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Search results for: molecular motors
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Molecular dynamics studies of polyurethane nanocomposite hydrogels
PublicationPolyurethane PEO-based hydrogels have a broad range of biomedical applicability. They are attractive for drug-controlled delivery systems, surgical implants and wound healing dressings. In this study, a PEO based polyurethane hydrogels containing Cloisite R 30B, an organically modified clay mineral, was synthesized. Structure of nanocomposite hydrogels was determined using XRD technique. Its molecular dynamics was studied by means...
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Molecular basis of TRF proteins and their interactions with peptides
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Molecular Modelling of the Neurophysin II/Vasopressin Complex
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Molecular dynamics simulation of polymerization of p-xylylene
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Comment on “Molecular Origin of Anticooperativity in Hydrophobic Association”
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Molecular simulation study of cooperativity in hydrophobic association
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Molecular Modeling of the Neurohypophyseal Receptor/Atosiban Complexes
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Multigap superconducting state in molecular metallic hydrogen
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MOLECULAR SIMULATIONS OF NEOCARZINOSTATIN CHROMOPHORE RELEASE MECHANISM
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A ferrocene-templated Pd-bearing molecular reactor
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Molecular structures of two E-azobenzocrown ethers
PublicationRentgenowska analiza strukturalna monokryształów posłużyła do scharakteryzowania struktury izomerów E dwóch azobenzokoron: 13- i 16-członowej. Oba związki krystalizują w układzie jednoskośnym. W komórce elementarnej, w każdym przypadku znajdują się dwie niezależne cząsteczki, różniące się konformacją, szczególnie łańcucha eterowego. Porównując konformacje ''wolnych'' makrocykli z konformacjami ich kompleksów z jonami metali wskazano,...
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Molecular Biology of Meniscal Healing: A Narrative Review
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Molecular level interpretation of excess infrared spectroscopy
PublicationInfrared (IR) spectroscopy is an invaluable tool in studying intermolecular interactions in solvent mixtures. The deviation of the IR spectrum of a mixture from the spectra of its pure components is a sensitive measure of the non-ideality of solutions and the modulation of intermolecular interactions introduced by mutual influence of the components. Excess IR spectroscopy, based on the established notion of excess thermodynamic...
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Molywood: streamlining the design and rendering of molecular movies
PublicationMotivation High-quality dynamic visuals are needed at all levels of science communication, from the conference hall to the classroom. As scientific journals embrace new article formats, many key concepts – particularly in structural biology – are also more easily conveyed as videos than still frames. Notwithstanding, the design and rendering of a complex molecular movie remain an arduous task. Here, we introduce Molywood, a robust...
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Professor Edward Borowski and molecular aspects of chemotherapy.
PublicationPrzedstawiono sylwetkę naukową i krótkie podsumowanie najważniejszych osiągnięć badawczych profesora Edwarda Borowskiego. Profesor Borowski jest autorem lub współautorem około 800 publikacji naukowych oraz 70 patentów, a jego prace były cytowane ponad 1100 razy. Do najważniejszych osiągnięć prof. Borowskiego i Jego zespołu naukowego należy zaliczyć: izolację i charakterystykę antybiotyków peptydowych, tetainy i edeiny oraz antybiotyków...
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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Model and laboratory simulation of a induction motor for diagnostic purposes
PublicationStatistics say that bearings are this part of induction motors which is most susceptible to damage. The equipment employed for bearing diagnostics usually makes use of vibrations as the criterion for technical condition of the bearings. A faulty bearing results in additional motor vibrations. They are reflected in the harmonic content of stator currents. In certain operating conditions the current signal is the sole source of information...
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Molecular biaxiality determines the helical structure – infrared measurements of the molecular order in the nematic twist-bend phase of difluoro terphenyl dimer
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Determination of the Theoretical and Actual Working Volume of a Hydraulic Motor—Part II (The Method Based on the Characteristics of Effective Absorbency of the Motor)
Publication: In this article, the second method of determination of the theoretical and actual working volume of a hydraulic motor is described. The proposed new method is based on the characteristics of effective absorbency of the motor. The effective absorbency has been defined as the ratio of flow rate in a motor to the rotational speed of the motor’s shaft. It has been shown that the effective absorbency is a nonlinear function of the...
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The Ellenbogen's “Matter as Software” Concept for Quantum Computer Implementation. C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublicationThe TBN bottom-up strategy of building quantum devices from C60 and X@C60 MBBs is proposed as an extension of the Ellenbogen's “Matter as Software” idea to quantum information processing. The capped SW or DW CNT STM tip is considered as device for manipulating C60 and X@C60 molecules. In this article, the possibility of using easily available on the market C60 Fullerene and endohedral X@C60 molecules together with commercial CNT...
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Current-based higher-order spectral covariance as a bearing diagnostic feature for induction motors
PublicationConducting the diagnosis of induction motors remotely by analyzing the supply current is an attractive prospect with the lack of access to the engine. Currently, there is no solution, based on analysis of the current, the credibility of which would allow its use in industry. The statistics of bearing failures in induction motors indicate that they constitute more than 40% of induction motor damage, therefore, bearing diagnosis...
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Robust flux observer system with sliding mode and fuzzy logic control of Induction Motors
PublicationW pracy przedstawiono implementację nowego obserwatora strumienia wirnika silnika indukcyjnego zastosowanego w układzie sterowania polowo zorientowanego ze sterowaniem ślizgowym. Proponowany system jest niewrażliwy na zmiany rezystancji stojana silnika w wyniku zastosowania korekcyjnego sprzężenia zwrotnego. Przedstawiono porównanie układów z oraz bez zastosowania sterowania ślizgowego. Zamieszczono wyniki badań symulacyjnych...
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Analysis of the Heating Process of Hydraulic Motors during Start-Up in Thermal Shock Conditions
PublicationConditions that prevail during harsh winters and hot summers pose a serious challenge for machine designers building devices suitable for operation in extreme weather. It is essential for the designers and the users to define the principles and conditions for the safe operation of machines and devices with hydraulic drive in low ambient temperatures. Bearing in mind the above, the author tested the hydraulic motors in thermal shock...
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Deep slot effect in the squirrel-cage induction motors with scalar (V/F) control
PublicationQualitative characteristics of the electrical drive considerably depend on identification accuracy of math model parameters. In particular, it is depend on detection accuracy of stator active resistance r1 that is used in calculation of flux linkages, rotary speed in sensorless control systems. Paper provides analysis of influence of stator deep slot effect to stator active resistance value
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Shaping the SPL Spectra of the Acoustic Noise Emitted by Inverter-Fed Indu- ction Motors
PublicationW artykule przedstawiono nowe podejście do zmniejszania wpływu właściwości mechanicznych maszyny na emitowany przez nią hałas akustyczny. Dokonano identyfikacji mechanicznych rezonansów maszyny wykorzystując modulację RPWM z losowym wyborem częstotliwości nośnej oraz modulację sigma delta, dla której otrzymano relatywnie płaskie widmo prądu. Skonstruowano na tej podstawie funkcję gęstości prawdopodobieństwa wyboru częstotliwości...
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Sliding mode multiscalar control of induction motor
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Current measurement and analysis for induction motor diagnostics
PublicationPrzedstawiono sposób diagnozowania łożysk tocznych w silnikach indukcyjnych z wykorzystaniem pomiarów i analizy prądu zasilającego silnik. Zaprezentowano metodę pomiarową i opracowania danych diagnostycznych. Uzyskano zgodność częstotliwości składowych widma prądu otrzymanych z badań teoretycznych i eksperymentalnych.Podano wyniki badań łożysk o róznych uszkodzeniach i prawdopodobieństwa poprawnych diagnoz.
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AC Motor Voltage and Audible Noise Dataset
PublicationThe dataset titled AC motor voltage and audible noise waveforms in ship’s electrical drive systems with frequency converters contains the voltage and sound measurement results recorded in a marine frequency controlled AC drive system. The dataset is part of research focussing on the impact of the ship’s electrical drive systems with frequency converters on vibrations and the level of audible noise on ships. The dataset allows the...
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Diagnostics of induction motor bearings - possibility of measurements
PublicationIn induction motors damage in the elements of electromagnetic system, for example in the wiring of stator, rotor or in the magnetic circuit can appear as well as damage of mechanical parts (bearings, rotor, shaft). Bearing diagnostics is so important in supervision of motor condition, because extensive research shows that the bearings arethe elements most susceptible to damage. This paper presents the research which the author...
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Electric motor drive with inverter output filter
PublicationPrzedstawiono zagadnienie sterowania i estymacji w układzie napędowym z silnikiem indukcyjnym i filtrem sinusoidalnym.Filtr użyty jest do wygładzenia prądu i napięcia silnika. Filtr wprowadza spadek napięcia i przesunięcie fazowe prądów i napięć uniemożliwiające stosowane bezczujnikowych metod sterowania wektorowego. Rozwiązaniem jest uwzględnienie filtru w sterowaniu i estymacji. Artykuł pokazuje takie rozwiązanie dla metody sterowania...
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Advances in CSI-fed induction motor drives
PublicationThe application of current source inverters (CSI)in induction motor (IM) drives offers a number of advantages,including: voltage boosting capability, natural shoot-throughshort-circuit protection and generation of sinusoidal voltages.The exact generation of sinusoidal voltages is possible thanks tothanks to the effect of the output ac filter capacitors and mayimprove the accuracy of sensorless IM control. The eliminationof high...
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New concept and analysis of the multicell piezoelectric motor
PublicationThis work presents the design, modeling and tests of the prototype multicell piezoelectric motor (MPM). A new concept of the electromechanical structure of the considered prototype is based on three rotating-mode actuators. The electromechanical structure of each actuator has been considered as an independent one - referred to as a ”single cell” (single actuator). Combined three resonant actuators generate three traveling waves...
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Product development using rapid prototyping for pump rotors
PublicationW artykule zaprezentowano zastowanie techniki szybkiego prototypowania do wytwarzania fizycznych modeli produktów i ich części składowych oraz prototypów funkcjonalnych, technicznych i wizualnych z pominięciem tradycyjnych technologii mechanicznych jak odlewanie, skrawanie czy też obróbko elektroerozyjna. Przedstawione studium przypadku oparto na rozwoju konstrukcji wirnika pompy począwszy od etapu projektowania poprzez wytwarzanie...
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Role of electronic correlations in the transport characteristics of molecular junctions
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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublicationTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
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Plasma Treatment as an Unconventional Molecular Magnet Engineering Method
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Molecular dynamics of fentanyl bound to μ-opioid receptor
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Molecular diagnosis in type I epithelial ovarian cancer
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An efficient molecular docking using conformational space annealing
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Lipid-protein interactions in membranes: a molecular modelling study
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Reply to “Comment on ‘Molecular Origin of Anticooperativity in Hydrophobic Association'”
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Molecular factors involved in the development of diabetic foot syndrome.
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Shape resonance of the ethylene anion stabilized in a molecular trap
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Same but different — Molecular comparison of human KTI12 and PSTK
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Low-Molecular-Weight Aldehyde Inhibitors of Cathepsin G
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Real-Time PCR: molecular technique of many applications
PublicationReal-Time PCR is a sensitive DNA amplification technique initially applied in genetics and molecular biology. It enables in vivo copying of the selected DNA fragment (flanked by two primers) by the thermostable polymerase (in the presence of magnesium ions and deoxynucleotide triphosphates) and simultaneous measurement of the fluorescence. For one or more specific sequences in a DNA sample, real-time PCR enables both detection...
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Molecular dynamics simulations of ultraprecision machining of fcc monocrystals
PublicationArtykuł zawiera wyniki wielkoskalowych symulacji dynamiczno-molekularnych ultraprecyzyjnego skrawania monokryształów metali niedeformowalnym narzędziem. Zmiennymi parametrami symulacji były: szybkość i głębokość skrawania, temperatura, orientacja krystalograficzna skrawanego kryształu oraz kształt narzędzia.Analizie poddano zmiany strukturalne w obrabianym materiale.