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Wyniki wyszukiwania dla: IN SILICO METABOLISM PREDICTION
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Genre-Based Music Language Modeling with Latent Hierarchical Pitman-Yor Process Allocation
PublikacjaIn this work we present a new Bayesian topic model: latent hierarchical Pitman-Yor process allocation (LHPYA), which uses hierarchical Pitman-Yor pr ocess priors for both word and topic distributions, and generalizes a few of the existing topic models, including the latent Dirichlet allocation (LDA), the bi- gram topic model and the hierarchical Pitman-Yor topic model. Using such priors allows for integration of -grams with a topic model,...
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Simplified, multiregional fuzzy model of a nuclear power plant steam turbine
PublikacjaPower systems, including steam turbines and synchronous generators, are complex nonlinear systems with parameters varying over time. The paper presents the developed simplified, multiregional fuzzy model of the steam turbine of a nuclear power plant turbine generator set and compares the results with a full nonlinear model and commonly used linear input-output model of a steam turbine. The proposed model consist of series of linear...
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Eulerian motion magnification applied to structural health monitoring of wind turbines
PublikacjaSeveral types of defects may occur in wind turbines, as physical damage of blades or gearbox malfunction. A wind farm monitoring and damage prediction system is built to observe abnormal vibrations of elements of wind turbine: blades, nacelle, and tower. Contactless methods are developed which do not require turbine stopping. In this work, structural health monitoring of a wind turbine is evaluated using a conversion from the captured...
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Enhanced uniform data sampling for constrained data‐driven modeling of antenna input characteristics
PublikacjaData-driven surrogates are the most popular replacement models utilized in many fields of engineering and science, including design of microwave and antenna structures. The primary practical issue is a curse of dimensionality which limits the number of independent parameters that can be accounted for in the modelling process. Recently, a performance-driven modelling technique has been proposed where the constrained domain of the...
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Modelling of Abdominal Wall Under Uncertainty of Material Properties
PublikacjaThe paper concerns abdominal wall modelling. The accurate prediction and simulation of abdominal wall mechanics are important in the context of optimization of ventral hernia repair. The shell Finite Element model is considered, as the one which can be used in patient-specific approach due to relatively easy geometry generation. However, there are uncertainties in this issue, e.g. related to mechanical properties since the properties...
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublikacjaIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Free Convection Heat Transfer from Horizontal Cylinders
PublikacjaThe results of experimental investigation of free convection heat transfer in a rectangular container are presented. The ability of the commonly accepted correlation equations to reproduce present experimental data was tested as well. It was assumed that the examined geometry fulfils the requirement of no-interaction between heated cylinder and bounded surfaces. In order to check this assumption recently published correlation equations...
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Towards an Understanding of the Stability Assessment of Floating Buildings
PublikacjaOne of the most important aspects of the design of floating facilities such as ships, floating offshore structures or floating houses is stability. Its impact on both general safety and operational aspects renders it a fundamental consideration already in preliminary design stages. Usually, the concept of sufficient stability of floating buildings is associated with the ability to keep an allowed heel angle and residual freeboard,...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublikacjaAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Nutritional and Pharmaceutical Properties of Bioactive Compounds in Organic and Conventional Growing Kiwifruit
PublikacjaThe bioactivity of two kiwifruit’s cultivars growing under organic and conventional conditions were studied and compared. The bioactive compounds were extracted with water and ethanol using similar conditions which are applied in pharmaceutical applications and for daily fruit consumption such as tea drink. Antioxidant radical scavenging assays [ferric-reducing/antioxidant power (FRAP); cupric reducing antioxidant capacity (CUPRAC);...
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Identification and characterization of single-stranded DNA-binding protein from the facultative psychrophilic bacteria Pseudoalteromonas haloplanktis
PublikacjaSingle-stranded DNA-binding protein (SSB) plays an important role in DNA metabolism such as DNAreplication, repair, and recombination, and is essential for cell survival. This study reports on the ssb-likegene cloning, gene expression and characterization of a single-stranded DNA-binding protein of Pseudoal-teromonas haloplanktis (PhaSSB) and is the first report of such a protein from psychrophilic microorganism.PhaSSB possesses...
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Modulation of UDP-glucuronidation by acridinone antitumor agents C-1305 and C-1311 in HepG2 and HT29 cell lines, despite slight impact in noncellular systems.
PublikacjaBackground Among the studied antitumor acridinone derivatives developed in our laboratory, 5-dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) and 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) exhibited cytotoxic and antitumor properties against several cancer types and were selected to be evaluated in preclinical and early-phase clinical trials. In the present work, we investigated the impact of C-1305...
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Drug-drug interaction potential of antitumor acridine agent C-1748: The substrate of UDP-glucuronosyltransferases 2B7, 2B17 and the inhibitor of 1A9 and 2B7
PublikacjaBackground The compound 9-(2′-hydroxyethylamino)-4-methyl-1-nitroacridine (C-1748), the promising antitumor agent developed in our laboratory was determined to undergo phase I metabolic pathways. The present studies aimed to know its biotransformation with phase II enzymes – UDP-glucuronosyltransferases (UGTs) and its potential to be engaged in drug-drug interactions arising from the modulation of UGT activity. Methods UGT-mediated...
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Novel insights into conjugation of antitumor-active unsymmetrical bisacridine C-2028 with glutathione: characteristics of non-enzymatic and glutathione S-transferase-mediated reactions
PublikacjaUnsymmetrical bisacridines (UAs) are a novel potent class of antitumor-active therapeutics. A significant route of phase II drug metabolism is conjugation with glutathione (GSH), which can be non-enzymatic and/or catalyzed by GSH-dependent enzymes. The aim of this work was to investigate the GSH-mediated metabolic pathway of a representative UA, C 2028. GSH supplemented incubations of C-2028 with rat, but not with human, liver...
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Combined partial denitrification/anammox process for nitrogen removal in wastewater treatment
PublikacjaRecently, the combined partial denitrification and anammox (PD/anammox) has received special attention as a viable alternative for N removal using organic matter present in municipal wastewater. In comparison with conventional nitrification-denitrification, PD/anammox provides enormous opportunities to achieve sustainable wastewater treatment due to the lack of dissolved oxygen (DO) demand, a smaller amount of organic carbon (C)...
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More Than just Antioxidants: Redox-Active Components and Mechanisms Shaping Redox Signalling Network
PublikacjasettingsOrder Article Reprints This is an early access version, the complete PDF, HTML, and XML versions will be available soon. Open AccessReview More Than just Antioxidants: Redox-Active Components and Mechanisms Shaping Redox Signalling Network by Monika Kuczyńska,Patrycja Jakubek andAgnieszka Bartoszek *ORCID Faculty of Chemistry, Gdańsk University of Technology, 80-233 Gdańsk, Poland * Author to whom correspondence should...
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Krzysztof Bikonis dr inż.
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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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Algorytmy hybrydowe optymalizacji w zastosowaniu do problemu sterowania systemami dystrybucji wody
PublikacjaW pracy analizowany jest problem optymalizującego zintegrowanego sterowania ilością i jakością w systemach dystrybucji wody. Proponowane decyzje i sterowania powinny zapewniać optymalizację przyjętego wskaźnika jakości, przy spełnieniu ograniczeń właściwych tej klasie systemów. Ostatecznie do rozwiązania złożonych zadań optymalizacji dynamicznej zaproponowane zostało podejście hybrydowe, wspomagające predykcyjne algorytmy sterowania...
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Decentralized Microgrid Energy Management System with Market-Based Energy Trade System
PublikacjaThis paper presents a decentralized energy management system for a power microgrid, which integrates individual users, who own renewable energy sources and energy storages. The purpose of the system is to make optimal use of available resources to cover the electricity needs of the whole microgrid. Thanks to the energy exchange system, in addition to exchanges with the distribution network, the system also allows trades within...
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Investigating Fuel Injection Strategies to Enhance Ship Energy Efficiency in Wave Conditions
PublikacjaThe prediction of fuel consumption and resulting transportation costs is a crucial stage in ship design, particularly for conditions involving motion in waves. This study investigates the real-time fuel consumption of a container ship when sailing in waves. The overall ship performance is evaluated using a novel non-linear coupled hull-engine-propeller interaction model. A series of towing tank experiments for hull resistance in...
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Fractographical quantitative analysis of EN-AW 2024 aluminum alloy after creep pre-strain and LCF loading
PublikacjaThis paper explores the applicability of a new damage parameter combining both fracture surface topography and loading features to estimate the fatigue lifetime under creep pre-strain and low-cycle fatigue loading. Fractures of EN-AW 2024 aluminum alloy caused by mixed creep and low-cycle fatigue loading are experimentally characterized and quantified via surface topography analysis. The specimens were preliminary damaged in a...
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Travel Time of Public Transport Vehicles Estimation
PublikacjaEffective prediction of speed is central to advanced traveler information and transportation management systems. The speed of public transport vehicles is affected by many external factors including traffic volume, organization and infrastructure. The literature presents methods for estimating travel time on sections of a transport network and vehicle arrival at stops, often making use of the AVL (automatic vehicle location). The...
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Results of the application of tropospheric corrections from different troposphere models for precise GPS rapid static positioning
PublikacjaIn many surveying applications, determination of accurate heights is of significant interest. The delay caused by the neutral atmosphere is one of the main factors limiting the accuracy of GPS positioning and affecting mainly the height coordinate component rather than horizontal ones. Estimation of the zenith total delay is a commonly used technique for accounting for the tropospheric delay in static positioning. However, in the...
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Noise sources in Raman spectroscopy of biological objects
PublikacjaWe present an overview of noise sources deteriorating the quality of the recorded biological Raman spectra and the ability to determine the specimen composition. The acquired Raman spectra exhibit intense additive noise components or drifts because of low intensity of the scattered light. Therefore we have to apply expensive or bulky measurement setups to limit their inherent noise or to apply additional signal processing to reduce...
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Experimental validation of pressure drop models during flow boiling of R134a – effect of flow acceleration and entrainment
PublikacjaA crucial step to assure proficient work of power and process apparatus is their proper design. A wide array of those devices operates within boiling or condensation of the working fluid to benefit from high heat transfer rates. Two-phase flows are associated with high heat transfer coefficients because of the latent heat of evaporation and high turbulence level between the liquid and the solid surface. Predicting heat transfer...
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Validating data acquired with experimental multimodal biometric system installed in bank branches
PublikacjaAn experimental system was engineered and implemented in 100 copies inside a real banking environment comprising: dynamic handwritten signature verification, face recognition, bank client voice recognition and hand vein distribution verification. The main purpose of the presented research was to analyze questionnaire responses reflecting user opinions on: comfort, ergonomics, intuitiveness and other aspects of the biometric enrollment...
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Applying artificial neural networks for modelling ship speed and fuel consumption
PublikacjaThis paper deals with modelling ship speed and fuel consumption using artificial neural network (ANN) techniques. These tools allowed us to develop ANN models that can be used for predicting both the fuel consumption and the travel time to the destination for commanded outputs (the ship driveline shaft speed and the propeller pitch) selected by the ship operator. In these cases, due to variable environmental conditions, making...
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Energy-Aware High-Performance Computing: Survey of State-of-the-Art Tools, Techniques, and Environments
PublikacjaThe paper presents state of the art of energy-aware high-performance computing (HPC), in particular identification and classification of approaches by system and device types, optimization metrics, and energy/power control methods. System types include single device, clusters, grids, and clouds while considered device types include CPUs, GPUs, multiprocessor, and hybrid systems. Optimization goals include various combinations of...
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NUMERICAL ANALYSIS OF SPECIES DIFFUSION AND METHANOL DECOMPOSITION IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF Ni3Al FOR LOW REYNOLDS NUMBERS
PublikacjaNumerical modelling of hydrogen production by means of methanol decomposition in a thermocatalytic reactor using corrugated foil made of the Ni3Al intermetallic phase is shown in the paper. Experimental results of the flow analysis of mixtures containing helium and methanol in a thermocatalytic reactor with microchannels were used for the initial calibration of the CFD calculations (calculations based on the Computational Fluid...
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Predictions of cervical cancer identification by photonic method combined with machine learning
PublikacjaCervical cancer is one of the most commonly appearing cancers, which early diagnosis is of greatest importance. Unfortunately, many diagnoses are based on subjective opinions of doctors—to date, there is no general measurement method with a calibrated standard. The problem can be solved with the measurement system being a fusion of an optoelectronic sensor and machine learning algorithm to provide reliable assistance for doctors...
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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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AVHRR Level1CD covering Baltic Sea area year 2005
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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AVHRR Level1CD covering Baltic Sea area year 2004
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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AVHRR Level1CD covering Baltic Sea area year 2003
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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AVHRR Level1CD covering Baltic Sea area year 2002
Dane BadawczeThe dataset contains data derived from recordings of the AVHRR/3 radiometer operating on board the NOAA POES (Polar Orbiting Environmental Satellites) Series - 5th Generation Satellites covering the Baltic Sea area. The satellite data was recorded in the years 2000-2012 directly by the HRPT station installed at the University of Gdańsk. The registration...
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Enhancing chain-elongating microbiomes: Sequential fungi-bacteria cooperation for efficient food waste upgrading using endogenous electron donors
PublikacjaThe upgrading of organic waste such as food waste (FW) into medium-chain carboxylates (MCC) is within a bio-based circular economy concept. An efficient chain elongation (CE) microbiome is difficult to obtain, which normally requires long-term acclimatization and an exogenous supplement of electron donor (ED, especially ethanol). In this study, the CE microbiome was rapidly shaped within 18 days and an efficient endogenous ethanol-based...
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NUTRITIONAL AND PHARMACEUTICAL APPLICATIONS OF BIOACTIVE COMPOUNDS IN TROPICAL FRUITS
PublikacjaDuring the past two decades our international scientific group investigated in vitro the physicochemical and nutritional characteristics of some cultivars of durian at various stages of ripening, mangosteen and new cultivars of snake fruit in comparison with widely used avocado, kiwifruit and mango, and in vivo their influence on laboratory animals. The main objective of the present study was to screen and compare the properties...
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The overexpression of CPR and P450 3A4 in pancreatic cancer cells changes the metabolic profile and increases the cytotoxicity and pro-apoptotic activity of acridine antitumor agent, C-1748
PublikacjaDrug resistance is one of the major cause of pancreatic cancer treatment failure. Thus, it is still imperative to develop new active compounds and novel approach to improve drug efficacy. Here we present 9-amino-1-nitroacridine antitumor agent, C-1748, developed in our laboratory, as a candidate for pancreatic cancer treatment. We examined (i) the cellular response of pancreatic cancer cell lines: Panc-1, MiaPaCa-2, BxPC-3 and...
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Characterization of a single-stranded DNA-binding-like Protein from Nanoarchaeum equitans - a nucleic acid binding protein with broad substrate specificity
PublikacjaBackground SSB (single-stranded DNA-binding) proteins play an essential role in all living cells and viruses, as they are involved in processes connected with ssDNA metabolism. There has recently been an increasing interest in SSBs, since they can be applied in molecular biology techniques and analytical methods. Nanoarchaeum equitans, the only known representative of Archaea phylum Nanoarchaeota, is a hyperthermophilic, nanosized,...
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Polypropylene structure alterations after 5 years of natural degradation in a waste landfill
PublikacjaUp to 25% of plastic waste in Europe is still disposed of in landfills, despite recycling efforts. The plastic waste in the landfill plot may be exposed both to abiotic and biotic degradation processes, although it is thought that most of the plastic materials tend to be resistant to biodegradation or biodeterioration even after a long time. To verify if polypropylene (PP) can undergo the process of short-term biodegradation and...
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Comparison of nitrogen and VFA removal pathways in autotrophic and organotrophic anammox reactors
PublikacjaOrganotrophic anammox is a promising process for treating both nitrogen and organic containing wastewater than that of the traditional autotrophic anammox for sole nitrogen removal. However pathways of nitrogen removal particularly at metagenomic level in both processes are still unknown. Here we report, metabolic pathways of nitrogen removal in two lab-scale sequencing batch reactors (SBR), one autotrophic and another organotrophic...
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Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials
PublikacjaA combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr–Pt–Bi system. Because Pt–Bi is considered as a new critical charge-transfer pair for superconductivity, it inspired us to investigate the Sr–Pt–Bi system. With a thorough calculation of all the known stable/metastable compounds in the Sr–Pt–Bi system and crystal structure predictions, the thermodynamic...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublikacjaA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Switched-capacitor DC-DC converters in arbitrary switching mode - topologically derived resistive models based on incremental graph approach.
PublikacjaIn 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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Nitrogen mass balance and mathematical model of a Structured- Bed Reactor (SBRRIA)
PublikacjaAn up-flow structured-bed reactor subjected to recirculation and intermittent aeration (SBRRIA) was operated under varying influent conditions. The influent COD/N ratio was adjusted by maintaining a stable organic loading rate (average of 1.07 kgCOD m-3 d-1) and changing the nitrogen loading rate from 0.1 to 0.4 kg N m-3. Therefore, three different COD/N ratios were tested: 9.7±1 (Scenario 1); 7.6±1 (Scenario 2) and 2.9±1 (Scenario...
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Modelling of the Baumann turbine stage operation Part II. Free and kinetic vibrations
PublikacjaIn this paper has been presented a methodology of validation a novel mathematical model dedicated to evaluation and prediction of material degradation and demage of steam turbine elements such as blades, valves and pipes due to three mechanisms: stress-corosion, high-temperature creep and low-cyclic fatigue. The validation concept is based on an experimental setup manufactured in the Laboratory of Faculty of Mechanical and Power...
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Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening
PublikacjaBeta-glucosidase inhibitors play important medical and biological roles. In this study, simple two-variable artificial neural network (ANN) classification models were developed for beta-glucosidase inhibitors screening. All bioassay data were obtained from the ChEMBL database. The classifiers were generated using 2D molecular descriptors and the data miner tool available in the STATISTICA package (STATISTICA Automated Neural...
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Online sound restoration system for digital library applications
PublikacjaAudio signal processing algorithms were introduced to the new online non-commercial service for audio restoration intended to enhance the content of digitized audio repositories. Missing or distorted audio samples are predicted using neural networks and a specific implementation of the Jannsen interpolation method based on the autoregressive model (AR) combined with the iterative restoring of missing signal samples. Since the distortion...