Filters
total: 944
filtered: 826
Search results for: IN SILICO METABOLISM PREDICTION
-
Transcriptional activity of epigenetic remodeling genes declines in keratinocytes after in vitro expansion
PublicationPURPOSE: In vitro expansion is an invaluable method to obtain keratinocytes in amounts necessary for effective transplantation therapies. In vitro cell culturing provokes questions concerning potential epigenetic alterations occurring in expanded cells in the context of usefulness for transplantation and safety. The purpose of this study was to investigate as to whether keratinocyte expansion is associated with changes in the activity...
-
Assessment of diversity and composition of bacterial community in Sludge Treatment Reed Bed systems
PublicationDue to their low emission of odours and lack of the need to apply additional chemical agents, sludge treatment reed beds (STRBs) constitute an economically feasible and eco-friendly approach to sewage sludge management. Correctly designed and operated STRBs ensure effective reduction of the dry matter content coupled with the mineralisation of organic compounds. Successful operation of STRBs relies on complex interactions between...
-
Membrane separation processes for the extraction and purification of steviol glycosides: an overview
PublicationSteviol glycosides (SGs), as natural sweeteners from Stevia rebaudiana, are currently employed for replacing sugar and its derivatives in several food products and formulations. Such compounds play an essential role in human health. Their usage provides a positive effect on preventing diseases related to sugar consumption, including diabetes mellitus, cancer, and lipid metabolism disorders. The traditional extraction of SGs is...
-
Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
-
Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
-
Navier number and transition to turbulence
PublicationThe motivation behind this article is to explain a role of the Navier number (Na -dimensionless slip-length) in prediction of closures for laminar to turbulent transition undergoing via eddies detachment from the slip layer in nano-cannals. Additionally the role of the Navier number Na in universal modeling of phenomenon of enhanced mass flow rate reported in micro- and nano-channels has been explained. The Na number should be...
-
The green waterfront of a city. Where are the limits of good planning? Gdansk case
PublicationThe aim of the article is to present the role of green public areas of waterfronts in shaping the image of cities, and the threats to such landscape which may be caused by wrong planning decisions. The case study of Gdansk sea-shore area in Poland is presented as an example to illustrate the values and potential of the waterfront landscape which can be easily destroyed by inadequate spatial development. Some theoretical studies...
-
Assessment of under power ed propulsion machinery in electrically driven small inland waterway passenger ships from classification society point of view
PublicationPaper presents short operat ional a nd engineering analysis of underpowered propulsion in small electrically propelled small inland passenger ships. There is evidence that in certain weather conditions the phenomena of added aerodynamic resistance of small water crafts may have seriou s influence on their speed and manoeuvrability. Existing regulations like class societies rules for ship classification and construction or EU Directive 2006/87/EC do...
-
Towards hand grip force assessment by using EMG estimators
PublicationThe purpose of this study was to propose a method to assess individual regression (calibration) curves to establish a relationship between an isometric grip force and surface electromyography (EMG) estimator. In this study 18 healthy volunteers (12 male (23.0 ± 2.0 years) and 6 female (23.2 ± 0.7 years)) had been examined. Ten EMG estimators (mean absolute value, root mean square, entropy, energy, turns per second, mean of zero...
-
Interventions reducing car usage: Systematic review and meta-analysis
PublicationThis systematic literature review aimed to investigate the extent to which transport-related interventions induced a reduction in car use. Both qualitative synthesis and meta-analysis were employed. The synthesis included 31 original studies, while the meta-analysis included 21. Of the qualitatively synthesised studies, 74 % demonstrated that interventions were effective in reducing car use. The pooled estimates of the effects...
-
Application of a stochastic compartmental model to approach the spread of environmental events with climatic bias
PublicationWildfires have significant impacts on both environment and economy, so understanding their behaviour is crucial for the planning and allocation of firefighting resources. Since forest fire management is of great concern, there has been an increasing demand for computationally efficient and accurate prediction models. In order to address this challenge, this work proposes applying a parameterised stochastic model to study the propagation...
-
Virtual Whiteboard: A gesture-controlled pen-free tool emulating school whiteboard
PublicationIn the paper the so-called Virtual Whiteboard is presented which may be an alternative solution for modern electronic whiteboards based on electronic pens and sensors. The presented tool enables the user to write, draw and handle whiteboard contents using his/her hands only. An additional equipment such as infrared diodes, infrared cameras or cyber gloves is not needed. The user's interaction with the Virtual Whiteboard computer...
-
Early warning models against bankruptcy risk for Central European and Latin American enterprises
PublicationThis article is devoted to the issue of forecasting the bankruptcy risk of enterprises in Latin America and Central Europe. The author has used statistical and soft computing methods to program the prediction models. It compares the effectiveness of twelve different early warningmodels for forecasting the bankruptcy risk of companies. In the research conducted, the author used data on 185 companies listed on the Warsaw Stock Exchange...
-
ASSESSMENT OF UNDERPOWER ED PROPULSION MACHINERY IN ELECTRICALLY DRIVEN SMALL INLAND WATERWAY PASSENGER SHIPS FROM CLASSIFICATION SOCIETY POINT OF View
PublicationPaper presents short operat ional a nd engineering analysis of underpowered propulsion in small electrically propelled small inland passenger ships. There is evidence that in certain weather conditions the phenomena of added aerodynamic resistance of small water crafts may have serious influence on their speed and manoeuvrability. Existing regulations like class societies rules for ship classification and construction or EU Directive 2006/87/EC do...
-
The influence of global climate change on the environmental fate of anthropogenic pollution released from the permafrost
PublicationThis article presents a review of information related to the influence of potential permafrost degradation on the environmental fate of chemical species which are relased and stored, classified as potential influence in future Antarctic environment. Considering all data regarding climate change prediction, this topic may prove important issue for the future state of the Antarctic environment. A detailed survey on soil and permafrost...
-
Effective Gap Size Index for Determination of Optimum Separation Distance Preventing Pounding between Buildings during Earthquakes
PublicationSeismic excitations may lead to collisions between adjacent civil engineering structures causing major damage. In this paper, an effective equation for calculating the gap size index is proposed so as to provide the optimum separation distance preventing structural pounding during different earthquakes. Evaluation of the best prediction of the required separation distance between two adjacent buildings was carried out by using...
-
Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment
PublicationCritical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...
-
Investigating Feature Spaces for Isolated Word Recognition
PublicationThe study addresses the issues related to the appropriateness of a two-dimensional representation of speech signal for speech recognition tasks based on deep learning techniques. The approach combines Convolutional Neural Networks (CNNs) and time-frequency signal representation converted to the investigated feature spaces. In particular, waveforms and fractal dimension features of the signal were chosen for the time domain, and...
-
The Dynamics of Trade Relations between Ukraine and Romania: Modelling and Forecasting
PublicationThe article examines the monthly dynamics of exports, imports and balance of trade between Ukraine and Romania in the period from 2005 to 2021. Time series from 2015 to 2021 were used for modelling and forecasting (since the date the European Union–Ukraine Association Agreement took effect). Adequate models of the dynamics series of the Box-Jenkins methodology were built: additive models with seasonal component ARIMA (Autoregressive...
-
FEM and experimental investigations of concrete temperature field in the massive stemwall of the bridge abutment
PublicationThe paper deals with the prediction of early-age concrete temperature of cast-in-place stemwall of the bridge abutment. The considered object is an arch bridge located in Gda´nsk. In the case of massive structures, it is particularly important to not exceed the temperature difference between the core and the concrete surface. Too high temperature gradient generates an increase in thermal stresses, what could be the reason of exceeding...
-
Evaluation of Linkers’ Influence on Peptide-Based Piezoelectric Biosensors’ Sensitivity to Aldehydes in the Gas Phase
PublicationRecent findings qualified aldehydes as potential biomarkers for disease diagnosis. One of the possibilities is to use electrochemical biosensors in point-of-care (PoC), but these need further development to overcome some limitations. Currently, the primary goal is to enhance their metrological parameters in terms of sensitivity and selectivity. Previous findings indicate that peptide OBPP4 (KLLFDSLTDLKKKMSEC-NH2) is a promising...
-
From Scores to Predictions in Multi-Label Classification: Neural Thresholding Strategies
PublicationIn this paper, we propose a novel approach for obtaining predictions from per-class scores to improve the accuracy of multi-label classification systems. In a multi-label classification task, the expected output is a set of predicted labels per each testing sample. Typically, these predictions are calculated by implicit or explicit thresholding of per-class real-valued scores: classes with scores exceeding a given threshold value...
-
Using LSTM networks to predict engine condition on large scale data processing framework
PublicationAs the Internet of Things technology is developing rapidly, companies have an ability to observe the health of engine components and constructed systems through collecting signals from sensors. According to output of IoT sensors, companies can build systems to predict the conditions of components. Practically the components are required to be maintained or replaced before the end of life in performing their assigned task. Predicting...
-
The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: 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...
-
Nutritional and Pharmaceutical Properties of Bioactive Compounds in Organic and Conventional Growing Kiwifruit
PublicationThe 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);...
-
Identification and characterization of single-stranded DNA-binding protein from the facultative psychrophilic bacteria Pseudoalteromonas haloplanktis
PublicationSingle-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...
-
Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublicationGlucosamine-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...
-
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.
PublicationBackground 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...
-
Drug-drug interaction potential of antitumor acridine agent C-1748: The substrate of UDP-glucuronosyltransferases 2B7, 2B17 and the inhibitor of 1A9 and 2B7
PublicationBackground 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...
-
Novel insights into conjugation of antitumor-active unsymmetrical bisacridine C-2028 with glutathione: characteristics of non-enzymatic and glutathione S-transferase-mediated reactions
PublicationUnsymmetrical 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...
-
More Than just Antioxidants: Redox-Active Components and Mechanisms Shaping Redox Signalling Network
PublicationsettingsOrder 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...
-
Combined partial denitrification/anammox process for nitrogen removal in wastewater treatment
PublicationRecently, 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)...
-
„Eulerian – Eulerian” versus ,,Eulerian –Lagrangean” models of condensation
PublicationLiquid phase in the flowing vapor through stages of the steam turbine is the cause of a lot of failures. Nowadays, due to work of steam turbines at partial load, process of homogeneous and heterogeneous condensation still is current. The formation of drops of condensate under conditions other than nominal operation of turbine is a process still unknown. Engineers and designers involved in the development of power station machines...
-
Genre-Based Music Language Modeling with Latent Hierarchical Pitman-Yor Process Allocation
PublicationIn 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...
-
Adaptive Sampling for Non-intrusive Reduced Order Models Using Multi-Task Variance
PublicationNon-intrusive reduced order modeling methods (ROMs) have become increasingly popular for science and engineering applications such as predicting the field-based solutions for aerodynamic flows. A large sample size is, however, required to train the models for global accuracy. In this paper, a novel adaptive sampling strategy is introduced for these models that uses field-based uncertainty as a sampling metric. The strategy uses...
-
Influences of grain shape and size distribution on permeability
PublicationThe present study investigates the effects of shape and size distributions of grains on the coefficient of permeability (k). A series of constant head permeability tests were performed to characterize the coefficient of permeability. Three particle size ranges (4.75- 0.075, 1.18- 0.075 and 0.300-0.075 mm) of two different sands (Narli Sand, Crushed Stone Sand) having different shapes were tested in a constant head permeability...
-
Genre-Based Music Language Modeling with Latent Hierarchical Pitman-Yor Process Allocation
PublicationIn 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,...
-
Simplified, multiregional fuzzy model of a nuclear power plant steam turbine
PublicationPower 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...
-
Laboratory Determination of Burger's Model Parameters for Visco-elastic Analysis of Road Pavement Materials
PublicationBurger's Model is one of those models that describes performance of asphalt mixtures. Its parameters can be used in road construction analysis based on visco-elastic properties in wide variety of temperatures using dedicated programs (e.g. Veroad) or in Finite Element Method (FEM). Parameters of Burger's Model can be used for example in prediction of low temperature cracking in low winter temperatures or permanent deformation...
-
Enhanced uniform data sampling for constrained data‐driven modeling of antenna input characteristics
PublicationData-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...
-
Modelling of Abdominal Wall Under Uncertainty of Material Properties
PublicationThe 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...
-
Eulerian motion magnification applied to structural health monitoring of wind turbines
PublicationSeveral 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...
-
Free Convection Heat Transfer from Horizontal Cylinders
PublicationThe 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...
-
Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublicationIt 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...
-
Towards an Understanding of the Stability Assessment of Floating Buildings
PublicationOne 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,...
-
Novel binary mixtures of alkanolamine based deep eutectic solvents with water - thermodynamic calculation and correlation of crucial physicochemical properties
PublicationThis 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...
-
Algorytmy hybrydowe optymalizacji w zastosowaniu do problemu sterowania systemami dystrybucji wody
PublicationW 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...
-
Travel Time of Public Transport Vehicles Estimation
PublicationEffective 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...
-
Investigating Fuel Injection Strategies to Enhance Ship Energy Efficiency in Wave Conditions
PublicationThe 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...
-
Active Learning on Ensemble Machine-Learning Model to Retrofit Buildings Under Seismic Mainshock-Aftershock Sequence
PublicationThis research presents an efficient computational method for retrofitting of buildings by employing an active learning-based ensemble machine learning (AL-Ensemble ML) approach developed in OpenSees, Python and MATLAB. The results of the study shows that the AL-Ensemble ML model provides the most accurate estimations of interstory drift (ID) and residual interstory drift (RID) for steel structures using a dataset of 2-, to 9-story...