Search results for: IN SILICO METABOLISM PREDICTION
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The Distribution of Glucosinolates in Different Phenotypes of Lepidium peruvianum and Their Role as Acetyl- and Butyrylcholinesterase Inhibitors—In Silico and In Vitro Studies
PublicationThe aim of the study was to present the fingerprint of different Lepidium peruvianum tu- ber extracts showing glucosinolates-containing substances possibly playing an important role in preventinting dementia and other memory disorders. Different phenotypes of Lepidium peruvianum (Brassicaceae) tubers were analysed for their glucosinolate profile using a liquid chromatograph coupled with mass spectrometer (HPLC-ESI-QTOF-MS/MS platform)....
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Interspecific allelopathy in cyanobacteria: Cylindrospermopsin and Cylindrospermopsis raciborskii effect on the growth and metabolism of Microcystis aeruginosa
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The role of cytochrome P450 reductase (CPR) in metabolism of potent nitroacridine antitumor, C-1748
PublicationCelem pracy było poznanie molekularnego mechanizmu działania pochodnych 9-amino-1-nitroakrydyny. Zbadano przemiany enzymatyczne tych związków w różnych układach enzymatycznych: I. Szczurza frakcja mikrosomalna z reduktazą cytochromu P450. II. Rekombinantowe izoenzymy cytochromu P450 z wysokim i niskim poziomem reduktazy cytochromu P450. III. Frakcje mikrosomalne dzikiego typu oraz pozbawione genu kodującego reduktazę cytochromu...
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Characterization of In Vitro and In Vivo Metabolism of Antazoline Using Liquid Chromatography-Tandem Mass Spectrometry
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Correction: Corrigendum: Modulation of expression of genes involved in glycosaminoglycan metabolism and lysosome biogenesis by flavonoids
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Correction: Corrigendum: Modulation of expression of genes involved in glycosaminoglycan metabolism and lysosome biogenesis by flavonoids
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Skin microbiota metabolism of natural products from comfrey root (Symphytum officinale L.)
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Injury Prediction Models for Onshore Road Network Development
PublicationIntegrating different modes of transport (road, rail, air and water) is important for port cities. To accommodate this need, new transport hubs must be built such as airports or sea ports. If ports are to grow, they must be accessible, a feature which is best achieved by building new roads, including fast roads. Poland must develop a network of fast roads that will provide good access to ports. What is equally important is to upgrade...
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Mass transfer in Spinning Fluids Reactor — Measurement and prediction
PublicationSpecific mass transfer area (a) and overall volumetric mass transfer coefficient (kLa) are mass transfer parameters commonly used in the description and comparison of various chemical reactors’ constructions. Determination of these was performed for Spinning Fluids Reactor (SFR). Sodium sulfite oxidation in the presence of cobalt ion catalyst was used for the determination of a and kLa. The a and kLa were successful predicted....
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Theoretical pKa prediction of O-phosphoserine in aqueous solution
PublicationSprawdzono zdolność modelu polaryzowalnego kontinuum (PCM) do przewidywania wartości pKa w roztworze wodnym dla O-fosfoseryny (P-Ser). Obliczenia przeprowadzono w ramach teorii funkcjonału gęstości (DFT) przy użyciu funkcjonałów B3LYP i M06-2X oraz baz 6-31+G(d) and 6-31+G(d,p). Obliczenia na poziomie B3LYP/6-31+G(d,p) przy użyciu modelu solwatacji SMD zapewniają doskonałą zgodność z doświadczeniem, pod warunkiem uwzględnienia...
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ECG-based prediction of ventricular fibrillation by means of the PCA
PublicationA Sudden Cardiac Death (SCD) is a death resulting from cardiac failure with no significant symptoms earlier than one hour before occurrence. It is the cause of for approximately 400000 deaths per year in United States and millions of deaths worldwide. The proposed system, including two-stage algorithm and wearable diagnostic device allows for SCD risk estimation and continuous monitoring of high risk patients. A single channel...
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Prediction of ringing frequencies in DC-DC boost converter
PublicationIn the paper ringing phenomena in a DC-DC boost converter is presented. The ringing frequency is calculated using an analytical formula. The necessary wide band models of MOSFET transistor, passive and parasitics are described. The calculation results are verified in simulation and laboratory tests.
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Parametric method of preliminary prediction of the ship operating costs.
PublicationPraca zawiera rezultaty badań dotyczących parametrycznej metody prognozowania kosztów eksploatacji statku - przydatnej w metodyce projektowania wstępnego okrętów. Przedstawiono założenia koncepcyjne i teoretyczne metody, dokonano identyfikacji czynników istotnie wpływających na koszt eksploatacji statku, z uwzględnieniem czasowej wartości pieniądza. Opracowano wzory służące do wyznaczania składników kosztów eksploatacji statku...
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Prediction of the motion stability of three-wheel mobile robot
PublicationW pracy rozważa się projektowanie i realizację trajektorii ruchu 3-kołowego robota mobilnego, z uwzględnieniem jego kinematyki i dynamiki. Kołowe roboty mobilne zaliczane są do układów nieholonomicznych, w przypadku których przyjęte ograniczenia (więzy) dotyczą chwilowych prędkości punktów charakterystycznych układu. Model matematyczny obiektu przedstawiono w postaci skończonej liczby nieliniowych równań różniczkowych kinematyki...
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Parametric method of preliminary prediction of the ship building costs
PublicationPrzedstawiono założenia koncepcyjne i teoretyczne metody, opracowano wzory aproksymacyjne służące odpowiednio do wyznaczania jednostkowych kosztów budowy: kadłuba, wyposażenia okrętowego oraz siłowni z układem napędowym. Utylitarny charakter metody zilustrowano przykadami prognoz kosztów budowy czterech różnych typów statków zaprojektowanych w ramach projektu EUREKA BALTECOLOGICALSHIP E!3065.
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A simple method for prediction of hydrodynamics forces on a pod propulsor
PublicationReferat przedstawia prostą metodę teoretyczną wyznaczania sił hydrodynamicznych na pędniku podowym przy różnych współczynnikach posuwu i kątach dryfu. Metoda jest oparta na elementarnej teorii płatów nośnych i na teorii pędnika idealnego. metoda ta jest podstawą dla programu komputerowego pozwalającego wyznaczać napór, siłę boczną i moment dla pędnika o znanej geometrii i znanych parametrach pracy. Rezultaty obliczeń są porównane...
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Comparative study on total nitrogen prediction in wastewater treatment 1 plant and effect of various feature selection methods on machine learning algorithms performance
PublicationWastewater characteristics prediction in wastewater treatment plants (WWTPs) is valuable and can reduce the number of sampling, energy, and cost. Feature Selection (FS) methods are used in the pre-processing section for enhancing the model performance. This study aims to evaluate the effect of seven different FS methods (filter, wrapper, and embedded methods) on enhancing the prediction accuracy for total nitrogen (TN) in the WWTP...
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublicationMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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Machine learning-based prediction of seismic limit-state capacity of steel moment-resisting frames considering soil-structure interaction
PublicationRegarding the unpredictable and complex nature of seismic excitations, there is a need for vulnerability assessment of newly constructed or existing structures. Predicting the seismic limit-state capacity of steel Moment-Resisting Frames (MRFs) can help designers to have a preliminary estimation and improve their views about the seismic performance of the designed structure. This study improved data-driven decision techniques in...
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DRUG METABOLISM AND DISPOSITION
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DRUG METABOLISM REVIEWS
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublicationThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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High temperature corrosion evaluation and lifetime prediction of porous Fe22Cr stainless steel in air in temperature range 700–900 °C
PublicationThis work describes a high temperature corrosion kinetics study of ~30% porous Fe22Cr alloys. The surface area of the alloy (~0.02 m2 g-1) has been determined by tomographic microscopy. The weight gain of the alloys was studied by isothermal thermogravimetry in the air for 100 hours at 700 - 900 °C. Breakaway oxidation was observed after oxidation at 850 °C (~100 hours) and 900 °C (~30 hours). The lifetime prediction shows the...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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In silico studies and β-cyclodextrin mediated neutral synthesis of 4-oxo-4,5,6,7-tetrahydroindoles of potential biological interest
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Taste-active peptides and amino acids of pork meat as components of dry-cured meat products: An in-silico study
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PREDICTION OF SHIP MOTIONS IN IRREGULAR WAVES BASED ON RESPONSE AMPLITUDE OPERATORS EVALUATED EXPERIMENTALLY IN NOISE WAVES
PublicationThe most common methods for predicting ship roll motions in a specified sea state are direct measurements of motions in a representative irregular wave realisation (time domain) or calculations of motions from response amplitude operators (RAOs) in the frequency domain. The result of the first method is valid only for the tested sea state, whilst the second method is more flexible but less accurate. RAO-based predictions are calculated...
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DIABETES-METABOLISM RESEARCH AND REVIEWS
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International Journal of Endocrinology and Metabolism
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Journal of Drug Metabolism & Toxicology
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Expert Review of Endocrinology & Metabolism
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Mediterranean Journal of Nutrition and Metabolism
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Indian Journal of Endocrinology and Metabolism
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Therapeutic Advances in Endocrinology and Metabolism
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Iranian Journal of Endocrinology and Metabolism
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Annals of Pediatric Endocrinology and Metabolism
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Journal of Nutrition and Intermediary Metabolism
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Turkish Journal of Endocrinology and Metabolism
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Drug Metabolism and Personalized Therapy
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JOURNAL OF CLINICAL ENDOCRINOLOGY & METABOLISM
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Chinese Journal of Endocrinology and Metabolism
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JOURNAL OF BONE AND MINERAL METABOLISM
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JOURNAL OF PEDIATRIC ENDOCRINOLOGY & METABOLISM
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International Journal of Diabetes and Metabolism
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Photosynthesis and sucrose metabolism in leaves of Arabidopsis thaliana aos, ein4 and rcd1 mutants as affected by wounding
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Metabolism of 1α-hydroxyvitamin D3 by cytochrome P450scc to biologically active 1α,20-dihydroxyvitamin D3
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Enhanced Activity of P4503A4 and UGT1A10 Induced by Acridinone Derivatives C-1305 and C-1311 in MCF-7 and HCT116 Cancer Cells: Consequences for the Drugs’ Cytotoxicity, Metabolism and Cellular Response
PublicationActivity modulation of drug metabolism enzymes can change the biotransformation of chemotherapeutics and cellular responses induced by them. As a result, drug-drug interactions can be modified. Acridinone derivatives, represented here by C-1305 and C-1311, are potent anticancer drugs. Previous studies in non-cellular systems showed that they are mechanism-based inhibitors of cytochrome P4503A4 and undergo glucuronidation via UDP-glucuronosyltranspherase...
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Prediction of Pile Shaft Capacity in Tension Based on Some Direct CPT Methods—Vistula Marshland Test Site
PublicationThis paper presents different CPT methodologies for the prediction of the pile shaft resistance in tension on the example of three reference screw piles of the Jazowa test site in Poland. The shaft capacity was estimated based on the cone resistance, sleeve friction and CPT excess pore water pressure. Three piles with diameter 0.4 m and the length varied from 8 m to 14.6 m were subjected to static load tests in tension. Their...
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Time window based features extraction from temperature modulated gas sensors for prediction of ammonia concentration
PublicationElectronic gas recognition systems, in literature commonly referred as electronic noses, enable the recognition of a type and a concentration of various volatile compounds. Typical electronic gas-analyzing device consists of four main elements, namely, gas delivery subsystem, an array of gas sensors, data acquisition and power supply circuits and data analysis software. The commercially available metal-oxide TGS sensors are widely...
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Effective Air Quality Prediction Using Reinforced Swarm Optimization and Bi-Directional Gated Recurrent Unit
PublicationIn the present scenario, air quality prediction (AQP) is a complex task due to high variability, volatility, and dynamic nature in space and time of particulates and pollutants. Recently, several nations have had poor air quality due to the high emission of particulate matter (PM2.5) that affects human health conditions, especially in urban areas. In this research, a new optimization-based regression model was implemented for effective...