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Wyniki wyszukiwania dla: MOLECULAR-ORBITAL METHODS
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Electrochemical methods for corrosion rate determination under cathodic polarisation conditions - a review. Part I - DC methods
PublikacjaPrzedstawiono krytyczny przegląd prac dotyczących wykorzystania metod elektrochemicznych stałoprądowych do wyznaczania prądu korozyjnego metali polaryzowanych katodowo. Opisano dotychczasowe sposoby oceny skuteczności ochrony katodowej na podstawie pomiarów krzywych polaryzacji i rezystancji polaryzacyjnej. Scharakteryzowano metody matematyczne i oprogramowanie opracowane do analizy komputerowej krzywych polaryzacji w celu wyznaczenia...
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Influence of datasets decreased by applying reduction and generation methods on Digital Terrain Models
PublikacjaThe number of point clouds provided by LiDAR technology can be sometimes seen as a problem in development and further processing for given purposes (e.g. Digital Terrain Model (DTM) generation). Therefore, there is still a need to reduce the obtained big datasets. Reducing can be done, inter alia, by reducing the size of the set or by generating the set. This paper presents two variants of the reduction of point clouds in order...
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Silver and Silver/Sodium Bisphosphonate Salts: Rare Examples of Molecular Solid Solutions and Their Biological Activity as Dual-Action Compounds
PublikacjaBisphosphonates (BPs) are an important treatment for osteoporosis and bone metastases due to their low toxicity, high thermostability, and the ability to inhibit bone resorption. Notably, BPs like alendronate, which contain a primary amine group, exhibit potent antiresorptive and antiangiogenic properties. Recent studies have focused on enhancing the BP properties by incorporating bioactive metals to increase their therapeutic...
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Impact of Energy Slope Averaging Methods on Numerical Solution of 1D Steady Gradually Varied Flow
PublikacjaIn this paper, energy slope averaging in the one-dimensional steady gradually varied flow model is considered. For this purpose, different methods of averaging the energy slope between cross-sections are used. The most popular are arithmetic, geometric, harmonic and hydraulic means. However, from the formal viewpoint, the application of different averaging formulas results in different numerical integration formulas. This study...
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PLS-Based and Regularization-Based Methods for the Selection of Relevant Variables in Non-targeted Metabolomics Data
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Comparison of selected parametric methods for prediction of inland waterways ship hull resistance in towing tank test
PublikacjaIn the paper selected approximate methods for calculation of inland waterways ship resistance and their verification by towing tests, compared on the example of a small urban ferry, are presented. The test results are made for both the bare hull and the hull with appendages (skeg, azimuthal propeller). Significant differences between results of the theoretical methods and experimental ones, especially in the case of the model with...
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Analysis of Methods for Determining Shallow Waterbody Depths Based on Images Taken by Unmanned Aerial Vehicles
PublikacjaHydrographic surveys enable the acquisition and processing of bathymetric data, which after being plotted onto nautical charts, can help to ensure safety of navigation, monitor changes in the coastal zone, and assess hydro-engineering structure conditions. This study involves the measurement of waterbody depth, identification of the seabed shape and geomorphology, the coastline course, and the location of underwater obstacles....
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublikacjaIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Improving Traffic Light Recognition Methods using Shifting Time-Windows
PublikacjaWe propose a novel method of improving algorithms recognizing traffic lights in video sequences. Our focus is on algorithms for applications which notify the driver of a light in sight. Many existing methods process images in the recording separately. Our method bases on the observation that real-life videos depict underlying continuous processes. We named our method FSA (Frame Sequence Analyzed). It is applicable for any underlying...
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Interpolation methods in GPR tomographic imaging of linear and volume anomalies for cultural heritage diagnostics
PublikacjaThis paper presents results of a ground penetrating radar (GPR) survey conducted in St. Joseph’s Church in Gdańsk, Poland. The aim of the study was to produce tomographic imaging of a renovated floor as well as the objects buried under the floor to detect linear and volume inclusions. The assumed track spacing was meaningfully greater than the single signal spacing in each track, which induced the need for interpolation methods...
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Comparison of Tire Rolling Resistance Measuring Methods for Different Surfaces
PublikacjaThe rolling resistance of car tires is one of the most important parameters characterizing tires today. This resistance has a very significant contribution to the energy consumption of wheeled vehicles. The climate crisis has forced tire and car manufacturers to place great emphasis on the environmental impact of their products. Paradoxically, the development of electric vehicles has led to an even greater importance of rolling...
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Molecular dynamics study of 4-OH-phenylacetyl- D -Y(Me)FQNRPR-NH 2 selectivity to V1a receptor
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Critical review of propeller performance scaling methods based on model experiments and numerical calculations
PublikacjaThe article presents the results of experimental and theoretical investigation of propeller scale effects. The objective of this investigation is to test the adequacy of the methods currently used and to develop possible improvement of the methods.New approaches to the problem and new procedures to account for the propeller scale effects are suggested. The description of the underlying experimental and theoretical research is included.
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Myrosinase activity in different plant samples; optimisation of measurement conditions for spectrophotometric and pH-stat methods
PublikacjaMyrosinase found in Brassicaceae plants, is the enzyme responsible for hydrolysis of glucosinolates. As a result a variety of biologically active metabolites are liberated, whose importance in crop protection and especially in cancer chemoprevention is rapidly gaining recognition. The growing practical application of glucosinolate degradation products requires that sensitive and reliable methods of myrosinase activity determination...
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Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublikacjaThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
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Further developments of parameterization methods of audio stream analysis for secuirty purposes
PublikacjaThe paper presents an automatic sound recognition algorithm intended for application in an audiovisual security monitoring system. A distributed character of security systems does not allow for simultaneous observation of multiple multimedia streams, thus an automatic recognition algorithm must be introduced. In the paper, a module for the parameterization and automatic detection of audio events is described. The spectral analyses...
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The potential of computational methods for the categorization of architectural objects on the example of media architecture
PublikacjaThe paper presents an example of the categorization of architectural objects and assessment of the characteristics of urban space, based on the analysis of specific features of architectural objects and urban landscape. The conducted analysis refers to media architecture and is presented in the complex context of the development of media solutions. The field of influence of IT on architecture is also stressed, both on the architect’s...
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Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublikacjaHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
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INTRODUCING GREENERY INTO A BUILDING BASED ON ITS IMPACT ON HUMAN WELLBEING - REVIEW OF THEORIES AND METHODS IN ARCHITECTURE
PublikacjaGreenery around and within buildings is an integral part of architectural space. Although science is providing more and more knowledge about the impact of greenery on human well-being, there is still a lack of guidelines on how to apply this knowledge in architectural design. The purpose of this review article is to prepare the ground for further research on how to support architectural design in integrating greenery as a co-creative...
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublikacjaAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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Common methods for the chiral determination of amphetamine and related compounds I. Gas, liquid and thin-layer chromatography
PublikacjaThis article reviews the most common, useful methods for the chiral determination of amphetamine (AM) and AM-deriveddesigner drugs in different of matrix, including blood, hair, urine, medicaments or standard solutions, taking into considerationarticles published in the past 15 years. We consider chromatographic methods (e.g., gas, liquid, high-performance liquid, and thinlayer). We describe several types of chiral derivatization...
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Study of Statistical Text Representation Methods for Performance Improvement of a Hierarchical Attention Network
PublikacjaTo effectively process textual data, many approaches have been proposed to create text representations. The transformation of a text into a form of numbers that can be computed using computers is crucial for further applications in downstream tasks such as document classification, document summarization, and so forth. In our work, we study the quality of text representations using statistical methods and compare them to approaches...
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Mariusz Kaczmarek dr hab. inż.
OsobyReceived M.Sc., Eng. in Electronics in 1995 from Gdansk University of Technology, Ph.D. in Medical Electronics in 2003 and habilitation in Biocybernetics and Biomedical Engineering in 2017. He was an investigator in about 13 projects receiving a number of awards, including four best papers, practical innovations (7 medals and awards) and also the Andronicos G. Kantsios Award and Siemens Award. Main research activities: the issues...
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Comment on "Quantitative comparison of analysis methods for spectroscopic optical coherence tomography"
PublikacjaIn a recent paper by Bosschaart et al. [Biomed. Opt. Express 4, 2570 (2013)] various algorithms of time-frequency signal analysis have been tested for their performance in blood analysis with spectroscopic optical coherence tomography sOCT). The measurement of hemoglobin concentration and oxygen saturation based on blood absorption spectra have been considered. Short time Fourier transform (STFT) was found as the best method for...
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Analysis of Image Preprocessing and Binarization Methods for OCR-Based Detection and Classification of Electronic Integrated Circuit Labeling
PublikacjaAutomatic recognition and classification of electronic integrated circuits based on optical character recognition combined with the analysis of the shape of their housings are essential to machine vision methods supporting the production of electronic parts, especially small-volume ones in the through-hole technology, characteristic of printed circuit boards. Since such methods utilize binary images, applying appropriate image...
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Designing acoustic scattering elements using machine learning methods
PublikacjaIn the process of the design and correction of room acoustic properties, it is often necessary to select the appropriate type of acoustic treatment devices and make decisions regarding their size, geometry, and location of the devices inside the room under the treatment process. The goal of this doctoral dissertation is to develop and validate a mathematical model that allows predicting the effects of the application of the scattering...
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[AEiE] Introduction to advanced numerical methods in engineering
Kursy Online{mlang pl} Dyscyplina: automatyka, elektronika i elektrotechnika Zajęcia obowiązkowe dla doktorantów II roku Prowadzący: dr hab. inż. Robert Bogdanowicz, prof. PG, dr inż. Grzegorz Fotyga, dr hab. inż. Piotr Kowalczyk, prof. PG, dr hab. inż. Rafał Lech, prof. PG, dr hab. inż. Paweł Wierzba, prof. PG Liczba godzin: 15 Forma zajęć: wykład Kurs realizowany w zakładce WETI: https://enauczanie.pg.edu.pl/moodle/course/view.php?id=10126 Na...
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[IMa] Electrical methods of materials and structures characterization
Kursy Online{mlang pl} Dyscyplina: inżynieria materiałowa Zajęcia fakultatywne dla doktorantów I i II roku Prowadzący: prof. dr hab. inż. Piotr Jasiński Liczba godzin: 15 Forma zajęć: wykład/seminarium {mlang} {mlang en} Discipline: materials engineering Facultative course for 1st and 2nd year PhD students Academic teachers: prof. dr hab. inż. Piotr Jasiński Total hours of training: 15 teaching hours Course type: lecture/seminar {mlang}
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Numerical methods in heat and fluid flow, PG_00057408
Kursy OnlineReiteration of information on thermodynamic cycles and extension of information on their modelling using commercial software tools. Presentation of balances, constitutive equations, how to set up conditions in CFD type codes. Equipment regulation and control in the context of heat exchangers.Presentation of the computational capabilities of the CFD calculation code ANSYS Fluent. Mass, momentum and energy balances in 0D and 3D terms.Analysis...
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Scientific methods of computer data analysis and presentation
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Comparison of the characteristics of journal bearings determined according to ISO 7902:2020 and obtained by other methods
PublikacjaThe article presents selected characteristics of journal bearings calculated with the use of various methods and compared to the results obtained with application of the basic bearing characteristics calculation procedure, as described in the ISO 7902:2020 standard. Additionally, the presented calculation results were compared with the parameters measured during experimental tests of the sliding bearings, working under loads and...
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Comparison of noise reduction methods in radiometric correlation measurements of two-phase liquid-gas flows
PublikacjaTwo-phase liquid-gas flows occur frequently in the mining, energy, chemical, and petrochemical industries. One of non-contact methods used to analyse these flows is the gamma ray absorption method. However, the signals received from radiation detectors contain a significant stochastic noise, which makes them difficult to analyse. The article describes four methods of noise reduction in cross-correlation measurements of water-air...
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Application of Multiplicative Drift Correction and Component Correction methods on simulated gas sensor array responses
PublikacjaSensor response drift is one of the most challenging problems in gas-analyzing systems. Such systems, commonly called electronic noses, are expected to be reliable and reproducible in the long term. Due to the drift phenomena, electronic noses usability is limited to the relatively short period of time, and frequent recalibrations of device are required. Because it is very hard to fabricate sensors without drift, this phenomenon...
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Comparison of various flow maldistribution quantification methods in mini heat exchangers
PublikacjaThe aim of study is to compare various flow maldistribution quantification methods, using velocity, mass flow rate, pressure, and temperature. An experimentally validated numerical study has been prepared and a heat exchanger with 34 semi-circular channels with a diameter of 3.1 mm has been tested. The minichannels were heated from the bottom with a heat flux of 50, 60, 70, and 80 kW/m2. The cases for various inlet velocities of...
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Comprehensive analysis of low-temperature methods for reclaiming of ground tire rubber
PublikacjaManagement of waste tires has become an important topic for decades. The lack of an effective method to manage the materials as mentioned above leads to illegal landfills. This problematic waste can be divided into two main categories depending on the physical condition of the waste: (i) partially used tires; (ii) end-of-life tires. While the first group can be reused or retreaded, the second group requires special measures to...
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Conceptual methods of old-timer vehicles inspection tests based on current technical inspection methods at vehicle inspection stations
PublikacjaPrzedstawiono koncepcję metodyki okresowych badań technicznych pojazdów zabytkowych w stacjach kontroli pojazdów.
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Elastic waves in the railroad track substructures and its surroundings analyzed with non-classical operational methods
PublikacjaWe analyze the propagation of the waves generated by the rolling stock and the interaction of those waves on the medium and its surroundings. We use non-classical operational methods for monitoring construction of the railway infrastructure and for noise damping.
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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Functionalized polypyrroles. New molecular materials for electrocatalysis and related applications
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FT-IR studies of molecular interactions in formamide-methanol mixtures
PublikacjaTechniką ATR zmierzono widma FT-IR roztworów metanolu(MeOH) i formamidu(FA) w całym zakresie ich składu. Przeprowadzono analizę faktorową widm, która wykazała obecność dwóch kompleksów molekularnych matanolu z formamidem. Na podstawie profilów stężeniowych indywiduów absorbujących wyznaczono średni skład kompleksów w zależności od składu mieszaniny. Przeprowadzono również analizę pasma CO formamidu metodą widm różnicowych. Wyniki...
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Molecular Modeling of Interaction of the Vasopressin Analogs with Vasopressin and Oxytocin Receptors
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PF5 and PCl5 interacting with water – Comparative study at the molecular level
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Molecular Dynamics of a Vasopressin V2 Receptor in a Phospholipid Bilayer Membrane
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Current rectification in molecular junctions produced by local potential fields
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Molecular-dynamics simulation of clustering processes in sea-ice floes
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Molecular Determinants of Proton Transfer in ATP Synthase FO Complex
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Raman spectroscopy analysis of molecular configuration forms of the macular xanthophylls
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Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes
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Parkinson’s disease: Etiopathogenesis, molecular basis and potential treatment opportunities
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Slow growth conservation and molecular characterization of Deutzia scabra Thunb
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