Search results for: IN SILICO METABOLISM PREDICTION
-
Prediction of Thymine Dimer Repair by Electron Transfer from Photoexcited 8-Aminoguanine or Its Deprotonated Anion
Publication -
Short clinically-based prediction model to forecast transition to psychosis in individuals at clinical high risk state
Publication -
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13
Publication -
Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
Publication -
Impact of Feature Selection Methods on the Predictive Performance of Software Defect Prediction Models: An Extensive Empirical Study
Publication -
Temperature-Based Prediction of Joint Hardness in TIG Welding of Inconel 600, 625 and 718 Nickel Superalloys
Publication -
Comparison of selected parametric methods for prediction of inland waterways ship hull resistance in towing tank test
PublicationIn the paper selected approximate methods for calculation of inland waterways ship resistance and their verification by towing tests, compared on the example of a small urban ferry, are presented. The test results are made for both the bare hull and the hull with appendages (skeg, azimuthal propeller). Significant differences between results of the theoretical methods and experimental ones, especially in the case of the model with...
-
Nonlinear FEM 2D failure onset prediction of composite shells based on 6-parameter shell theory
PublicationWithin the framework of the nonlinear 6-parameter shell theory with the drilling rotation and asymmetric stress measures, the modifications of Tsai-Wu and Hashin laminate failure initiation criteria are proposed. These improvements enable to perform first ply failure estimations taking into account the non-symmetric stress measures. In order to check the validity of the proposed criteria, finite element analyses are performed with...
-
Prediction of Wastewater Quality at a Wastewater Treatment Plant Inlet Using a System Based on Machine Learning Methods
PublicationOne of the important factors determining the biochemical processes in bioreactors is the quality of the wastewater inflow to the wastewater treatment plant (WWTP). Information on the quality of wastewater, sufficiently in advance, makes it possible to properly select bioreactor settings to obtain optimal process conditions. This paper presents the use of classification models to predict the variability of wastewater quality at...
-
Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
-
Genes encoding proteins regulating fatty acid metabolism and cellular response to lipids are differentially expressed in porcine luminal epithelium during long-term culture
Publication -
Protective effect of Aronia melanocarpa polyphenols against cadmium-induced disorders in bone metabolism: A study in a rat model of lifetime human exposure to this heavy metal
Publication -
Systemy ekspresyjne białek cytochromu P450 w badaniach in vitro metabolizmu leków = Expression systems of cytochrome P450 proteins in studies of drug metabolism in vitro
PublicationBiałka cytochromu P450 to najważniejsze enzymy biorące udział w metabolizmie większości stosowanych w klinice leków, odpowiedzialne za ich aktywację lub detoksykację. Niektóre z dróg metabolizmu leku mogą być jednak odpowiedzialne za jego podwyższoną toksyczność. Nowe systemy ekspresyjne białek cytochromu P450 w komórkach ssaków, w tym człowieka, projektowane są w celu poznania roli metabolizmu w mechanizmie działania potencjalnych,...
-
Pediatric Endocrinology, Diabetes and Metabolism
Journals -
Molecular Genetics and Metabolism Reports
Journals -
Performance of various risk prediction models in a large lung cancer screening cohort in Gdańsk, Poland—a comparative study
Publication -
Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublicationThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
-
Application of reversed-phase thin layer chromatography and QSRR modelling for prediction of protein binding of selected β-blockers
Publication -
An ANN-Based Approach for Prediction of Sufficient Seismic Gap between Adjacent Buildings Prone to Earthquake-Induced Pounding
PublicationEarthquake-induced structural pounding may cause major damages to structures, and therefore it should be prevented. This study is focused on using an artificial neural network (ANN) method to determine the sufficient seismic gap in order to avoid collisions between two adjacent buildings during seismic excitations. Six lumped mass models of structures with a different number of stories (from one to six) have been considered in...
-
Exergy and Energy Analyses of Microwave Dryer for Cantaloupe Slice and Prediction of Thermodynamic Parameters Using ANN and ANFIS Algorithms
PublicationThe study targeted towards drying of cantaloupe slices with various thicknesses in a microwave dryer. The experiments were carried out at three microwave powers of 180, 360, and 540 W and three thicknesses of 2, 4, and 6 mm for cantaloupe drying, and the weight variations were determined. Artificial neural networks (ANN) and adaptive neuro-fuzzy inference systems (ANFIS) were exploited to investigate energy and exergy indices of...
-
A subdomain model for armature reaction field and open‐circuit field prediction in consequent pole permanent magnet machines
PublicationIn this paper, the machine quantity, such as electromagnetic torque, self and mutual inductances, and electromotive force, is analytically calculated for non-overlapping winding consequent pole slotted machine for open-circuit field and armature reaction. The sub-domain approach of (2-D) analytical model is developed using Maxwell's equations and divide the problem into slots, slot-openings, airgap and magnets region, the magnet...
-
Verification of the theoretical methods for the prediction of resistance of sailing yachts based on model test results of a yacht V.O.60
PublicationWeryfikacja opiera się głównie na serii systematycznych badań modelowych wykonanych w roku 2001 w Laboratorium Hydromechaniki Okrętu WOIO PG. Zademonstrowano prognozy oporu jachtu wykonane trzema metodami z oszacowaniem i dyskusją rozbieżności wyników. Przeprowadzone badania są zorientowane na opracowanie wiarygodnego programu komputerowego dla prognozowania prędkości i innych parametrów ruchu żaglowych, regatowych jachtów oceanicznych...
-
DIABETES & METABOLISM
Journals -
Contribution of UDP-glucuronosyltransferases (UGTs) in metabolism of acridinone antitumor agents, C-1311, C-1305, and their less active structural analogues, C-1330 and C-1299
PublicationCelem prowadzonych badań było określenie roli UDP-glukuronylotransferaz, uważanych za najważniejsze enzymy detoksykujące, w metabolizmie pochodnych imidazo- i triazoloakrydonu. Wykazano, że najbardziej aktywne przeciwnowotworowo związki z obu grup, tj. C-1311 i C-1305 są transformowane do O-glukuronidów, w przeciwieństwie do ich metoksylowych analogów, odpowiednio związku C-1330 i C-1299. Analiza składu mieszanin reakcyjnych zawierających...
-
Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
Publication -
Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
Publication -
Deep Learning-based Recalibration of the CUETO and EORTC Prediction Tools for Recurrence and Progression of Non–muscle-invasive Bladder Cancer
Publication -
Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets
Publication -
Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
Publication -
Prediction of near-bottom water salinity in the Baltic Sea using Ordinary Least Squares and Geographically Weighted Regression models
Publication -
Prediction of Stress and Deformation Caused by Magnetic Attraction Force in Modulation Elements in a Magnetically Geared Machine Using Subdomain Modeling
Publication -
Machine Learning- and Artificial Intelligence-Derived Prediction for Home Smart Energy Systems with PV Installation and Battery Energy Storage
Publication -
Prediction of Ship Resonant Rolling - Related Dangerous Zones with Regard to the Equivalent Metacentric Height Governing Natural Frequency of Roll
PublicationPotentially dangerous zones corresponding to dynamical stability phenomena, possibly encountered by ships sailing in rough sea, are estimated nowadays with the use of the method recommended by IMO in the guidance coded MSC.1/Circ.1228. In this IMO method the parameter governing the natural period of roll is the initial metacentric height. Some earlier studies revealed that the initial metacentric height...
-
Fracture prediction in flat PMMA notched specimens under tension - effectiveness of the equivalent material concept and fictitious material concept
PublicationThe fracture of notched elements under mode I loading (tension) remains an inexhaustible research topic, especially when it comes to the fracture of thermoplastic materials such as polymethylmethacrylate (PMMA), which experience considerable plastic strains under tension. The paper points out that traditional brittle fracture criteria such as mean stress (MS) or maximum tangential stress (MTS) criteria used to predict this phenomenon do...
-
International Journal of Computational Bioinformatics and In Silico Modeling
Journals -
Resistance of human prostate carcinoma cells to a new antitumor compound capridine beta is associated with changed drug metabolism combined with both inherent and drug-induced overexpression of ABC transporters
PublicationW pracy charakteryzujemy mechanizm oporności na nową pochodną 1-nitroakrydyny, związku capridine beta (C-1748) o wysokiej aktywności przeciwnowotworowej, znajdującego się w badaniach klinicznych. Nasze dane wskazują, że oporność na ten związek jest wynikiem zmienionego metabolizmu inaktywującego C-1748 oraz wzrostem ekspresji pompy błonowej ABCG2 a także innych białek transportowych typu ABC.
-
Diminished toxicity of C-1748, 4-methyl-9-hydroxyethylamino-1-nitroacridine, compared with its demethyl analog, C-857, corresponds to its resistance to metabolism in HepG2 cells
Publication -
Human CYP2 family of cytochrome P-450 takes part in metabolism of two acridine antitumor agents, C-1311 and C-1748, selected for I phase of clinical trials
PublicationPraca zawiera wyniki badań metabolicznej transformacji przeciwnowotworowych pochodnych akrydyny wobec zestawu 16 prób enzymów mikrosomalnych, pochodzących z wątroby 16 różnych pacjentów. Wykazano, że za metabolizm tych związków u człowieka odpowiedzialne są głównie izoenzymy z rodziny CYP2.
-
Teicoplanin-Modified HPLC Column as a Source of Experimental Parameters for Prediction of the Anticonvulsant Activity of 1,2,4-Triazole-3-Thiones by the Regression Models
Publication -
Prediction of skin color, tanning and freckling from DNA in Polish population: linear regression, random forest and neural network approaches
Publication -
Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field
Publication -
Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC
Publication -
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
Publication -
3-Methoxytyramine Is the Major Metabolite of Released Dopamine in the Rat Frontal Cortex: Reassessment of the Effects of Antipsychotics on the Dynamics of Dopamine Release and Metabolism in the Frontal Cortex, Nucleus Accumbens, and Striatum by a Simple T
Publication -
Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information
Publication -
Validation study on a new semi-empirical method for the prediction of added resistance in waves of arbitrary heading in analyzing ship speed trial results
Publication -
Reversed-phase and normal-phase thin-layer chromatography and their application to the lipophilicity prediction of synthetic pyrethroids based on quantitative structure–retention relationships
Publication -
Prediction of maximum tensile stress in plain-weave composite laminates with interacting holes via stacked machine learning algorithms: A comparative study
PublicationPlain weave composite is a long-lasting type of fabric composite that is stable enough when being handled. Open-hole composites have been widely used in industry, though they have weak structural performance and complex design processes. An extensive number of material/geometry parameters have been utilized for designing these composites, thereby an efficient computational tool is essential for that purpose. Different Machine Learning...
-
Modelowanie przepływu wód podziemnych w strefie brzegowej morza - możliwości prognozowania = Groundwater flow modeling in the coastline area - prediction possibilities
PublicationSpecyficzne warunki występowania wód podziemnych w strefie brzegowej morza sprawiają, że ich eksploatacja jest sprawą złożoną i powinna być weryfikowana na modelu numerycznym. Zasadniczym zagrożeniem jest ingresja słonych wód morskich, która może być wzbudzona eksploatacją. Innym czynnikiem, który może przyczynić się do ingresji wód słonych do warstwy wodonośnej może być podniesienie się poziomu morza. W pracy przedstawiono wyniki...
-
Błażej Prusak dr hab.
PeopleBłażej Prusak is Head of the Department of Finance at the Faculty of Management and Economics, Gdansk University of Technology and Editor-in-Chief of the journal Research on Enterprise in Modern Economy - theory and practice (REME), as well as a member of editorial boards of such journals as Intellectual Economics; Space. Economics. Society; Academy of Management. He is the author or co-author of several scientific monographs including:...