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Search results for: IN SILICO METABOLISM PREDICTION
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Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review
PublicationIn this review, we present the applications of chemometric techniques for green and sustainable chemistry. The techniques, such as cluster analysis, principal component analysis, artificial neural networks, and multivariate ranking techniques, are applied for dealing with missing data, grouping or classification purposes, selection of green material, or processes. The areas of application are mainly finding sustainable solutions...
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Accidental wow evaluation based on sinusoidal modeling and neural nets prediction
PublicationReferat przedstawia opis algorytmu do określenia charakterystyki zniekształcenia kołysania dźwięku. Prezentowane podejście wykorzystuje sinusoidalną analizę dźwięku bazującą zarówno na amplitudowym jak i fazowym widmie sygnału fonicznego. Trajektorie poszczególnych składowych tonalnych, obrazujące zniekształcenie kołysania, określane są na podstawie analizy ich chwilowych amplitud, częstotliwości i faz. Dodatkowo referat przedstawia...
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Foil capacitors relability prediction based on fluctuation and non-linear phenomena
PublicationPrzeanalizowano właściwości nieliniowe i zjawiska fluktuacyjne kondensatorów w celu wytypowania kryterium selekcji kondensatorów przeciwzakłóceniowych na grupy o różnej trwałości i niezwodności. Może to poprawić proces oceny jakości kondensatorów o podwyższonej niezawodności. Przedstawiono wybrane wyniki eksperymentalne pomiaru kondensatorów wytwarzanych przez ZR MIFLEX w Kutnie. Opisano rozwiązanie implementacji technik pomiaru...
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On long-term prediction of stresses in principal members of ship hull structures.
PublicationOpisano krytycznie wymagania towarzystw klasyfikacyjnych dotyczące oceny wytrzymałości wzdłużnych wiązarów i wzdłużnych usztywnień poszycia kadłuba statku. Przedstawiono sposób prognozowania długoterminowego dynamicznych składowych tych naprężeń oraz zaproponowano sposób składania charakterystycznych wartości poszczególnych składowych naprężeń do zastosowania w przepisach Polskiego Rejestru Statków. Sposób ten bazuje na koncepcji...
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Early prediction of macrocrack location in concrete and other granular composite materials
PublicationHeterogeniczne kruche kompozyty, takie jak beton, ceramika i skały składają się z ziaren połączonych wiązaniami. Pytanie, czy ścieżka pęknięcia, która prowadzi do zniszczenia może być przewidziania na podstawie znanych cech mikrostrukturalnych, a mianowicie łączności wiązań, rozmiaru, energii pękania, wytrzymałości pozostają otwarte. Istnieje wiele kryteriów pęknięć. Najczęściej używane są oparte na postulowanym ekstremum naprężenia...
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Effect of temperature and composition on physical properties of deep eutectic solvents based on 2-(methylamino)ethanol – measurement and prediction
PublicationNovel deep eutectic solvents were synthesized using 2-(methylamino)ethanol as hydrogen bond donor with tetrabutylammonium bromide or tetrabutylammonium chloride or tetraethylammonium chloride as hydrogen bond acceptors. Mixtures were prepared at different molar ratios of 1:6, 1:8 and 1:10 salt to alkanolamine and then Fourier Transform Infrared Spectroscopy measurements were performed to confirm hydrogen bonds interactions between...
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Underground Water Level Prediction in Remote Sensing Images Using Improved Hydro Index Value with Ensemble Classifier
PublicationThe economic sustainability of aquifers across the world relies on accurate and rapid estimates of groundwater storage changes, but this becomes difficult due to the absence of insitu groundwater surveys in most areas. By closing the water balance, hydrologic remote sensing measures offer a possible method for quantifying changes in groundwater storage. However, it is uncertain to what extent remote sensing data can provide an...
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Metabolism of antitumor 9-amino-1-nitroacridine derivatives in HepG2 cells and its influence on cytochrome P450 isoenzymes
PublicationCelem przeprowadzonych badań było określenie wpływu pochodnych C-857 i C-1748 na poziom enzymów cytochromu P450 w powiązaniu z kinetyką metabolizmu badanych związków. Eksperymenty zostały przeprowadzone na komórkach ludzkiego nowotworu wątroby HepG2. Uzyskane wyniki metodą Western blotting wykazały, że za metaboliczną transformacje pochodnych C-857 i C-1748 odpowiada izoenzym CYP3A4.Analiza metabolitów (Western blotting, HPLC)...
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The Role of Dimethyl Sulfoxide (DMSO) in Gene Expression Modulation and Glycosaminoglycan Metabolism in Lysosomal Storage Disorders on an Example of Mucopolysaccharidosis
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Alterations in dopamine metabolism by intraperitoneal ethanol in rats selected for high and low ethanol preference: A 3-methoxytyramine study
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Expression Profile of Genes Regulating Steroid Biosynthesis and Metabolism in Human Ovarian Granulosa Cells—A Primary Culture Approach
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Genes regulating biochemical pathways of oxygen metabolism in porcine oviductal epithelial cells during long-term IVC
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The antitumor derivative, C-1748, affects CYP3A4: crosstalk between drug metabolism, CYP3A4 expression and enzymatic activity
PublicationJedną z głównych przeszkód w przewidywaniu wyników terapii u pacjentów z nowotworem jest indywidualny przebieg metabolizmu stosowanych leków wynikający z polimorfizmu genów enzymów metabolizujących, jak również duża zmienność farmakokinetyki leków obserwowana u różnych pacjentów podczas trwania chemioterapii. Z powodu tzw. ''wąskiego okna terapeutycznego'' występującego w przypadku terapii lekami przeciwnowotworowymi, małe zmiany...
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Biotransformation of Modified Benzylisoquinoline Alkaloids: Boldine and Berberine and In Silico Molecular Docking Studies of Metabolites on Telomerase and Human Protein Tyrosine Phosphatase 1B
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Meat Proteins as Dipeptidyl Peptidase IV Inhibitors and Glucose Uptake Stimulating Peptides for the Management of a Type 2 Diabetes Mellitus In Silico Study
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Towards trustworthy multi‐modal motion prediction: Holistic evaluation and interpretability of outputs
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The Round Robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Tree-based homogeneous ensemble model with feature selection for diabetic retinopathy prediction
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Hybrid Numerical-Analytical Approach for Force Prediction in End Milling of 42CrMo4 Steel
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The Influence of Input Data Standardization Method on Prediction Accuracy of Artificial Neural Networks
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Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field
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Self-Concept Clarity and Religious Orientations: Prediction of Purpose in Life and Self-Esteem
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Risk factors assessment and risk prediction models in lung cancer screening candidates
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Empirical verification in industrial conditions of fracture mechanics models of cutting power prediction
PublicationA comparison of experimental results obtained in the industrial conditions at a sawmill located in the Baltic Natural Forest Region (PL) and theoretical cutting power consumption forecasted with the models which include work of separation (fracture toughness) in addition to plasticity and friction has been described. In computations of cutting power consumption during rip sawing of Scots pine wood (Pinus sylvestris L.) values of...
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Failure mode prediction for composite structural insulated panels with MgO board facings
PublicationSandwich panels are readily used in civil engineering due to their high strength to weight ratio and the ease and speed of assembly. The idea of a sandwich section is to combine thin and durable facings with a light-weight core and the choice of materials used allows obtaining the desired behaviour. Panels in consideration consist of MgO (magnesium oxide) board facings and expanded polystyrene core and are characterized by immunity...
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Prediction of flow boiling heat transfer data for R134a, R600a and R290 in minichannels
PublicationIn the paper presented is the analysis of the results of calculations using a model to predict flow boiling of refrigerants such as R134a, R600a and R290. The latter two fluids were not used in development of model semiempirical correction. For that reason the model was verified with present experimental data. The experimental research was conducted for a full range of quality variation and a relatively wide range of mass velocity....
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Autocovariance based weighting strategy for time series prediction with weighted LS-SVM
PublicationPrzedstawiono metodę konstrukcji algorytmów z funkcją jądra, a także dwa algorytmy uzyskane poprzez użycie różnych funkcji straty. Zaproponowano kowariacyjną strategię ważenia algorytmów z kwadratową funkcją straty do problemu predykcji chaotycznych przebiegów czasowych.
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Gene Expression and Activity Profiling Reveal a Significant Contribution of Exo‐Phosphotransferases to the Extracellular Nucleotides Metabolism in HUVEC Endothelial Cells
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Alterations in the metabolism of tryptophan in patients with chronic hepatitis C six months after pegylated interferon-α 2a treatment
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Poor evidence for depolarization block but uncoupling of nigral from striatal dopamine metabolism after chronic haloperidol treatment in the rat
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ATP4A autoimmunity in pediatric patients with type 1 diabetes and its relationship to blood count, iron metabolism, and vitamin B12
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Cytochrome P450 izoenzymes involved in metabolism of antitumor 9-amino-1-nitroacridine derivatives, C-857, C-1748
PublicationPraca jest częścią szerszych badań zmierzających do poznania molekularnego mechanizmu metabolicznej transformacji przeciwnowotworowych pochodnych 9-amino-1-nitroakrydyny. W naszym zespole wyselekcjonowano pochodną nowej generacji, która w porównaniu z poprzednimi wykazała znacznie obniżoną toksyczność ogólną. W wyniku przeprowadzonych badań wykazaliśmy, że nowa pochodna jest znacznie mniej podatna na metabolizm katalizowany przez...
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Inulin-type fructans trigger changes in iron concentration and activity of bone metabolism biomarkers in blood plasma of growing pigs
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Reversed-Phase TLC and HPLC Retention Data in Correlation Studies with in Silico Molecular Descriptors and Druglikeness Properties of Newly Synthesized Anticonvulsant Succinimide Derivatives
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2
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Market Price Prediction of Property Rights from Gas Fired Plants or Plants with Total Installed CHP Source Capacity Below 1 MW until 2025
PublicationThe resolution on the Polish Energy Policy until 2030 (PEP-30) was adopted by the Council of Ministers on 10 November 2009. The document specifies the combined electricity and heat generation as a direction of pursuing the goals of energy efficiency, fuel and energy supply security, competitive fuel and energy markets development, and reduction of the energy sector’s environmental impact. PEP-30 assumes that electricity generation...
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Prediction of Peptide Retention at Different HPLC Conditions from Multiple Linear Regression Models
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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
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Prediction of cutting forces during micro end milling considering chip thickness accumulation
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Machine Learning Methods in Damage Prediction of Masonry Development Exposed to the Industrial Environment of Mines
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Prediction of Early Childhood Caries Based on Single Nucleotide Polymorphisms Using Neural Networks
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Prediction of the Segmental Pelvic Ring Fractures Under Impact Loadings During Car Crash
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Is the Identification of SNP-miRNA Interactions Supporting the Prediction of Human Lymphocyte Transcriptional Radiation Responses?
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Artificial Neural Network (ANN)-Based Voltage Stability Prediction of Test Microgrid Grid
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Prediction of Sorption Processes Using the Deep Learning Methods (Long Short-Term Memory)
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Prediction of the Mechanical Properties of P91 Steel by Means of Magneto-acoustic Emission and Acoustic Birefringence
PublicationThe paper describes an application of nondestructive volumetric magnetic and ultrasonic techniques for evaluation of the selected mechanical parameter variations of P91 steel having direct influence on its suitability for further use in critical components used in power plants. Two different types of deformation processes were carried out. First, a series of the P91 steel specimens was subjected to creep and second, one to plastic...
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Prediction of flow boiling heat transfer coefficient for carbon dioxide in minichannels and conventional channels
PublicationIn the paper presented are the results of calculations using authors own model to predict heat transfer coefficient during flow boiling of carbon dioxide. The experimental data from various resea rches were collected. Calculations were conducted for a full range of quality variation and a wide range of mass velocity. The aim of the study was to test the sensitivity of the in-house model. The results show the importance of taking into...
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Wind resource assessment and energy yield prediction for the small wind turbine on the Szubieniczne Hill
PublicationThe goal of this study is to preliminary assess the wind resources on the Szubieniczne Hill in order to predict the annual energy production for planned small wind turbine. The analyzed site is located close to the Gdańsk University of Technology campus, in complex urban environment additionally surrendered by forested hills. The assessment is based on Computational Fluid Dynamics simulations which allow to evaluate the wind energy potential...
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Prediction of flow boiling heat transfer coefficient for carbon dioxide in minichannels and conventional channels
PublicationIn the paper are presented the results of calculations using authors own model to predict heat transfer coefficient during flow boiling for carbon dioxide. The experimental data from various researches were scrutinised conducted for a full range of quality variation and wide range of mass velocity. The aim of the study was to test the sensitivity of the in-house model. The work shows the importance of taking into account surface...