat shock proteins (sHsps) are a conserved class of ATP-independent chaperones which in stress conditions bind to unfolded protein substrates and prevent their irreversible aggregation. Substrates trapped in sHsps-containing aggregates are efficiently refolded into native structures by ATP-dependent Hsp70 and Hsp100 chaperones. Most γ-proteobacteria possess a single sHsp (IbpA), while in a subset of Enterobacterales, as...
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Identification of antigen Ag43 in uropathogenic Escherichia coli Dr+ strains and defining its role in the pathogenesis of urinary tract infections
PublikacjaUrinary tract infections (UTIs) caused by uropathogenic Escherichia coli (UPEC) are among the most common bacterial infectious diseases in the developed world. The urovirulence of UPEC is mainly associated with the surface-exposed fimbrial adhesins and adhesins of the autotransporter (AT) family. The best studied of theses proteins is antigen 43 (Ag43) mediating cell aggregation, adhesion and biofilm development as the causes of...
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Electrosynthesis of potato starch-casein complexes
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Electrosynthesis of carboxymethyl cellulose – ovoalbumin complexes
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Thiolate complexes of molybdenum. synthesis and application
PublikacjaZwiązki molibdenu, w tym siarczki, posiadają własności katalityczne i są szeroko wykorzystywane m.in. w przemyśle petrochemicznym. Enzym nitrogenaza posiadający w centrum aktywnym molibdenu umożliwia reakcję redukcji azotu atmosferycznego w niskiej temperaturze i pod ciśnieniem atmosferycznym. Ta sama reakcja w przemyśle wymaga zastosowania znacznie bardziej drastycznych warunków. Stąd wieloletnie zainteresowanie badaczy możliwością...
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Autonomous port management based AGV path planning and optimization via an ensemble reinforcement learning framework
PublikacjaThe rapid development of shipping trade pushes automated container terminals toward the direction of intelligence, safety and efficiency. In particular, the formulation of AGV scheduling tasks and the safety and stability of transportation path is an important part of port operation and management, and it is one of the basic tasks to build an intelligent port. Existing research mainly focuses on collaborative operation between...
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Deep neural networks approach to skin lesions classification — A comparative analysis
PublikacjaThe paper presents the results of research on the use of Deep Neural Networks (DNN) for automatic classification of the skin lesions. The authors have focused on the most effective kind of DNNs for image processing, namely Convolutional Neural Networks (CNN). In particular, three kinds of CNN were analyzed: VGG19, Residual Networks (ResNet) and the hybrid of VGG19 CNN with the Support Vector Machine (SVM). The research was carried...
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Predicting a passenger ship's response during evasive maneuvers using Bayesian Learning
PublikacjaThe rapidly advancing automation of the maritime industry – for instance, through onboard Decision Support Systems (DSS) – can facilitate the introduction of advanced solutions supporting the process of collision avoidance at sea. Nevertheless, relevant solutions that aim to correctly predict a ship's behavior in irregular waves are only available to a limited extent by omitting the impact of wave stochastics on resulting evasive...
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Simulation of fluid structure interaction in a novel design of high pressure axial piston pump
PublikacjaA novel type of an axial, piston-driven high pressure hydraulic pump with variable capacity marks a significant improvement in the area of the hydraulic machinery design. Total discharge from hydrostatic forces eliminates a need for a servomechanism, thus simplifying operation, reducing weight and introducing the possibility of the pump displacement control by computer. PWK-type pumps, invented in the Gdansk University of Technology,...
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Continuous learning as a method of raising qualifications – the perspective of workers, employers and training organizations
PublikacjaContinuous learning is discussed in strategic documents of Poland and the European Union. In Poland, the idea of continuous learning is not very popular. However, in the context of strong competition in the labour market and the progressive globalization processes, the skills issue takes on new meaning — both for employees and employers. In order to adapt skills to labour market needs it is necessary to conduct adequate studies...
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublikacjaMonocrystals of dinuclear 1,4-bis(3-aminopropyl)piperazine-�4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-�S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(�-BAPP)], 1, and polynuclear catena-poly[[bis- (tri-tert-butoxysilanethiolato-�S)cadmium(II)]-�-1,4-bis(3-aminopropyl)piperazine-�2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(�-BAPP)]n, 2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublikacjaMonocrystals of dinuclear -1,4-bis(3-aminopropyl)piperazine-4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(-BAPP)], 1, and polynuclear catena-poly[[bis-(tri-tert-butoxysilanethiolato-S)cadmium(II)]--1,4-bis(3-aminopropyl)piperazine-2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(-BAPP)]n,2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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Divide and not forget: Ensemble of selectively trained experts in Continual Learning
PublikacjaClass-incremental learning is becoming more popular as it helps models widen their applicability while not forgetting what they already know. A trend in this area is to use a mixture-of-expert technique, where different models work together to solve the task. However, the experts are usually trained all at once using whole task data, which makes them all prone to forgetting and increasing computational burden. To address this limitation,...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublikacjaWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Deep slot effect in the squirrel-cage induction motors with scalar (V/F) control
PublikacjaQualitative characteristics of the electrical drive considerably depend on identification accuracy of math model parameters. In particular, it is depend on detection accuracy of stator active resistance r1 that is used in calculation of flux linkages, rotary speed in sensorless control systems. Paper provides analysis of influence of stator deep slot effect to stator active resistance value
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Machine-Learning-Based Global Optimization of Microwave Passives with Variable-Fidelity EM Models and Response Features
PublikacjaMaximizing microwave passive component performance demands precise parameter tuning, particularly as modern circuits grow increasingly intricate. Yet, achieving this often requires a comprehensive approach due to their complex geometries and miniaturized structures. However, the computational burden of optimizing these components via full-wave electromagnetic (EM) simulations is substantial. EM analysis remains crucial for circuit...
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Multimedia industrial and medical applications supported by machine learning
PublikacjaThis article outlines a keynote paper presented at the Intelligent DecisionTechnologies conference providing a part of the KES Multi-theme Conference “Smart Digital Futures” organized in Rome on June 14–16, 2023. It briefly discusses projects related to traffic control using developed intelligent traffic signs and diagnosing the health of wind turbine mechanisms and multimodal biometric authentication for banking branches to provide...
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Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublikacjaWe report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss...
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The site at the cape Zidine in Lopar in the context of coastal residential and commercial complexes of Rab Island
PublikacjaSince 2013, the “Archaeological topography of the island of Rab” project has approached the island’s archaeology holistically and interdisciplinary, tackling all periods and archaeological evidence present on the island. Nevertheless, mostly due to a large amount of new data, a significant segment of research is devoted to Roman residential and production complexes, located either in the island’s fields or along the coast. Thus,...
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Predicting the Purchase of Electricity Prices for Renewable Energy Sources Based on Polish Power Grids Data Using Deep Learning Models for Controlling Small Hybrid PV Microinstallations
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Review of Selected Methods for Prediction of Added Resistance in Following Waves
PublikacjaThe added resistance in waves is a mean value of non-linear, second order reaction of a ship to incoming waves. In the beginning of the 20th century, the experimental methods for investigation of ship hydrodynamics at model scale were developed. They allowed the evaluation of added resistance by measurements in irregular waves (directly) or by measurements in regular waves (in-direct method). The main goal was to find more precise...
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Fragmentomic analysis of biopeptides in silico released from milk proteins
PublikacjaThe fragmentomic-assisted method was employed to predict the biological potential of peptides derived from milk proteins hydrolyzed by papain and bromelain. Firstly, protein sequences were acquired from the BIOPEP-UWM database and then hydrolyzed by the above enzymes using a BIOPEP-UWM tool called “Enzyme(s) action”. The released peptides were defined as parent peptides and further analyzed for the presence of shorter peptidic...
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Are firefighters able to perform blind endotracheal intubation via LMA Fastrach? An experimental study
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