Filtry
wszystkich: 6124
wybranych: 5123
-
Katalog
- Publikacje 5123 wyników po odfiltrowaniu
- Czasopisma 372 wyników po odfiltrowaniu
- Konferencje 31 wyników po odfiltrowaniu
- Osoby 86 wyników po odfiltrowaniu
- Projekty 10 wyników po odfiltrowaniu
- Laboratoria 1 wyników po odfiltrowaniu
- Kursy Online 51 wyników po odfiltrowaniu
- Wydarzenia 2 wyników po odfiltrowaniu
- Dane Badawcze 448 wyników po odfiltrowaniu
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: FTO PROTEIN INHIBITORS ANTI-OBESITY MOLECULAR DOCKING BINDING AFFINITY MOLECULAR DYNAMICS SIMULATION
-
From the pills to environment – Prediction and tracking of non-steroidal anti-inflammatory drug concentrations in wastewater
PublikacjaThe extend of environment pollution by pharmaceuticals is in a stage that required more automatic and integrated solutions. The non-steroidal anti-inflammatory drugs (NSAIDs) are one of the most popular pharmaceutical in the world and emerging pollutants of natural waters. The aim of the paper was to check the correlation of the sales data of selected NSAIDs (ibuprofen, naproxen, diclofenac) and their concentration in the WWTP...
-
Verification of the Analytical Traffic Model of a Multidomain IMS/NGN Using the Simulation Model
PublikacjaIn this paper we verify the previously proposed analytical traffic model of a multidomain Next Generation Network (NGN), which is standardized for delivering multimedia services based on the IP Multimedia Subsystem (IMS). For this reason a proper simulation model used, in which not theoretical queuing system models but the operation of real network elements and standardized call scenarios are accurately implemented. Consequently,...
-
t-SNE Highlights Phylogenetic and Temporal Patterns of SARS-CoV-2 Spike and Nucleocapsid Protein Evolution
PublikacjaWe propose applying t-distributed stochastic neighbor embedding to protein sequences of SARS-CoV-2 to construct, visualize and study the evolutionary space of the coronavirus. The basic idea is to explore the COVID-19 evolution space by using modern manifold learning techniques applied to evolutionary distances between variants. Evolutionary distances have been calculated based on the structures of the nucleocapsid and spike proteins.
-
Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublikacjaInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
-
Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublikacjaThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
-
The Multiplatform Environment for Simulation and Features Estimation of Mixed-Signal Devices
PublikacjaThe use of simulation laboratories is gaining popularity in thedomains of engineering programs. However, the experience in teaching showsthat the simulation itself is not very effective in didactic processes. Teachingprocesses in thefield of specialist subjects, designed for students of technicaluniversities, should be based on direct operations performed by the student onreal devices. At the same time, at the later stages of didactic...
-
Sulforaphane, a cruciferous vegetable-derived isothiocyanate, inhibits protein synthesis in human prostate cancer cells
Publikacja -
Simulation model for assessment of IMS-based NGN call processing performance
PublikacjaIn current telecommunications it is assumed that demands of information society for quickly delivered services will be satisfied by Next Generation Network (NGN) architecture, which includes IP Multimedia Subsystem (IMS) elements. To guarantee Quality of Service (QoS), proper design and dimensioning of NGN is absolutely necessary, for which appropriate models have to be proposed. As NGN architecture is very complicated, the most...
-
A structure and simulation-driven design of compact CPW-fed UWB antenna
PublikacjaIn this letter, a structure of a miniaturized ultra-wideband CPW-fed antenna and its design proce-dure are presented. The antenna is a modified version of the design previously proposed in the literature, with additional degrees of freedom introduced in order to improve the structure flexibility. The small size is achieved by executing a rigorous optimization procedure that consists of two stages: (i) smart random search carried...
-
Dynamics of Changes in The Urban Space
Publikacja -
Microarrays and Dynamics of Fluorescent Dyes
Publikacja -
Statistical Dynamics of the Rolling Mills
Publikacja -
Lattice dynamics of CuAu-orderedCuInSe2
Publikacja -
Fast bubble dynamics and sizing
PublikacjaSingle bubble sizing is usually performed by measuring the resonant bubble response using the Dual Frequency Ultrasound Method. However, in practice, the use of millisecond-duration chirp-like waves yields nonlinear distortions of the bubble oscillations. In comparison with the resonant curve obtained under harmonic excitation, it was observed that the bubble dynamic response shifted by up to 20 percent of the resonant frequency...
-
Dynamics of surface floating objects
PublikacjaPrezentowana praca stanowi wstępne rozeznanie w dziedzinie badań dynamiki konstrukcji pływających z zastosowaniem teorii procesu dyfuzji. W pracy rozpatrywane są modele fizyczne jednostek wielokadłubowych oraz modele matematyczne. Spośród modeli jednostek wielokadłubowych wyróżnia się modele deterministyczne oraz modele stochastyczne.
-
INFORMATION ABOUT DYNAMICS OF THE SEA SURFACE AS A MEANS TO IMPROVE SAFETY OF THE UNMANNED VESSEL AT SEA
PublikacjaOne of the fundamental states of the sea surface is its heave. Despite of years of the intense scientific inquiry, no clear understanding of the influence of this aspect on the dynamics of the sea environment has emerged. The separation of two nearby fluid elements which one may observed for example as a free floating of small objects on the sea surface (rescuers on the rough sea or small research vessels) is caused by the interaction...
-
Synthesis of novel, peptidic kinase inhibitors with cytostatic/cytotoxic activity
Publikacja -
Inhibitors of Matriptase‐2 Based on the Trypsin Inhibitor SFTI‐1
Publikacja -
Procognitive activity of nitric oxide inhibitors and donors in animal models
PublikacjaNitric oxide is a small gaseous molecule that plays important roles in the majority of biological functions. Impairments of NO-related pathways contribute to the majority of neurological disorders, such as Alzheimer’s disease (AD), and mental disorders, such as schizophrenia. Cognitive decline is one of the most serious impairments accompanying both AD and schizophrenia. In the present study, the activities of NO donors, slow (spermine...
-
Inhibitors of glucosamine-6-phosphate synthase as potential antifungal drugs.
PublikacjaPrzedstawiono stan obecny i perspektywy zastosowania inhibitorów enzymu syntazy GlcN-6-P jako leków skutecznych w leczeniu grzybic układowych. Używając metod modelowania molekularnego zaprojektowano struktury inhibitorów enzymu należących do dwóch grup strukturalnych: analogów glutaminy oraz analogów stanu przejściowego reakcji katalizowanej przez enzym. Opracowano metody syntezy pochodnych zoptymalizowanych inhibitorów, wykazujących...
-
Thermo-Mechanical Simulation of Underwater Friction Stir Welding of Low Carbon Steel
PublikacjaThis article investigates the flow of materials and weld formation during underwater friction stir welding (UFSW) of low carbon steel. A thermo-mechanical model is used to understand the relation between frictional heat phenomena during the welding and weld properties. To better understand the effects of the water environment, the simulation and experimental results were compared with the sample prepared by the traditional friction...
-
Water-mediated long-range interactions between the internal vibrations of remote proteins
PublikacjaIt is generally acknowledged that the mobility of protein atoms and the mobility of water molecules in the solvation layer are connected. In this article, we answer the question whether a similar interdependence exists between the motions of atoms of proteins separated by the hydration layers of variable thickness. The system consisted of a kinesin catalytic domain and a tubulin dimer. It was studied using molecular dynamics simulations....
-
Establishing the allosteric mechanism in CRISPR‐Cas9
PublikacjaAllostery is a fundamental property of proteins, which regulates biochemical information transfer between spatially distant sites. Here, we report on the critical role of molecular dynamics (MD) simulations in discovering the mechanism of allosteric communication within CRISPR‐Cas9, a leading genome editing machinery with enormous promises for medicine and biotechnology. MD revealed how allostery intervenes during at least three...
-
The particle method for simulation of self-organization phenomena
PublikacjaThe aim of the work was to design, implement, and use, in a number of experiments, an abstract software environment (an artificial world)suitable for modelling systems consisting of many moving and interactingobjects distributed in space. The environment, named DigiHive, is directed towards modeling of complex systems manifested by processes of self-organization, self-reproduction and self modifications. The environment is mainly...
-
Simulation model for evaluation of QoS routing algorithm in large packet networks
PublikacjaThe variety of traffic transferred via current telecommunication networks includes also voice, which should meet quality requirements. One of mechanisms, which can support QoS in current packet networks, is routing. There exist many routing proposals which should introduce the QoS into the network but practically they don't. Following paper presents the realization of simulation model for evaluation of a new routing algorithm DUMBRA...
-
Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics
PublikacjaThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...
-
Syntheses and DNA binding of new cationic porphyrin–tetrapeptide conjugates
Publikacja -
Binding of new cationic porphyrin–tetrapeptide conjugates to nucleoprotein complexes
Publikacja -
Copper binding by the cystatin C fragment. The role of histidine residues
Publikacja -
Obtaining ionic forces by the total-energy tight-binding method
PublikacjaZastosowanie metody ciasnego wiązania w sformułowaniu nieortogonalnym do obliczania sił atomowych w symulacji metodą dynamiki molekularnej pozwala na stworzenie modelu charakteryzującego się lepszą przenośnością, w porównaniu z potencjałami empirycznymi, którymi posługuje się tradycyjna dynamika molekularna. W niniejszej pracy przedstawiono szczegółowo sposób obliczenia pochodnych elementów macierzy Hamiltona i macierzy nakładania...
-
Carotenoid binding to proteins: Modeling pigment transport to lipid membranes
Publikacja -
The Influence of Binding Agents on Stiffness of Mineral-cement-emulsion Mixtures
PublikacjaThis paper attempts to determine the behavior of mineral-cement-emulsion mixture (MCE) under load, whether is it similar to asphalt mixtures (viscoelastic behavior) or to cement treated materials (elastic behavior). To answer this question nine mineral- cement-emulsion mixtures with different combinations of cement and emulsion content were tested in laboratory using Simple Performance Test (SPT). For each mixture stiffness moduli...
-
Optimising DNA binding to carbon nanotubes by non-covalent methods
Publikacja -
Metals and metal-binding ligands in wine: Analytical challenges in identification.
PublikacjaBackground Due to important role of metals in the vinification process as well as their impact on the human health, their content in this alcoholic beverage has been extensively studied by many researchers. It is already known that speciation of metals determines their toxicity and bioavailability as well as influences their activity. Understanding the chemistry and knowing the structures of metal complexes could have relevant...
-
Application of the finite element methods in long-term simulation of the multi-physics systems with large transient response differences
PublikacjaApplication of the Finite Element Method (FEM) and the Multibody Dynamics Method allows analyzing of complex physical systems. Complexity of the system could be related both to the geometry and the physical description of phenomenon. The metod is the excellent tool for analyzing statics or dynamics of the mechanical systems, and permits tracking of Multi Body System (MBS) transient response for the long-term simulations and application...
-
99mTc-Galacto-RGD2: A Novel 99mTc-Labeled Cyclic RGD Peptide Dimer Useful for Tumor Imaging
PublikacjaThis study sought to evaluate [99mTc(HYNIC-Galacto-RGD2)-(tricine)(TPPTS)] (99mTc-Galacto-RGD2: HYNIC = 6-hydrazinonicotinyl; Galacto-RGD2 = Glu[cyclo[Arg-Gly-Asp-D-Phe-Lys(SAA-PEG2-(1,2,3-triazole)-1-yl-4-ethylamide)]]2 (SAA = 7-amino-L-glycero-L-galacto-2,6-anhydro-7-eoxyheptanamide, and PEG2 = 3,6-dioxaoctanoic acid); and TPPTS = trisodium triphenylphosphine-3,3',3''-trisulfonate) as a new radiotracer for tumor imaging. Galacto-RGD2...
-
Genetic and Epigenetic Aspects of Atopic Dermatitis
PublikacjaAtopic dermatitis is a heterogeneous disease, in which the pathogenesis is associated with mutations in genes encoding epidermal structural proteins, barrier enzymes, and their inhibitors; the role of genes regulating innate and adaptive immune responses and environmental factors inducing the disease is also noted. Recent studies point to the key role of epigenetic changes in the development of the disease. Epigenetic modifications...
-
Molecularly targeted nanoparticles: an emerging tool for evaluation of expression of the receptor for advanced glycation end products in a murine model of peripheral artery disease
PublikacjaAbstract Background: Molecular imaging with molecularly targeted probes is a powerful tool for studying the spatio-temporal interactions between complex biological processes. The pivotal role of the receptor for advanced glycation end products (RAGE) in numerous pathological processes, aroused the demand for RAGE targeted imaging in various diseases. In the study, we evaluated the use of a diagnostic imaging agent for RAGE quantification...
-
Surface-enhanced Raman scattering (SERS) and tip-enhanced Raman scattering (TERS) in label-free characterization of erythrocyte membranes and extracellular vesicles at the nano-scale and molecular level
Publikacja -
Combined computational-experimental approach to predict blood–brain barrier (BBB) permeation based on “green” salting-out thin layer chromatography supported by simple molecular descriptors
Publikacja -
Effect of in vitro gastro‐pancreatic digestion on antioxidant activity of low‐molecular‐weight (<3.5 kDa) peptides from dry‐cured pork loins with probiotic strains of LAB
Publikacja -
Understanding the interactions between protein stabilizers and the peptide bond through the analysis of the volumetric and compressibility properties for the model systems
PublikacjaThis work confirms our earlier supposition, that volumetric and acoustic parameters for simple model proposed by us are directly related to stabilizing/destabilizing effect of osmolytes on proteins structure. The apparent molar volumes, V and the apparent molar isentropic compressions, KS,, of glycine and N,N,N –trimethylglycine (betaine) were determined from densities and speed of sound measurements in aqueous solution of N-methylacetamide...
-
Simulation Results of Dynamic Capacity Reallocation in Hierarchical Cell Structure of UMTS Network
PublikacjaIn the paper simulation results of dynamic capacity reallocation between different layers of hierarchical cell structure of UMTS network has been described. This approach for load management seems to be useful for improving the resource utilization perfmorance.
-
Possible uses of crisis situation aiding system in virtual world simulation
PublikacjaMany of the real world crisis situations like spreading fire, hostile units attack, flood, and etc. are commonly used in computer games where a simulation of extensive virtual world is crucial. This paper presents some ideas for possible uses of existing crisis situation aiding system in such environments. Moreover it shows how this kind of system can be taught during subsequent games with a large number of players.
-
Evolutionary Sets of Safe Ship Trajectories: simulation results
PublikacjaThe Evolutionary Sets of Safe Ship Trajectories is a method solving multi-ship encounter situations. For given positions and motion parameters the method finds a near optimal set of safe trajectories of all ships involved in an encounter. The paper briefly presents foundations of the method and focuses on simulation results for selected test cases based on the Baltic Basin. The computer simulations cover both open waters and restricted...
-
Simulation of influence of the air gap asymmetryon voltage waveforms of a synchronous machine
PublikacjaResults of simulation of a synchronous generator with the air gap asymmetry characterised by eccentricity are presented in the paper. The Lagrange's energy method has been used in derivation of the model equations. Analysis of influence of the air gap asymmetry on characteristics of self and mutual inductances of windings, as well as analysis of induced voltage waveforms as a function of the air gap asymmetry have been performed....
-
Targeting DNA Topoisomerase II in Antifungal Chemotherapy.
PublikacjaTopoisomerase inhibitors have been in use clinically for the treatment of several diseases for decades. Although those enzymes are significant molecular targets in antibacterial and anticancer chemotherapy very little is known about the possibilities to target fungal topoisomerase II (topo II). Raising concern for the fungal infections, lack of effective drugs and a phenomenon of multidrug resistance underlie a strong need to expand...
-
Thermodynamics aspects of interactions between acridine derivatives and DNA
PublikacjaDNA is a molecular target for many anticancer and antiviral drugs. Therefore, a clear understanding of the interaction of small molecules with DNA is important in the rational design of ligands that can bind to DNA with high affinity and selectivity. There are several methods to investigate interactions between drug and DNA. Some of them measure changing into DNA structures, such as lengthening and untwisting of helix of DNA. Other...
-
Homoisocitrate dehydrogenase from Candida albicans: properties, inhibition, and targeting by an antifungal pro-drug
PublikacjaThe LYS12 gene from Candida albicans, coding for homoisocitrate dehydrogenase was cloned and expressed as a His-tagged protein in Escherichia coli. The purified gene product catalyzes the Mg2+- and K+-dependent oxidative decarboxylation of homoisocitrate to alpha-ketoadipate. The recombinant enzyme demonstrates strict specificity for homoisocitrate. SDS-PAGE of CaHIcDH revealed its molecular mass of 42.6±1 kDa, while in size-exclusion...
-
Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublikacjaHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...