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Cadmium tri-tert-butoxysilanethiolates. Structural and spectroscopic models of metal sites in proteins.
PublicationW publikacji opisano syntezy i struktury dla dwóch heteroleptycznych kompleksów kadmu z rdzeniem CdS2NO2 i CdS2N2. Bis(tri-tert-butoksysilanotiolato)(1-metyloimidazol)kadmu(II) oraz bis(tri-tert-butoksysilanotiolato)bis(1-metyloimidazol)kadmu(II) współistnieją w roztworze chloroformu przy różnych stężeniach Bis(tri-tert-butoksysilanotiolanu) kadmu(II) i 1 metyloimidazolu. Rotzwór ten został scharakteryzowany za pomocą analizy spektralnej...
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The operational method of filling information gaps in satellite imagery using numerical models
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Assessment of the effect of vegetation on the transition of the flood wave using hydraulic 2D models
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Comparison of the Toxicity of Pristine Graphene and Graphene Oxide, Using Four Biological Models
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Simplifying biochemical tumorous bone remodeling models through variable order derivatives
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Application of Spatial Models in Making Location Decisions of Wind Power Plant in Poland
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A single and triple-objective mathematical programming models for assignment of services in a healthcare institution
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Cadmium tri-tert-butoxysilanethiolates: Structural and spectroscopic models of metal sites in proteins
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THE PULSE DESCRIPTORS IN SENSITIVITY STUDIES OF NO-SORPTION AND SINGLE-SORPTION COLUMN TRANSPORT MODELS
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Making virtual species less virtual by reverse engineering of spatiotemporal ecological models
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Sensitivity of binomial N‐mixture models to overdispersion: The importance of assessing model fit
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Proteins Structure Models in the Evaluation of Novel Variant (C.472_477del) in the MOCS2 Gene
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Estimation of the excitation variances of speech and noise AR-models for enhanced speech coding
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“Silver Economy” Models in the European Union in the Comparative Approach: An Attempt to Introduce Discussion
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublicationW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...
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Inverse surrogate models for fast geometry scaling of miniaturized dual-band couplers
PublicationRe-design of microwave structures for various sets of performance specifications is a challenging task, particularly for compact components where considerable electromagnetic (EM) cross-couplings make the relationships between geometry parameters and the structure responses complex. Here, we address geometry scaling of miniaturized dual-band couplers by means of inverse surrogate modeling. Our approach allows for fast estimation...
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Structural and Temporal Topic Models of Feedbacks on Service Quality – A Path to Theory Development?
PublicationThere is growing interest in applying computational methods in analysing large amount of data without sacrificing rigour in Information Systems research. In this paper, we demonstrate how the use of structural and temporal topic modelling can be employed to produce insights of both theoretical and practical importance from the analysis of textual comments on the quality of services in hospitals. As a first step, we revealed the...
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Fast Antenna Optimization Using Gradient Monitoring and Variable-Fidelity EM Models
PublicationAccelerated simulation-driven design optimization of antenna structures is proposed. Variable-fidelity electromagnetic (EM) analysis is used as well as the trust-region framework with limited sensitivity updates. The latter are controlled by monitoring the changes of the antenna response gradients. Our methodology is verified using three compact wideband antennas. Comprehensive benchmarking demonstrates its superiority over both...
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublicationOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Environmentally Oriented Models and Methods for the Evaluation of Drug x Drug Interaction Effects
PublicationThis detailed review compares known and widely used methods for drug interaction estimation, some of which now have historical significance. Pharmaceutical application has been noted as far back as several thousand years ago. Relatively late in the 20th century, however, researchers became aware that their fate and metabolism, which still remain a great challenge for environmental analysts and risk assessors. For the patient’s...
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Accuracy Investigations of Turbine Blading Neural Models Applied to Thermal and Flow Diagnostics
PublicationPossibility of replacing computional fluid dynamics simulations by a neural model for fluid flow and thermal diagnostics of steam turbines is investigated. Results of calculations of velocity magnitude of steam for 3D model of the stator of steam turbine is presented.
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Influence of datasets decreased by applying reduction and generation methods on Digital Terrain Models
PublicationThe 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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Specificity of Infant Digestive Conditions: Some Clues for Developing Relevant In Vitro Models
PublicationDigestion of nutrients is an essential function of the newborn infant gut to allow growth and development and understanding infant digestive function is essential to optimize nutrition and oral drug delivery. Ethical considerations prohibit invasive in vivo trials and as a consequence in vitro assays are often conducted. However, the choice of in vitro model parameters are not supported by an exhaustive analysis of the literature...
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The analysis of the accuracy of spatial models using photogrammetric software: Agisoft Photoscan and Pix4D
PublicationThis article was created as a result of research conducted within the master thesis. The purpose of the measurements was to analyze the accuracy of the positioning of points by computer programs. Selected software was a specialized computer software dedicated to photogrammetric work. For comparative purposes it was decided to use tools with similar functionality. As the basic parameters that affect the results selected the resolution...
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models.
PublicationOpisano proces kondensacji pary wodnej w ujĘciu fenomenologicznymi dynamiczno-molekularnym. Wczesne fazy wzrostu klastra opisano w ramach klasycznej teorii Hertza-Knudsena. Obszernie przedstawiono wyniki symulacji dynamiczno-molekularnych zjawiska kondensacji pary wodnej z jednorodnej fazy gazowej (przebieg powstawania małych klastrów H2O i szybkość wzrostu klastrów ponadkrytycznych).
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Implementation of didactic simulation models in Open Source and SCORM compliant LMS systems.
PublicationModele symulacyjne są cenną pomocą w procesie dydaktycznym. Ich zastosowanie w systemach komputerowego wspomagania nauczania znacząco podnosi ich efektywność oraz pozwala na przeprowadzanie wirtualnych ćwiczeń laboratoryjnych (na przykład podczas nauczania na odległość). Niestety stosowane obecnie systemy LMS (Lerning Management System) nie są zadowalająco przystosowane do obsługi symulacyjnej zawartości dydaktycznej. W artykule...
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Real and virtual enviromnents in environmental engineering: approaches, models, technologies, and critical issues.
PublicationW pracy scharakteryzowano zagadnienia związane z projektowaniem systemów uwzględniającym ochronę środowiska.
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Optimal input design using sensitivity criterion for parametric identification of pharmacokinetic models
PublicationPrzedstawiono identyfikację parametryczną kompartmentowych modeli SISO zmiennych stanu systemów farmakokinetycznych. Struktura modelu formułowana jest na podstawie wiedzy a priori. Początkowe estymaty parametrów obliczane są w oparciu o pomiary zgromadzone w eksperymencie intuicyjnym. Na ich podstawie projektowane jest pobudzenie optymalne, które zapewnia najlepszą dokładność estymat parametrów. Przedstawiono optymalizację czułościową...
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Structural properties of water: Comparison of the SPC, SPCE, TIP4P and TIP5P models of water
PublicationDla czterech najpopularniejszych modeli wody obliczono wartości entropii absolutnej ciekłej wody w temperaturze 298 K, średnią liczbę wiązań wodorowych tworzonych przez cząsteczkę wody, średni czas życia wiązania wodorowego, średni czas życia cząsteczki wody w stanie związanym (gdy tworzy ona co najmniej jedno wiązanie wodorowe) oraz średnią energię wiązania wodorowego. Otrzymane rezultaty porównano z eksperymentem. Uzyskane wyniki...
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Compatible DC and small-signal MOSFET models for radio and microwave frequency simulation
PublicationZaprezentowano nowy model stałoprądowy tranzystora MOS i kompatybilny z nim uogólniony nie-quasi-statyczny model małosygnałowy. Model stałoprądowy został eksperymentalnie zweryfikowany dla tranzystorów MOS o długości kanału od 75 nm do kilkunastu mikrometrów, a model małosygnałowy od zera herców do 30 GHz.
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Iterative‐recursive estimation of parameters of regression models with resistance to outliers on practical examples
PublicationHere, identification of processes and systems in the sense of the least sum of absolute values is taken into consideration. The respective absolute value estimators are recognised as exceptionally insensitive to large measurement faults or other defects in the processed data, whereas the classical least squares procedure appears to be completely impractical for processing the data contaminated with such parasitic distortions. Since...
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Testing interaction models by using x-ray absorption spectroscopy: solid Pb
PublicationPraca prezentuje zastosowanie metody EXAFS jako narzędzia do testowania potencjałów oddziaływań międzyatomowych używanych w symulacjach dynamiczno-molekularnych na przykładzie czystego ołowiu w fazie stałej (od temperatury pokojowej do temperatury topnienia). Testowaniu poddano następujące potencjały: dwuciałowy empiryczny potencjał Dzugutova, Larssona i Ebbsjo (DLE), potencjał ciasnego wiązania (TB) i potencjał w modelu osadzonego...
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A concept of application of the technical state change models of devices inship operation process
PublicationPrzedstawiono warunki zastosowania modeli zmian stanu technicznego urządzeń siłowni okrętowej w trakcie eksploatacji statku, koncepcję prognozowania zasobu godzin pracy urządzeń w zmiennych warunkach pływania oraz planowania obsług profilaktycznych.
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Modelling of strain localization in quasi-brittle materials with non-local continuum models
PublicationW artykule przedstawiono wyniki numerycznej lokalizacji odkształceń w elementach betonowych przy zastosowaniu modelu sprężysto-plastycznego i modelu z degradacja sztywności. Do opisu rys, model rozszerzono o składniki nielokalne. Obliczenia wykonano dla prostych problemów brzegowych
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Switched-capacitor DC-DC converters in arbitrary switching mode - topologically derived resistive models based on incremental graph approach.
PublicationIn the preceding paper we reviewed some of modeling approaches aimed at systematic formulation and solution of switched capacitor DC-DC converters. In our review, special attention was paid to computationally efficient and mathematically elegant methods. In so doing we had tried to demonstrate the virtues of unified Incremental Graph (IG) approach. Incremental Graph is, in concept, a tool originally created for analysis and synthesis...
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A geophysical, geochemical and microbiological study of a newly discovered pockmark with active gas seepage and submarine groundwater discharge (MET1-BH, central Gulf of Gdańsk, southern Baltic Sea)
PublicationHigh-resolution bathymetric data were collected with a multi-beam echosounder in the southern part of the Baltic Sea (region MET1, Gulf of Gdańsk) revealing the presence of a 10 m deep and 50 m in diameter pockmark (MET1-BH) on the sea bottom (78.7 m). To date, no such structures have been observed to reach this size in the Baltic Sea. The salinity of the near-bottom water in the pockmark was about 2 PSU (about 31.22 mmol/l...
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A New Expression System Based on Psychrotolerant Debaryomyces macquariensis Yeast and Its Application to the Production of Cold-Active β-D-Galactosidase from Paracoccus sp. 32d
PublicationYeasts provide attractive host/vector systems for heterologous gene expression. The currently used yeast-based expression platforms include mesophilic and thermotolerant species. A eukaryotic expression system working at low temperatures could be particularly useful for the production of thermolabile proteins and proteins that tend to form insoluble aggregates. For this purpose, an expression system based on an Antarctic psychrotolerant...
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Photoelectrochemically Active N‐Adsorbing Ultrathin TiO2 Layers for Water‐Splitting Applications Prepared by Pyrolysis of Oleic Acid on Iron Oxide Nanoparticle Surfaces under Nitrogen Environment
PublicationHighly performing photocatalytic surfaces are nowadays highly desirable in energy fields, mainly due to their applicability as photo water‐splitting electrodes. One of the current challenges in this field is the production of highly controllable and efficient photoactive surfaces on many substrates. Atomic layer deposition has allowed the deposition of photoactive TiO2 layers over wide range of materials and surfaces. However,...
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Fast EM-Driven Nature-Inspired Optimization of Antenna Input Characteristics Using Response Features and Variable-Resolution Simulation Models
PublicationUtilization of optimization technique is a must in the design of contemporary antenna systems. Often, global search methods are necessary, which are associated with high computational costs when conducted at the level of full-wave electromagnetic (EM) models. In this study, we introduce an innovative method for globally optimizing reflection responses of multi-band antennas. Our approach uses surrogates constructed based on response...
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Microscopic and Spectroscopic Imaging and Thermal Analysis of Acrylates, Silicones and Active Pharmaceutical Ingredients in Adhesive Transdermal Patches
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O-43 Data-driven selection of active iEEG channels during verbal memory task performance
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Thyroid peroxidase as a dual active site enzyme: Focus on biosynthesis, hormonogenesis and thyroid disorders of autoimmunity and cancer
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Short-term changes in thickness and temperature of the active layer in summer in the Kaffiøyra region, NW Spitsbergen, Svalbard
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Pharmacological characterization and binding modes of novel racemic and optically active phenylalanine-based antagonists of AMPA receptors
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Possibility of New Active Substrates (ASs) to Be Used to Prevent the Migration of Heavy Metals to the Soil and Water Environments
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A Concept of Innovation Hub for Smart Applications, Enabling Pro-active Approach to Urban Policy and Planning Processes
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Active Double-Layered Films Enriched with AgNPs in Great Water Dock Root and Pu-Erh Extracts
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Integration of Active Clothing with a Personal Cooling System within the NGIoT Architecture for the Improved Comfort of Construction Workers
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A Single Mutation in a Tunnel to the Active Site Changes the Mechanism and Kinetics of Product Release in Haloalkane Dehalogenase LinB*
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Synthesis and photoelectrochemical behaviour of hydrogenated titania nanotubes modified with conducting polymer infiltrated by redox active network
PublicationIn this work, we show preparation of ordered inorganic-organic composite electrode material where hydrogenated titania nanotubes H-TiO2 with tubularly developed surface modified with poly(3,4-ethylenedioxythiophene) matrix permeated by Prussian Blue (PB) inorganic redox network in order to reach highly photoactive heterojunction. The polymer deposition was realized via two subsequent processes covering: i) potentiostatic polymerization...