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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublikacjaOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Modeling of performance and safety of a multi-task unmanned autonomous maritime vehicle = Modelowanie ruchu i bezpieczeństwa wielozadaniowego bezzałogowego autonomicznego pojazdu wodnego
PublikacjaAt the beginning of the paper the aim of research is presented. Then the method is introduced. Next, the unmanned autonomous maritime vehicle is briefly described. The following chapter concerns a model of vehicle performance including the ballasting and motion. Some information on an integrated steering, positioning and stabilization system of the vehicle is briefly presented in the paper. Such the system enables to obtain a fully...
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Urban flash flood hazard identification and assessment applying geospatial techniques and hydrodynamic modeling; Erbil city case study, Kurdistan Region of Iraq
PublikacjaThis dissertation aims to investigate the factors behind flash flooding in Erbil's central district, located in the Kurdistan Region of Iraq, and develop a methodology for assessing flood hazards in the city, despite limited data accessibility. In this thesis, each factor was investigated, including analyzing extreme precipitation events in the last two decades, including their spatial and temporal distribution of rainfall, intensity,...
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Application of chemometric modeling for ionic liquid-based ultrasonic-assisted dispersive liquid-liquid microextraction: Analysis of fosetyl-aluminum in fruit and vegetable samples
PublikacjaThis manuscript presents a new method for selective extraction and determination of fosetyl-aluminum in fruits and vegetable samples based on ultrasonic-assisted dispersive liquid-liquid microextraction method using ionic liquids (IL-UA-DLLME). A UV-Visible spectrophotometer was used for detection and quantification. Plants used for sample collection were grown under controlled conditions in a greenhouse. Central composite design...
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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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Adaptive Expectation Maximization Smoothing (AEMS) inverse technique forindirect fish target strenght estimation. W: [CD-ROM] Full Papers. 6th ICES Symposium on Acoustics in Fisheries and Aquatic Ecology. Montpellier, 10-14 June 2002. [Montpellier: Ifremer]**2002, [6 s.] 5 rys. bibliogr. 5 poz. Zastosowanie adaptacyjnej metody EMS do pośredniej estymacji siły celu ryb.
PublikacjaW pracy przedstawiono modyfikację statystycznej metody EMS (ang. Expecta-tion, Maximization, Smoothing) stosowanej w zagadnienia odwrotnych, polega-jącą na iteracyjnym rozwiązaniu równania Fredholma. Pokazano jej zastosowa-nie do pośredniej estymacji siły celu ryb stosowanej dla danych pozyskanychprzez hydroakustyczne systemy jednowiązkowe wykorzystywane w przeszukiwa-niach akustycznych. Wyniki porównano z rezultatami uzyskanymi...
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Piotr Chrzan prof. dr hab. inż.
OsobyUrodził się w 1954 r. w Sopocie. Jest absolwentem Wydziału Elektroniki Politechniki Gdańskiej (1978). W 1980 r. podjął pracę na Wydziale Elektrycznym w zespole prof. Jerzego Jaczewskiego. W 1988 r. uzyskał stopień naukowy doktora nauk technicznych, habilitację w 1999 r., w zakresie elektrotechniki: energoelektroniki i automatyki napędu, a tytuł profesora w 2017 r. Był promotorem 6 obronionych prac doktorskich (w tym 3 z wyróżnieniem)....
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Katarzyna Merkel dr hab.
OsobyOver the past 15 years, my work has mainly been related to the study of liquid crystal compounds with a diverse structure (discotic, dendrimeric, banana, bimedogenic, uniaxial and biaxial nematics and smectics) as well as polymeric materials (biopolymers, nano-composites) and biological materials. My work concerned mainly the issues of organization, observation of orientation effects, studying the dynamics of molecular processes...
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Molecular modeling study of tectoquinone and acteoside from Tectona grandis linn: a new SARS-CoV-2 main protease inhibitor against COVID-19
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Modelowanie procesów oscylacyjnych w układach z membraną ciekłą i kationowym surfaktanetm = Modeling of oscillation processes in systems with liquid membrane and cationic surfactant
PublikacjaBadano mechanizm oscylacji róznicy potencjału elektrycznego między fazami wodnymi trójfazowego układu z membraną ciekłą zawierającą kwas pikrynowy rozpuszcony w nitrobenzenie. Wodna faza donorowa zawierała kationowy surfaktant (bromek heksadecylotrimetyloamoniowy) i etanol. Faza akceptorowa składała się z wodnego roztworu sacharozy. Mechanizm sugeruje, że gwałtowna adsorpcja i desorpcja surfaktantu na granicy fazy akceptorowej...
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Jarosław Guziński prof. dr hab. inż.
OsobySTOPNIE NAUKOWE 2021 Tytuł profesora nauk inżynieryjno-technicznych. 2012 Stopień doktora habilitowanego nauk technicznych – Wydział Elektrotechniki i Automatyki PG. Rozprawa habilitacyjna „Układy napędowe z silnikami indukcyjnymi i filtrami wyjściowymi falowników. Zagadnienia wybrane”. Kolokwium i nadanie stopnia doktora habilitowanego 29 maja 2012 r. Monografia uzyskała nagrodę naukową Wydziału IV Nauk Technicznych Polskiej...
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Zbigniew Lubośny prof. dr hab. inż.
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Bohdan Pakhaliuk PhD student
OsobyBohdan Pakhaliuk received the B.Sc. and M.Sc. degrees in industrial electonics from Chernihiv National University of Technology, Chernihiv, Ukraine, in 2016 and 2018 respectively. He is PhD student of double postgraduate study, in Gdansk University of Technology and Chernihiv National University of Technology. He is junior researcher of the Department of Biomedical Radioelectronics Apparatus and Systems, Chernihiv National University...
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Towards Knowledge Sharing Oriented Adaptive Control
PublikacjaIn this paper, we propose a knowledge sharing oriented approach to enable a robot to reuse other robots' knowledge by adapting itself to the inverse dynamics model of the knowledge-sharing robot. The purpose of this work is to remove the heavy fine-tuning procedure required before using a new robot for a task via reusing other robots' knowledge. We use the Neural Knowledge DNA (NK-DNA) to help robots gain empirical knowledge and...
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Michał Michna dr hab. inż.
OsobyJest absolwentem Wydziału Elektrycznego Politechniki Gdańskiej (1998). W 2004 r. uzyskał stopień doktora. Od 2004 r. zatrudniony w Katedrze Energoelektroniki i Maszyn Elektrycznych Politechniki Gdańskiej (asystent, adiunkt, starszy wykładowca). W latach 2010-2015 zastępca kierownik katedry. Jego zainteresowania naukowe i dydaktyczne obejmują szerokie spektrum zagadnień związanych z projektowanie, modelowanie i diagnostyką maszyn...
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Active Control of Highly Autocorrelated Machinery Noise in Multivariate Nonminimum Phase Systems
PublikacjaIn this paper, a novel multivariate active noise control scheme, designed to attenuate disturbances with high autocorrelation characteristics and preserve background signals, is proposed. The algorithm belongs to the class of feedback controllers and, unlike the popular feedforward FX-LMS approach, does not require availability of a reference signal. The proposed approach draws its inspiration from the iterative learning control...
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Exploiting the S4–S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling Analysis
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Adsorption of lead (Pb-II) using CaO-NPs synthesized by solgel process from hen eggshell: Response surface methodology for modeling, optimization and kinetic studies
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Bond graph modeling of the new generation engine cooling systems = Zastosowanie metody grafów wiązań do modelowania nowej generacji układów chłodzenia silników spalinowych
PublikacjaW referacie szczegółowo opisano modele wymiany ciepła i przepływów w układzie chłodzenia. Metoda grafów wiązań okazała się szczególnie użyteczną dla modelowania skomplikowanych systemów energetycznych o różnych postaciach energii. Jako przykładu użyto obiegu chłodzenia silnika badawczego na hamowni silnikowej.
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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
PublikacjaA 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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Modeling and control of a redundantly actuated variable mass 3RRR planar manipulator controlled by a model-based feedforward and a model-based-proportional-derivative feedforward–feedback controller
PublikacjaIn the paper, dynamics of a complex mechatronics system is considered. A redundantly actuated planar manipulator is the base of the mechanical part of it. It is a 3RRR 1 platform based parallel manipulator. To control its trajectory, a model-based feedforward controller is employed. Three aspects are fundamental in the presented investigations. The first focus is on development of an accurate numerical model used to solve the inverse...
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Magdalena Brzozowska-Woś dr hab. inż.
OsobyMagdalena Brzozowska-Woś jest absolwentką Wydziału Zarządzania i Ekonomii Politechniki Gdańskiej (specjalność: systemy zarządzania). Jest również absolwentką Podyplomowego Studium Reklamy (Wydział Zarządzania i Ekonomii PG) oraz Podyplomowego Studium Public Relations (SWPS Uniwersytet Humanistycznospołeczny). W latach 2000-2003 współpracowała z Panoramą Internetu sp. z o. o. jako specjalista ds. marketingu. Pełniła również obowiązki...
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Ionic liquid-assisted sol-gel synthesis of Fe2O3-TiO2 for enhanced photocatalytic degradation of bisphenol a under UV illumination: Modeling and optimization using response surface methodology
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Review of Methods for Diagnosing the Degradation Process in Power Units Cooperating with Renewable Energy Sources Using Artificial Intelligence
PublikacjaThis work is based on a literature review (191). It mainly refers to two diagnostic methods based on artificial intelligence. This review presents new possibilities for using genetic algorithms (GAs) for diagnostic purposes in power plants transitioning to cooperation with renewable energy sources (RESs). The genetic method is rarely used directly in the modeling of thermal-flow analysis. However, this assignment proves that the...
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International Journal of Computational Bioinformatics and In Silico Modeling
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New Alternative Passive Networks to Improve the Range Output Voltage Regulation of the PWM Inverters
PublikacjaThis paper presents different topologies of buck-boost converters with passive input networks that have alternative topologies; this is known in the literature as a Z-source inverter. Alternative passive networks were named by the authors as T-inverters; these improve output voltage regulation of the PWM inverters. T-inverter has fewer reactive components in comparison to conventional Z-source inverter. The most significant advantage...
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Comprehensive dimension scaling of multi-band antennas for operating frequencies and substrate parameters
PublikacjaIn this paper, low-cost and comprehensive redesign of multi-band antennas with respect to the operating frequencies and material parameters of the substrate is presented. Our approach exploits an inverse surrogate model identified based on a set of reference designs optimized at the level of coarse-discretization EM simulations of the antenna at hand. An iterative correction procedure is also implemented to account for the initial...
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A Simulation Model for Risk and Pricing Competition in the Retail Lending Market
PublikacjaWe propose a simulation model of the retail lending market with two types of agents: borrowers searching for low interest rates and lenders competing through risk-based pricing. We show that individual banks observe adverse selection, even if every lender applies the same pricing strategy and a credit scoring model of comparable discrimination power. Additionally, the model justifies the reverse-S shape of the response rate curve....
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Adrian Bekasiewicz dr hab. inż.
OsobyAdrian Bekasiewicz received the MSc, PhD, and DSc degrees in electronic engineering from Gdansk University of Technology, Poland, in 2011, 2016, and 2020, respectively. In 2014, he joined Engineering Optimization & Modeling Center where he held a Research Associate and a Postdoctoral Fellow positions, respectively. Currently, he is an Associate Professor with Gdansk University of Technology, Poland. His research interests include...
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Modeling in Machine Design
Kursy OnlineThe course is meant to show the students how to build calculation models in machine design
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Exploring the interfacial effects at the ETL/perovskite boundary in the semitransparent perovskite solar cells
PublikacjaThe recent focus has been made on the perovskite solar cells (PSCs) with an inverted configuration, where substantial improvements have been already achieved. However, the p–i–n structure needs a buffer layer for most of the configurations to modify the work-function of a deposited electrode. Additionally and very importantly, such a layer can also serve as a protective film that improves a stability of solar cells. Here, we study...
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Longlife Invest Longlife Invest – Realizacja pilotażowego projektu Longlife poprzez budowę akademika Uniwersytetu w Kłajpedzie.
ProjektyProjekt realizowany w Wydział Inżynierii Lądowej i Środowiska zgodnie z porozumieniem #106 z dnia 2013-02-01
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Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Dane BadawczeAdiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic...
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Modeling and optimizing the removal of cadmium by Sinapis alba L. from contaminated soil via Response Surface Methodology and Artificial Neural Networks during assisted phytoremediation with sewage sludge
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Jerzy Kowalski dr hab. inż.
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Multibody models for gait analysis
PublikacjaThe aim of this study was to create multibody biomechanical models to analyze a normal gait of the human. Proposed models can be used to identify joint moments of the lower limbs during normal gait in the single and double support phases. Applying Newton-Euler formulation, following planar models were developed: 1) a mathematical 6DOF model describing a gait in the sagittal plane of the body for single support phase and double...
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Preserving Trees in Automata
PublikacjaWe present a method to store additional information in a minimal automaton so that it is possible to compute a corresponding tree node number for a state. The number can then be used to retrieve additional information. The method works for minimal (and any other) deterministic acyclic finite state automata (DFAs). We also show how to compute the inverse mapping.
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Attractors of dissipative homeomorphisms of the infinite surface homeomorphic to a punctured sphere
PublikacjaA class of dissipative orientation preserving homeomorphisms of the infinite annulus,pairs of pants, or generally any infinite surface homeomorphic to a punctured sphere isconsidered. We prove that in some isotopy classes the local behavior of such homeomor-phisms at a fixed point, namely the existence of so-called inverse saddle, impacts thetopology of the attractor — it cannot be arcwise connected
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Materials science. Quantum particle approach. 2022.
Kursy Onlinequantum methods for materials and molecular modeling.
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Material Science Quantum Particle Approach 2021
Kursy Onlinequantum methods for materials and molecular modeling.
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Introductory modeling for decision-making using AMPL
Kursy OnlineIntroductory modeling for decision-making using AMPL
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Modeling projects for decision-making using AMPL
Kursy OnlineModeling projects for decision-making using AMPL
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Particle Shape Effect on Macroscopic Behaviour of Underground Structures: Numerical and Experimental Study
PublikacjaThe mechanical performance of underground flexible structures such as buried pipes or culverts made of plastics depend not only on the properties of the structure, but also the material surrounding it. Flexible drains can deflect by 30% with the joints staying tight, or even invert. Large deformations of the structure are difficult to model in the framework of Finite Element Method, but straightforward in Discrete Element Methods....
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Particle Shape Effect on Macroscopic Behaviour of Underground Structures: Numerical and Experimental Study
PublikacjaAbstract: The mechanical performance of underground flexible structures such as buried pipes or culverts made of plastics depend not only on the properties of the structure, but also on the material surrounding it. Flexible drains can deflect by 30% with the joints staying tight, or even invert. Large deformations of the structure are difficult to model in the framework of Finite Element Method, but straightforward in Discrete...
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Measurement and Modeling of Computer Systems (ACM SIG on Computer and Communications Metrics and Performance)
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Frequency-Variant Double-Zero Single-Pole Reactive Coupling Networks for Coupled-Resonator Microwave Bandpass Filters
PublikacjaIn this work, a family of frequency-variant reactive coupling (FVRC) networks is introduced and discussed as new building blocks for the synthesis of coupled-resonator bandpass filters with real or complex transmission zeros (TZs). The FVRC is a type of nonideal frequency-dependent inverter that has nonzero elements on the diagonal of the impedance matrix, along with a nonlinear frequency-variation profile of its transimpedance...
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Modeling of the alcohol dehydrogenase active site. Two different modes of alcohol binding in crystals of zinc and cadmium tri-tert-butoxysilanethiolates evidenced by X-ray diffraction and solid state vibrational spectroscopy
PublikacjaOpisano syntezę, struktury cząsteczkowe oraz widma FT-IR, 1H. 13C, 29Si, 113Cd NMR dziesięciu nowych, mieszanoligandowych kompleksów cynku i kadmu z ligandem tri-tert-butoksysilanotiolanowym i pochodnymi imidazolu. Za pomocą rentgenowskiej analizy strukturalnej i spektroskopii w podczerwieni udokumentowano dwa różne sposoby wiązania etanolu i metanolu w kryształach tych związków. Opisane kompleksy stanowią modele miejsca aktywnego...
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A Systematic Review for Establishing Relevant Environmental Parameters for Urban Lighting: Translating Research into Practice
PublikacjaThe application of lighting technologies developed in the 20th century has increased the brightness and changed the spectral composition of nocturnal night-time habitats and night skies across urban, peri-urban, rural, and pristine landscapes, and subsequently, researchers have observed the disturbance of biological rhythms of flora and fauna. To reduce these impacts, it is essential to translate relevant knowledge about the potential...
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Development of Safirinium dyes for new applications: fluorescent staining of bacteria, human kidney cells, and the horny layer of the epidermis
PublikacjaLow-molecular synthetic fluorophores are convenient tools in bioimaging applications. Several derivatives of Safirinium dyes as well as their reactive N-hydroxysuccinimide (NHS) esters bearing diverse substituents were synthesized and evaluated experimentally in terms of their lipophilicity by means of reverse-phase and immobilized artificial membrane high-performance liquid chromatography. Subsequently, the selected compounds...
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Four level inverter's DC bus voltage balancing with 3-terminal DAB converter
Publikacja—Multilevel inverters become more and more popular, especially in the medium or high voltage and high power applications. Unfortunately, some of inverter topologies require additional DC bus voltage balancing systems. This paper presents a novel approach to such systems, which is based on a multiple terminal DAB converter. Along with the voltage balancing function the proposed solution enables the connection of energy storage devices...