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Theoretical calculation of pKas of phosphoric (V) acidin the polarisable continuum and cluster-continuum models
PublicationW pracy oceniono dokładność modelu polaryzowalnego kontinuum (PCM) i mieszanego modelu klaster-kontinuum do przewidywania wartości trzech kolejnych stałych dysocjacji kwasu fosforowego (V). Obliczenia PCM na poziomie MP2/6-31+G(d,p) odtwarzają wartość pierwszego pKa z rozsądną niepewnością, jednak wartości kolejnych pKa obarczone są bardzo dużym błędem, nawet po podniesieniu poziomu teorii do metody zespolonej G3B3. Dopiero obliczenia...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Aqueous solutions of NMA, Na2HPO4 , and NaH2PO4 as models for interaction studies in phosphate–protein systems
PublicationPhosphate buffers are essential for many areas of studies. However, their influence on buffered systems is often ignored. The phosphate salts can interact with biologically important macromolecules (e.g. proteins) and stabilize or destabilize them. With our research, we want to answer question what kind of interactions, if any, occur between phosphate ions and a protein backbone model — N-methylacetamide (NMA). ATR-FTIR spectroscopy...
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Fast Multi-Objective Aerodynamic Optimization Using Sequential Domain Patching and Multifidelity Models
PublicationExploration of design tradeoffs for aerodynamic surfaces requires solving of multi-objective optimization (MOO) problems. The major bottleneck here is the time-consuming evaluations of the computational fluid dynamics (CFD) model used to capture the nonlinear physics involved in designing aerodynamic surfaces. This, in conjunction with a large number of simulations necessary to yield a set of designs representing the best possible...
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Macro Models of Casualties in Road Transport / Modelowanie Strat Osobowych W Transporcie Drogowym
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he Potential of German Administrative Models for the Resolution of Public-Private Partnership Barriers in Poland
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Semi-Markow Processes as Models of Devices´ Operating Process of Ship Pro-pulsion System
PublicationReferat zawiera formalny opis procesu eksploatacji urządzeń.
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Design and experimental evaluation of pod propulsor models for a large self-propelled ship model.
PublicationArtykuł przedstawia serię hydrodynamicznych badań swobodnych dwóch modeli pędnika podowego. Pędniki zostały zaprojektowane i zbudowane specjalnie dla dwóch wersji dużego modelu okrętu z własnym napędem, przeznaczonego do eksperymentów manewrowych. Jedna wersja jest napędzana pojedyńczym pędnikiem, druga jest wyposażona w dwa pędniki. Oba modele podów były badane w kanale obiegowym. Celem eksperymentu były pomiary sześciu składowych...
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Results and models for Novel high frequency components with non-conventional shape employing smooth geometry deformation of 3D solid with FFD
Open Research DataThe project aims to investigate the possibility of developing and manufacturing novel high frequency devices having non-standard geometries, allowing for improved electromagnetic performance over what is achievable with currently available design tools. The non-conventional geometry will be obtained by employing the free-form shape deformation technique...
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Mathematical Models and Computer Simulations
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Results of modeling of pharmaceuticals mixtures toxicity with deviation ratio and best-fit functions models using Aliivibrio fischeri bacterium as model organism
Open Research DataThe research was concerned with verifying the impact of mixtures of nine pharmaceuticals against a selected organism, i.e., the bacterium Aliivibrio fischeri. A. fisheri is used as a model organism in the monitoring of acute toxicity in environmental and reference samples in Microtox® systems. Tested pharmaceuticals, namely: diclofenac (sodium salt),...
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Degradation of cefadroxil drug by newly designed solar light responsive alcoholic template-based lanthanum ferrite nanoparticles
PublicationIn this work, lanthanum ferrite nanoparticles were synthesized via a simple co-precipitation method. Two different templates, namely sorbitol and mannitol, were used in this synthesis to tune the optical, structural, morphological, and photocatalytic properties of lanthanum ferrite. The synthesized lanthanum ferrite-sorbitol (LFOCo-So) and lanthanum ferrite-mannitol (LFOCo-Mo) were investigated through Ultraviolet–Visible (UV–Vis),...
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Mono- and bimetallic nanoparticles decorated KTaO 3 photocatalysts with improved Vis and UV–Vis light activity
PublicationNew mono- and bimetallic nanoparticle-decorated perovskite-type KTaO3 photocatalysts were successfully synthesized by hydrothermal reaction followed by photodeposition of MNPs/BNPs. The effect of noble metal type, amount of metal precursor as well as photoreduction method on the physicochemical and photocatalytic properties of MNPs- and BNPs-KTaO3 have been investigated. Photocatalytic activity under Vis light irradiation was estimated...
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Monometallic nanoparticles decorated and rare earth ions doped KTaO3/K2Ta2O6 photocatalysts with enhanced pollutant decomposition and improved H2 generation
PublicationNew, monometallic nanoparticles (MNPs) decorated surface and rare earth (RE) ions doped lattice of perovskite-type (KTaO3)/pyrochlore-type (K2Ta2O6) photocatalysts were successfully prepared by facile hydrothermal incorporation of RE ions into KTaO3/K2Ta2O6 lattices followed by photodeposition of MNPs. The impact of noble metal type (MNPs = Au, Pt, Rh) and rare earth dopant type (RE = Er, Pr) on the physicochemical properties correlated...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Australian World Wide Web Conference
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International World Wide Web Conference
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Cardiovascular and Perceptual Responses to Resistance Training with Practical Blood Flow Restriction Induced by a Non-Elastic Band vs. Pneumatic Cuff: A Crossover Randomized Study
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Improvement of the Water Resistance of a Narrow-Band Red-Emitting SrLiAl3N4:Eu2+Phosphor Synthesized under High Isostatic Pressure through Coating with an Organosilica Layer
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Comparative in vitro studies on liposomal formulations of amphotericin Band its derivative, N-methyl-N-D-fructosyl amphotericin B methyl ester (MFAME)
PublicationMFAME, ester metylowy N-metylo-N-D-fruktozylo amfoterycyny B jest półsyntetyczną pochodną antybiotyku przeciwgrzybowego amfoterycyny B (AMB). W przeciwieństwie do wyjściowego antybiotyku pochodna ta jest nietoksyczna dla komórek zwierzęcych oraz tworzy rozpuszczalne sole rozpuszczalne w wodzie. Przeprowadzono badania porównawcze aktywności biologicznej wolnego antybiotyku i wolnej pochodnej oraz ich preparatów liposomalnych. Stosowano...
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Specjalistyczne laboratorium techniki wysokich napięć. Materiały pomocnicze.P. Gdań. [online] [dostęp 30.12.2003]. Dostępny w World Wide Web: http:// www.ely.pg.gda.pl/wnae/index1.html) [84 s.]
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Buried Object Characterization Using Ground Penetrating Radar Assisted by Data-Driven Surrogate-Models
PublicationThis work addresses artificial-intelligence-based buried object characterization using 3-D full-wave electromagnetic simulations of a ground penetrating radar (GPR). The task is to characterize cylindrical shape, perfectly electric conductor (PEC) object buried in various dispersive soil media, and in different positions. The main contributions of this work are (i) development of a fast and accurate data driven surrogate modeling...
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Path integrals formulations leading to propagator evaluation for coupled linear physics in large geometric models
PublicationReformulating linear physics using second kind Fredholm equations is very standard practice. One of the straightforward consequences is that the resulting integrals can be expanded (when the Neumann expansion converges) and probabilized, leading to path statistics and Monte Carlo estimations. An essential feature of these algorithms is that they also allow to estimate propagators for all types of sources, including initial conditions....
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Comparison of Language Models Trained on Written Texts and Speech Transcripts in the Context of Automatic Speech Recognition
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Applying Hidden Markov Models to Visual Activity Analysis for Simple Digital Control Panel Operations
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Application of hidden Markov models to eye tracking data analysis of visual quality inspection operations
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Application of the Msplitmethod for filtering airborne laser scanning data-sets to estimate digital terrain models
PublicationALS point cloud filtering involves the separation of observations representing the physical terrain surface from those representing terrain details. A digital terrain model (DTM) is created from a subset of points representing the ground surface. The accuracy of the generated DTM is influenced by several factors, including the survey method used, the accuracy of the source data, the applied DTM generation algorithm, and the survey...
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Cost-Efficient EM-Driven Size Reduction of Antenna Structures by Multi-Fidelity Simulation Models
PublicationDesign of antenna systems for emerging application areas such as the Internet of Things (IoT), fifth generation wireless communications (5G), or remote sensing, is a challenging endeavor. In addition to meeting stringent performance specifications concerning electrical and field properties, the structure has to maintain small physical dimensions. The latter normally requires searching for trade-off solutions because miniaturization...
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Construction and Validation of Simulation Models of Samples Made from 316L Steel by Applying Additive Technique
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Matrix Strengthening the Identification of Observations with Split Functional Models in the Squared Msplit(q) Estimation Process
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Aktywne modele kształtu i ich biometryczne zastosowania = Active shape models and their biometric applications
PublicationAktywne modele kształtu zostały zaproponowane w latach 90 XX wieku jako uniwersalna metoda lokalizowania i rozpoznawania obiektów. Koncepcje teoretyczne, na których metoda ta została oparta, wydają się obiecujące, jednak ich praktyczna wartość nie została jeszcze do końca zweryfikowana. Autorzy niniejszej pracy przeprowadzili testy aktywnych modeli kształtu za pomocą własnego systemu lokalizacji obiektów, szczególną uwagę zwracając...
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Hydrophobic hydration and pairwise hydrophobic interaction of Lennard-Jones and Mie particles in different water models
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Serum trace elements in animal models and human depression: Part III. Magnesium. Relationship with copper
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Effects of different hydraulic models on predicting longitudinal profiles of reactive pollutants in activated sludge reactors
PublicationW pracy przedstawiono wpływ dyspersji na prognozowanie stężeń azotu amonowego w komorach osadu czynnego w oczyszczalni ścieków Gdańsk-Wschód. W tym celu wykorzystano jednowymiarowe równanie adwekcji-dyspersji z członem źródłowym (szybkością nitryfikacji). Współczynnik dyspersji został wyznaczony na podstawie pomiarów znacznika fluoroscencyjnego. Model został zweryfikowany w oparciu o pomiary stężeń azotu w 6 sekcjach komory tlenowej...
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The Algorithm of Modelling and Analysis of Latent Semantic Relations: Linear Algebra vs. Probabilistic Topic Models
PublicationThis paper presents the algorithm of modelling and analysis of Latent Semantic Relations inside the argumentative type of documents collection. The novelty of the algorithm consists in using a systematic approach: in the combination of the probabilistic Latent Dirichlet Allocation (LDA) and Linear Algebra based Latent Semantic Analysis (LSA) methods; in considering each document as a complex of topics, defined on the basis of separate...
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Fast Multi-Objective Antenna Optimization Using Sequential Patching and Variable-Fidelity EM Models
PublicationIn this work, a technique for fast multi-objective design optimization of antenna structures is presented. In our approach, the initial approximation of the Pareto set representing the best possible trade-offs between conflicting design objectives is obtained by means of sequential patching of the design space. The latter is a stencil-based search that aims at creating a path that connects the extreme Pareto-optimal designs (obtained...
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Conception of selecting reliability models for taking operating decisionsrelated to sea-going ship´s systems
PublicationPrzedstawiono możliwości podejmowania decyzji dotyczących sytuacji, gdy decydent dysponuje informacją aprioryczną o stanie technicznym urządzeń, na przykład uzyskaną z badań niezawodności urządzeń niezbędnych do wykonania zadania, wyrażoną w formie prawdopodobieństwa. Do opracowania modelu umożliwiającego podejmowanie takich decyzji eksploatacyjnych wykorzystano elementy bayesowskiej statystycznej teorii decyzji.
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Creating neural models using an adaptive algorithm for optimal size of neural network and training set.
PublicationZaprezentowano adaptacyjny algorytm generujący modele neuronowe liniowych układów mikrofalowych, zdolny do oszacowania optymalnego rozmiaru zbiory uczącego i sieci neuronowej. Stworzono kilka modeli nieciągłości falowodowych i mokropaskowych, a następnie zweryfikowano ich poprawność porównując wyniki analiz metodą dopasowania rodzajów i metodą momentów filtrów pasmowo-przepustowych.
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Discrete-time predictive control design based on overparameterized delay-plant models and identified cancellation order.
PublicationPraca dotyczy uogólnionego sterowania predykcyjnego (GPC) obiektami opisanymi dyskretnoczasowymi modelami CARIMA z uproszczeniami (nieminimalnych, przeparametryzowanych) oraz o niezerowym opóźnieniu transportowym. Optymalne sterowanie predykcyjne wyznacza się na podstawie minimalnowariancyjnego oszacowania przyszłej odpowiedzi sterowanego obiektu. Poprzez analizę warunków rozwiązywalności zadania syntezy sterownika GPC, sformułowano...
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Initializing the EM Algorithm for Univariate Gaussian, Multi-Component, Heteroscedastic Mixture Models by Dynamic Programming Partitions
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Application of Msplit method for filtering airborne laser scanning data sets to estimate digital terrain models
PublicationALS point cloud filtering involves the separation of observations representing the physical terrain surface from those representing terrain details. A digital terrain model (DTM) is created from a subset of points representing the ground surface. The accuracy of the generated DTM is influenced by several factors, including the survey method used, the accuracy of the source data, the applied DTM generation algorithm, and the survey...
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Data-driven models for fault detection using kernel PCA: A water distribution system case study
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Transcriptome Changes in Three Brain Regions during Chronic Lithium Administration in the Rat Models of Mania and Depression
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Effects of scatter plot initial solutions on regular grid facility layout algorithms in typical production models
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Data-driven models for fault detection using kernel pca:a water distribution system case study
PublicationKernel Principal Component Analysis (KPCA), an example of machine learning, can be considered a non-linear extension of the PCA method. While various applications of KPCA are known, this paper explores the possibility to use it for building a data-driven model of a non-linear system-the water distribution system of the Chojnice town (Poland). This model is utilised for fault detection with the emphasis on water leakage detection....
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Improving Accuracy of Respiratory Rate Estimation by Restoring High Resolution Features With Transformers and Recursive Convolutional Models
PublicationNon-contact evaluation of vital signs has been becoming increasingly important, especially in light of the COVID- 19 pandemic, which is causing the whole world to examine people’s interactions in public places at a scale never seen before. However, evaluating one’s vital signs can be a relatively complex procedure, which requires both time and physical contact between examiner and examinee. These re- quirements limit the number...
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3D Morphable Models Application for Expanding Face Database Limited to Single Frontal Face Per Person
Publication1. Zaprezentowany materiał dotyczył badań nad rozszerzeniem dysponowanej bazy wzorców wizerunków twarzy, o dodatkowe wzorce z wariacją w ustawieniu. Dodatkowe wzorce były usyskiwane poprzez przejście z wizerunku twarzy 2D na model 3D, zasymulowanie zadanego ustawienia i powrót do dziedziny 2D (poprzez rzutowanie 3D->2D). W fazie konstrukcji modelu 3D, z wizerunku 2D była ściągana zarówno tekstura twarzy jak i siatka punktów charakterystycznych....
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Three-Dimensional Models of Liver Vessels for Navigation during Laparotomic Attenuation of Intrahepatic Portosystemic Shunt in Dogs
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Selected mice models based on APP, MAPT and presenilin gene mutations in research on the pathogenesis of Alzheimer’s disease
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Flavonoids as tyrosinase inhibitors in in silico and in vitro models: basic framework of SAR using a statistical modelling approach
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