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Wyniki wyszukiwania dla: MOLECULAR DYNAMICS METHOD
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Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach
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Shape resonance of H[sub 2][sup −] anion stabilized in a molecular trap
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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublikacjaW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...
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Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies
PublikacjaJest to praca przeglądowa obejmująca krytyczną analizę danych dotyczących oddziaływania amfoterycyny B (AmB) i jej wybranych, mniej toksycznych pochodnych, z błonami lipidowymi. Amfoterycyna B jest antybiotykiem przeciwgrzybowym ale ze względu na jej toksyczność trwają prace nad modyfikacjami chemicznymi tego związku. Celem molekularnym dla tego antybiotyku jest błona lipidowa i dlatego różnicowe powinowactwo AmB i jej pochodnych...
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Measurements of inelastic electron scattering from molecular oxygen at high scattering angles
PublikacjaBadano procesy wzbudzenia oscylacyjnego poziomów v = 1-9 stanu podstawowego X3 sigma g oraz v=0 stanu wzbudzonego a1 delta g cząsteczki tlenu dla energii 10eV w przedziale kąta rozproszenia od 90 do 180 st. Dla pomiaru v=1 stanu X3 sigma g wyznaczono różniczkowy przekrój czynny na wzbudzenie. W pomiarach wykorzystano podwójny hemisferyczny spektrometr elektrostatyczny wykorzystujący nowozaprojektowane źródło lokalnego pola magnetycznego.
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Molecular Diagnosis of COVID-19 Sudden and Unexplained Deaths: The Insidious Face of the Pandemic
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Molecular evidence for the occurrence of the lichen genus Biatora (Lecanorales, Ascomycota) in the Southern Hemisphere
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Neotypification of Protoparmeliopsis garovaglii and molecular evidence of its occurrence in Poland and South America
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MOLECULAR AND QUALITY MEAT CHARACTERISTICS OF NEW FISH SPECIES INTRODUCED TO THE EU MARKET
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Dependence of the heterosis effect on genetic distance, determined using various molecular markers
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Synthesis, biological activity and molecular modelling studies of tricyclic alkylimidazo-, pyrimido- and diazepinopurinediones
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Superconducting state in the atomic metallic hydrogen just above the pressure of the molecular dissociation
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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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Crystal and molecular structure of lithium iodide complex of 13-membered azoxycrown ether
PublikacjaPublikacja zawiera uzupełniające informacje do znalezionej wcześniej korelacji między typem kationu, rozmiarem makrocyklu i cechami struktury krystalicznej kompleksów a selektywnością elektrod membranowych dotowanych odpowiednimi azo- lub azoksykoronami. Ustalono strukturę krystaliczną i molekularną kompleksu 13-członowej azoksykorony (L13-O) z jodkiem litu. Stechiometria kompleksu jest 1:1. Kryształ zbudowany jest z hydratowanych...
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models.
PublikacjaOpisano proces kondensacji pary wodnej w ujĘciu fenomenologicznymi dynamiczno-molekularnym. Wczesne fazy wzrostu klastra opisano w ramach klasycznej teorii Hertza-Knudsena. Obszernie przedstawiono wyniki symulacji dynamiczno-molekularnych zjawiska kondensacji pary wodnej z jednorodnej fazy gazowej (przebieg powstawania małych klastrów H2O i szybkość wzrostu klastrów ponadkrytycznych).
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A study of electron impact excitation of molecular oxygen at a scattering angle of 180 st.
PublikacjaZbadano wzbudzenie tlenu cząsteczkowego w zderzeniu z elektronem dla rozproszenia do tyłu, pod kątem 180 st. Do pomiarów wykorzystano nowe źródło lokalnego pola magnetycznego o geometrii stożkowej.
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Method of sum of power losses as a way for determining the ki coefficients of energy losses in hydraulic motor
PublikacjaThis paper shows application of the method of sum of power losses to determining energy losses which occur in hydraulic rotary motor in situation when not all laboratory data are at one’s disposal or when no use is made of data contained in catalogue charts. The method makes it possible to determine the coefficients ,ki , of energy losses occurring in the motor. The method of sum of power losses is based on the approach proposed...
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FLUID BED COATING OF MINITABLETS AND PELLETS WITH OPTIMIZATION OF THE PROCESS BASED ON TAGUCHI METHOD
PublikacjaSmall particles like pellets are coated in fluid bed systems. This method can be also feasible for minitablets but the selection of optimal process parameters is complicated. The aim of the research was to optimize the coating process for minitablets and to compare the conditions required for pellets. Minimum fluidization velocities (umf) for 2.0 and 2.5 mm minitablets and 0.7-0.8 mm or 1.0-1.25 mm pellets were determined experimentally....
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The new method of ZnIn2S4 synthesis on the titania nanotubes substrate with enhanced stability and photoelectrochemical performance
PublikacjaThe new method of ZnIn2S4 synthesis on the titania nanotubes substrate with enhanced stability and photoelectrochemical performance
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A method of self-testing of an analog circuit terminated by an ADC in electronic embedded systems controlled by microcontrollers
PublikacjaA new self-testing method of analog parts terminated by an ADC in electronic embedded systems controlled by microcontrollers is presented. It is based on a new fault diagnosis method based on on-line (i.e. during measurement), transformations of voltage samples of the time response of a tested part to a square pulse - onto localization curves placed in the measurement space. The method can be used for fault detection and single...
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Method development and validation for optimized separation of the major polyphenolics in propolis extracts using GC-MS method
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The effect of sunscreen 4‐methylbenzylidene camphor in different and reproductive models, its bioaccumulation and molecular effects on ligand‐receptor interaction, and protein expression
Publikacja4-Methylbenzylidene camphor (4-MBC) is a photo-absorbing UV filter prevalently used in cosmetics, which can be absorbed into circulation and cause systemic effects. 4-MBC is continued to be released in the environment despite the growing knowledge about its bioaccumulation and endocrine disrupting effects. Previous reviews have mentioned UV-filter together but this review considers 4-MBC alone, due to its prevalence and concerning...
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Alternative diagnostic method applied on marine diesel engines having limited monitoring susceptibility
PublikacjaThe paper presents a method of technical state evaluation of working spaces of a marine diesel engine at the limited control susceptibility. The method foresees making a diagnosis of the engine's working spaces on the basis of measurements of the exhaust gas pressure in the channels connecting engine cylinders with the turbocharger's turbine. Diagnostic measurements are carried out at representative (comparative) steady loads depending...
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Alternative diagnostic method applied on marine diesel engines having limited monitoring susceptibility
PublikacjaThe paper presents a method of technical state evaluation of working spaces of a marine diesel engine at the limited control susceptibility. The method foresees making a diagnosis of the engine's working spaces on the basis of measurements of the exhaust gas pressure in the channels connecting engine cylinders with the turbocharger's turbine. Diagnostic measurements are carried out at representative (comparative) steady loads depending...
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A non-uniform real-time speech time-scale stretching method
PublikacjaAn algorithm for non-uniform real-time speech stretching is presented. It provides a combination of typical SOLA algorithm (Synchronous Overlap and Add ) with the vowels, consonants and silence detectors. Based on the information about the content and the estimated value of the rate of speech (ROS), the algorithm adapts the scaling factor value. The ability of real-time speech stretching and the resultant quality of voice were...
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Fully scalable one-pot method for the production of phosphonic graphene derivatives
PublikacjaGraphene oxide was functionalized with simultaneous reduction to produce phosphonated reduced graphene oxide in a novel, fully scalable, one-pot method. The phosphonic derivative of graphene was obtained through the reaction of graphene oxide with phosphorus trichloride in water. The newly synthesized reduced graphene oxide derivative was fully characterized by using spectroscopic methods along with thermal analysis. The morphology...
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Space-Time Conservation Method applied to numerical solution of water hammer equations
PublikacjaArtykuł poświęcony jest metodzie czasoprzestrzennych objętości skończonych (STC) zastosowanej do przypadku uderzenia hydraulicznego w stalowym przewodzie pracującym pod ciśnieniem. Metoda STC ze względu na swoje własności numeryczne - m.in. wysoką dokładność - może być interesującą alternatywą dla tradycyjnych metod numerycznych, szczególnie w przypadku, gdy efekty numeryczne mają bardzo silny wpływ na rozwiązanie, tym samym utrudniając...
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Analysing the potential for application of the phase shift method in endoscopic examination of marine engines
PublikacjaThe article presents theoretical principles of image processing in digital endoscopy which makes use of a miniaturised spectral scanner “PhaseProbe” designed by General Inspection Technologies LP, the producer of the measuring videoendoscope Everest XLG3. The technology of optoelectronic 3D mapping of the examined surface, which consists in measuring the phase shift between the emitted and reflected light waves, is briefly described....
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Green, simple analytical method for total biogenic amines content determination in wine using spectrophotometry
PublikacjaA simple, green and equitable procedure for total biogenic amines (BAs) content determination was developed. The scientific novelty lies in the use of commercially available S 0378 dye, the reaction of which with BAs results in a colour change of the solution. Sample preparation and analysis were simplified to make the method suitable for routine analyses even in resource-scarce settings. The optimization of the method was carried...
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A Fast Method of Separation of the Noisy Background from the Head-Cross Section in the Sequence of MRI Scans
PublikacjaThe paper presents a new method of removing the noisy background from the sequence of magnetic resonance imaging (MRl) scans. The sequence of scans is required in order to monitor a passage of a contrast agent through the brain tissue. The scans contain the noisy head-cross data and also the noisy background data. The latter has to be removed and excluded from a further analysis. It is achieved by applying some basic morphological...
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A universal NDT method for examination of low energy impact damage in CFRP with the use of TLC film
PublikacjaThe article presents an attempt to use a sheet of laminated thermochromic liquid crystal film (TLC film) for non-destructive testing of the impact damage (energy values: 1J, 2J, 3J and 4J) in carbon fibre-reinforced polymer (CFRP). This is a new, alternative NDT approach based on the thermo-optical effect. The main advantages of this method are a) the low cost of TLC film, b) the low cost of recording devices due to the usage of...
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The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
PublikacjaBy the reaction of benzoyl chloride, potassium isothiocyanate and the appropriate halogenoaniline, i.e. 2/3/4-(bromo/iodo)aniline, we have obtained five new 1-benzoyl-3-(halogenophenyl)thioureas, namely, 1-benzoyl-3-(2-bromophenyl)- thiourea and 1-benzoyl-3-(3-bromophenyl)thiourea, C14H11BrN2OS, and 1-benzoyl-3-(2-iodophenyl)thiourea, 1-benzoyl-3-(3-iodophenyl)thiourea and 1-benzoyl-3-(4-iodophenyl)thiourea, C14H11IN2OS. Structural...
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Experimental validation of the rolling resistance measurement method including updated draft standard
PublikacjaThe main objective of ROSANNE is the harmonisation and standardisation of the measurement of skid resistance, noise emission and rolling resistance of road pavements. Regarding rolling resistance characterisation, a draft for standardization of a harmonized procedure for classification of road surfaces across Europe has been prepared within WP3 (deliverable 3.5). The procedure deals with the direct measurement on real roads of...
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Application of Msplit method for filtering airborne laser scanning data sets to estimate digital terrain models
PublikacjaALS point cloud filtering involves the separation of observations representing the physical terrain surface from those representing terrain details. A digital terrain model (DTM) is created from a subset of points representing the ground surface. The accuracy of the generated DTM is influenced by several factors, including the survey method used, the accuracy of the source data, the applied DTM generation algorithm, and the survey...
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The new version of contact-less method for localisation of catenary contact wire – theoretical assumption
PublikacjaThis article presents the theoretical basic of a new version of contact-less method for localising the catenary contact wires, using the advanced video techniques and image analysis. So far, contact line diagnostic systems exploited nowadays uses the contact measuring methods with special design current collector. This solutions make it impossible to measure the contact line geometry in a static way. The proposed measurement method...
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Structure and properties comparison of poly(ether-urethane)s based on nonpetrochemical and petrochemical polyols obtained by solvent free two-step method
PublikacjaThe application of thermoplastic polyurethanes (TPU) is becoming more and more extensive, and the decreasing of used petrochemical monomers and reduction of energy for the polymerization and processing processes is getting increasingly important. In this paper, we confirmed the positive influence of high bio-based monomers contents (by replacing petrochemical polyol and glycol by bio-based counterparts) on processing and properties...
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Novel Interpolation Method of Multi-DFT-Bins for Frequency Estimation of Signal with Parameter Step Change
PublikacjaThe IpDFT(Interpolation Discrete Fourier Trans-form) method is one of the most commonly used non-parametric methods. However, when a parameter (frequency, amplitude or phase) step changes in the DFT period, the DFT coefficients will be distorted seriously, resulting in the large estimation error of the IpDFT method. Hence, it is a key challenge to find an IpDFT method, which not only can eliminate the effect of the step-changed...
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A novel calibration method for RSS-based DoA estimation using ESPAR antennas
PublikacjaIn this paper, we introduce a new calibration method that can successfully be used in direction of arrival (DoA) estimation using electronically steerable parasitic array radiator (ESPAR) antennas and employing power-pattern cross-correlation (PPCC) algorithm, which relies on received signal strength (RSS) values recorded at the antenna output port. Instead of the commonly used two-step approach, during which ESPAR antenna calibration...
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Novel Cold Crucible Ultrasonic Atomization Powder Production Method for 3D Printing
Publikacja: A new powder production method has been developed to speed up the search for novel alloys for additive manufacturing. The technique involves an ultrasonically agitated cold crucible installed at the top of a 20 kHz ultrasonic sonotrode. The material is melted with an electric arc and undergoes pulverization with standing wave vibrations. Several different alloys in various forms, including noble and metallic glass alloys, were...
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A testing method of analog parts of mixed-signal electronic systems equipped with the IEEE1149.1 test bus
PublikacjaA new solution of the JTAG BIST for testing analog circuits in mixed-signal electronic microsystems controlled by microcontrollers and equipped with the IEEE1149.1 bus is presented. It is based on a new fault diagnosis method in which an analog circuit is stimulated by a buffered signal from the TMS line, and the time response of the circuit to this signal is sampled by the ADC equipped with the JTAG. The method can be used for...
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New Method for Increasing Precision of Position Estimation in Hybrid Inertial Navigation System
PublikacjaIn article new method for increasing precision of position estimation by using inertial navigation in hybrid localization system with reduced number of reference nodes for radio distance measurements was presented. Measuring campaign using developed measuring stand were carried out to verify precision of position estimation of moving person in indoor environment.
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Low-coherence method of hematocrit measurement
PublikacjaW artykule opisano niskokoherencyjna metodę pomiaru hematokrytu krwi.
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Multicriteria optymization method for yacht design
PublikacjaArtykuł dotyczy optymalizacji wielokryterialnej projektowania innowacyjnego systemu jachtowego w taki sposób by osiągnąć polepszone zachowanie dynamiczne w dowolnych warunkach nawigacji morskiej. W artykule skoncentrowano się na komputerowej symulacji, modelowaniu i optymalizacji matematycznego modelu jachtu w różnych warunkach żeglowania w celu poprawy zdolności manewrowania i zwiększenia szybkości. Przeprowadza się symulację...
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Locking effects in finite elemnt method
PublikacjaIn the present paper a short survey of the locking effect literature is given. As this area of scientific research is still developing, the author of the paper restricted it to about 70 papers. This study is proposed as an introduction to the comprehensive investigation of locking effects.
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An integrated method for security protocols analysis
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The method of quantitative automatic metallographic analysis
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HVRmonitor - data replication monitoring method
PublikacjaArtykuł ten opisuje system służący monitorowaniu replikacji danych, wytworzony w firmie Lufthansa Systems Poland. W artykule przedstawiono w sposób ogólny wiele istotnych problemów a następnie przedstawiono w sposób bardziej szczegółowy ich rozwiązanie. Artykuł opisuje również architekturę wytworzonego systemu, jego funkcjonalność i interfejs, omawia w sposób zwięzły zasady jego działania i wskazuje jak wdrożone rozwiązania mogą...
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A comparison method for ordinary differential systems
PublikacjaPraca dotyczy problemów istnienia i jednoznaczności rozwiązań oraz ciągłej zależności dla układów równań różniczkowych w tym i z opóźnionymi argumentami z warunkami początkowymi oraz brzegowymi typu okresowego. Przy odpowiednich założeniach, stosując teorię nierówności różniczkowych, pokazano, że odpowiednia funkcja porównawcza może być ujemna, co ma istotne znaczenie w dalszych badaniach. Pokazano, że konstruowany ciąg iteracji...
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Eigenchannel method in quantum potential scattering.
PublikacjaUogólniono metodę fal cząstkowych na przypadek kwantowego rozpraszania na dowolnym potencjale krótkozasięgowym. Zaprezentowano formalizm ogólny oraz jego zastosowania do cząstek Schrodingera i Duraca.