Filters
total: 934
filtered: 816
Search results for: IN SILICO METABOLISM PREDICTION
-
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...
-
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...
-
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...
-
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...
-
Machine Learning- and Artificial Intelligence-Derived Prediction for Home Smart Energy Systems with PV Installation and Battery Energy Storage
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 -
Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
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 -
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...
-
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 -
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.
-
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.
-
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 -
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 -
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 -
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 -
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 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 -
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...
-
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...
-
Chemometric analysis of bio-inspired micellar electrokinetic chromatographic systems – modelling of retention mechanism and prediction of biological properties using bile salts surfactants
Publication -
Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems
Publication -
Potential of Serum Proteome Patterns Analysis by MALDI-TOF Mass Spectrometry for Prediction of Acute Radiation Injury Response in Head and Neck Cancers Patients
Publication -
Metabolic transformation of antitumor acridinone C-1305 but not C-1311 via selective cellular expression of UGT1A10 increases cytotoxic response: implications for clinical use.
PublicationThe acridinone derivates C-1305 and C-1311 are promising antitumor agents with high activity against several experimental cellular and tumor models and which are under evaluation in pre-clinical and early phase clinical trials. Recent evidence from our laboratories has indicated that both compounds were conjugated by several UGT isoforms with the most active being extrahepatic UGT1A10. The present studies were designed to test...
-
Drug affinity to human serum albumin prediction by retention of cetyltrimethylammonium bromide pseudostationary phase in micellar electrokinetic chromatography and chemically advanced template search descriptors
Publication -
A Hierarchical Multiscale Approach to Protein Structure Prediction: Production of Low‐Resolution Packing Arrangements of Helices and Refinement of the Best Models with a United‐Residue Force Field
Publication -
Polybrominated diphenyl ether (PBDE) concentrations in dust from various indoor environments in Gdańsk, Poland: Prediction of concentrations in indoor air and assessment of exposure of adults
PublicationMonitoring of polybrominated diphenyl ethers (PBDEs) in indoor environments involves the determination of their concentrations in air, airborne particles, and settled dust. Each of these is a source of human exposure to PBDEs. In this study, we attempted to model PBDEs concentrations in various typical indoor environments on the basis of real PBDEs measurements in dust collected from them. The analytical procedure for determining...
-
Wyznaczanie współczynnika przejmowania ciepła podczas wrzenia w przepływie dwutlenku węgla (Prediction of flow boling heat transfer coefficient for carbon dioxide in minichannels)
PublicationW pracy przedstawiono wyniki obliczeń uzyskane za pomocą własnego modelu półemirycznego dla wybranych danych eksperymentalnych dla wrzenia w przepływie dwutlenku węgla. Metoda obliczeniowa została zweryfikowana z danymi eksperymentalnymi Docoulombiera i innych (2011) oraz Mastrullo i innych (2009). Badania eksperymentalne dotyczą pełnego zakresu zmienności stopnia suchości oraz zakresu prędkości masowej G=200-1200 kg/m2s. rozwijany...
-
Comparative Study of Pavement Rehabilitation Using Hot in-Place Recycling and Hot-Mix Asphalt: Performance Evaluation, Pavement Life Prediction, and Life Cycle Cost Analysis
Publication -
Validation of EORTC, CUETO, and EAU risk stratification in prediction of recurrence, progression, and death of patients with initially non–muscle‐invasive bladder cancer (NMIBC): A cohort analysis
Publication -
Review of Research into Enterprise Bankruptcy Prediction in Selected Central and Eastern European Countries (prezentacja na konferencji TWENTY-SIXTH ANNUAL CONFERENCE MULTINATIONAL FINANCE SOCIETY)
PublicationUlotka konferencyjna: http://www.mfsociety.org/modules/modMainContent/uploadFiles/miscFiles/1562848077-MFC2019-Booklet-for-Distribution_2019-06-25.pdf
-
Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublicationIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
-
Analiza porównawcza metod predykcji chwili zgodności fazowejw automatycznym synchronizatorze prądnic = Comparison of the methods of prediction time phase coincidence in automatic synchronizer of power generators
PublicationW artykule porównano dokładność wybranych metod realizacji warunku fazowego podczas synchronizacji obiektów elektroenergetycznych. Do porównania wybrano trzy metody: liniową, wielomianową oraz metodę adaptacyjnej synchronizacji prądnic z ekstrapolacją funkcją wymierną. Badania przeprowadzono dla różnych warunków pracy. Przyjęto stałą różnicę częstotliwości napięć synchronizowanych obiektów, różnicę częstotliwości zmieniającą się...
-
Role of Human UDP-Glucuronosyltransferases in the Biotransformation of the Triazoloacridinone and Imidazoacridinone Antitumor Agents C-1305 and C-1311 : Highly Selective Substrates for UGT1A10
Publication5-Diethylaminoethylamino-8-hydroxyimidazoacridinone, C-1311 (NSC-645809), is an antitumor agent shown to be effective against breast cancer in phase II clinical trials. A similar compound, 5-dimethylaminopropylamino-8-hydroxytriazoloacridinone, C-1305, shows high activity against experimental tumors and is expected to have even more beneficial pharmacological properties than C-1311. Previously published studies showed that these...
-
Productivity Enhancement by Prediction of Liquid Steel Breakout during Continuous Casting Process in Manufacturing of Steel Slabs in Steel Plant Using Artificial Neural Network with Backpropagation Algorithms
Publication -
Cytokine TGFβ Gene Polymorphism in Asthma: TGF-Related SNP Analysis Enhances the Prediction of Disease Diagnosis (A Case-Control Study With Multivariable Data-Mining Model Development)
Publication -
AOP173 key event associated pathway predictor – online application for the prediction of benchmark dose lower bound (BMDLs) of a transcriptomic pathway involved in MWCNTs-induced lung fibrosis
Publication -
Validation of EORTC, CUETO and EAU risk stratification in prediction of recurrence, progression and death of patients with initially non-muscle invasive bladder cancer (NMIBC): a cohort analysis with systematic review.
Publication -
Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
Publication -
Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublicationA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
-
Searching for the primary metabolic alterations of polycystic ovary syndrome by application of the untargeted metabolomics approach
PublicationDespite a large number of studies, the pathogenesis of polycystic ovary syndrome (PCOS) still remains unexplained. In light of ambiguous observations reported in metabolomics, there is a need to carry out studies focusing on confirming the discriminating power of the proposed metabolomics biomarkers. Our research aimed to perform a validation study of metabolites detected in our previous study from serum samples, on the new set...