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Wyniki wyszukiwania dla: molecular motors
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Molecular modelling of transition state analogue inhibitors of glucosamine-6-P synthase and glucose-6-P isomerase.
PublikacjaStruktura kompleksu 2-amino-2-deoksy-D-glucitolo-6-P (ADGP) z centrum aktywnym syntazy GlcN-6-P z E. coli została wykorzystAna jako punkt wyjścia do modelowania molekularnego analogów ADGP. Używając programu GROMOS96 wygenerowano konformacje analogów o najniższych energiach wewnętrznych, które następnie ''dokowano'' w centrum aktywnym enzymu. Dokonano syntezy wybranych związków i określono parametry kinetyczne i termodynamiczne...
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Oscillating water-oil-water liquid membrane systems for molecular recognition of substances belonging to diferent taste classes
PublikacjaBadano oscylacje róznicy potencjału elektrochemicznego miedzy fazami wodnymi. Jedna faza wodna zawiera kationowy lub anionowy surfaktant podczas gdy w drugiej fazie wodnej znajduje sie substancja odpowiedzialna za smak. Dwie fazy wodne sa rozdzielone faza olejową. Oscylacje były analizowane poprzez konstrukcje portretów fazowych uzywając metody opoznienia czasowego. Kształt portretów fazowych jest rozny dla oscylatorów z kationowym...
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ANALYSIS OF UNCONTROLLED WEAR IN THE AREA OFA BELLEVILLE SPRING OF A FRICTION TORSIONAL VIBRATIONDAMPER IN A MOTOR VEHICLE CLUTCH
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Sleep Bruxism Contributes to Motor Activity Increase during Sleep in Apneic and Nonapneic Patients—A Polysomnographic Study
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The sensitivity of bacteria to heavy metals in presence of mineral ship motor oil in coastal marine sediments and waters.
PublikacjaThe sensitivity of bacteria, isolated from coastal marine sediments and waters of Sopot beach, Gdańsk Bay (Poland), to heavy metals in the presence of mineral ship motor oil were studied. All isolated heterotrophic bacteria were resistant to the 0.1 mM lead concentration occurring in the environment. Metal resistance of bacteria isolated from coastal water was strongly related to mineral ship motor oil concentration. At 0.1% mineral...
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Critical Review on Robust Speed Control Techniques for Permanent Magnet Synchronous Motor (PMSM) Speed Regulation
PublikacjaThe permanent magnet synchronous motor (PMSM) is a highly efficient energy saving machine. Due to its simple structural characteristics, good heat radiation capability, and high efficiency, PMSMs are gradually replacing AC induction motors in many industrial applications. The PMSM has a nonlinear system and lies on parameters that differ over time with complex high-class dynamics. To achieve the excessive performance operation...
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Experimental Study of Flow Rate in Hydraulic Satellite Motor with the Rotating Case at a Low Constant Rotational Speed
PublikacjaIn this article was described the methodology for the experimental study of flows in the prototype of a satellite hydraulic motor with a rotating body. The experimental tests of the motor were carried out at a low constant rotational speed in a wide range of pressure drop in this motor. The constant rotational speed of the motor was kept by a worm gear. Based on the test results, the leakage characteristics in the flat gaps of...
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High Frequency Conducted Emission in AC Motor Drives Fed By Frequency Converters: Sources and Propagation Paths
PublikacjaProvides a concise and thorough reference for designing electrical and electronic systems that employ adjustable speed drives Electrical and electronic systems that employ adjustable speed drives are being increasingly used in present-day automation applications. They are considered by many application engineers as one of the most interfering components, especially in a contemporarily faced industrial environment. This book fills...
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Derivation of motor mean phase currents in PMSM drives operating with low switching-to-fundamental frequency ratio
PublikacjaPulse width modulation (PWM) of inverter output voltage causes the waveforms of motor phase cur-rents to consist of distinctive ripples. In order to provide suitable feedback for the motor current con-trollers, the mean value must be extracted from the currents’ waveforms in every PWM cycle. A com-mon solution to derive the mean phase currents is to sample their value at the midpoint of a symmetrical PWM cycle. Using an assumption...
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Sensorless Control of Induction Motor Based on Super-Twisting Sliding Mode Observer With Speed Convergence Improvement
PublikacjaThe super twisting sliding-mode observer (ST-SMO) has been proposed to achieve an effective method for alleviating low-order harmonics of measured quantities, issues related to DC drift, and suppression of chattering due to low-frequency sampling. The conventional ST-SMO, on the other hand, suffers from control delay in the convergence trajectory due to the system disturbance, resulting in decreased anti-disturbance capability...
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Theoretical study of highly-excited states of KRb molecule
PublikacjaSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
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Dehydrogenation in electron-induced dissociative ionization of pyridine molecule
PublikacjaThe electron-impact dissociative ionization of pyridine has been investigated using mass spectrometry. Thirty-two well-resolved mass peaks have been identified in the cation mass spectra and assigned to the most likely ionic molecular fragments. The new sixteen ionic fragments' appearance energies have been determined, and sixteen others remeasured. The total cross-section for electron-impact ionization of pyridine has been measured...
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Polarisation effects in low-energy positron–molecule scattering
PublikacjaThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublikacjaThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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Nonlinear Influence of Sound on the Vibrational Energy of Molecules in a Relaxing Gas
PublikacjaDynamics of a weakly nonlinear and weakly dispersive flow of a gas where molecular vibrational relaxation takes place is studied. Variations in the vibrational energy in the field of intense sound is considered. These variations are caused by a nonlinear transfer of the acoustic energy into energy of vibrational degrees of freedom in a relaxing gas. The final dynamic equation which describes this is instantaneous, it includes a...
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Charge transfer and formation of complexes in the He+ collisions with the furan molecules
PublikacjaCharge transfer and formation of the collision complexes have been studied experimentally in fragmentation of the furan molecules in collisions with He+ cations. The excited atomic and diatomic fragments of furan have been identified using collision-induced luminescence spectroscopy. Charge transfer ionization of the furan molecules has been observed in production of helium atoms in the excited 1s4d 1D2, 3D1,2,3 states. The fragmentation...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublikacjaElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublikacjaThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Electron energy-loss spectroscopy of excited states of the pyridine molecules
PublikacjaElectron energy-loss spectra of the pyridine, C5H5N, molecules in the gas phase have been measured to investigate electronic excitation in the energy range 3.5–10 eV. The applied wide range of residual electron energy and the scattering angle range from 10 ◦ to 180 ◦ enabled to differentiate between optically-allowed and -forbidden transitions. These measurements have allowed vertical excitation energies of the triplet excited...
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Proton affinity and proton transfer energy for selected organic molecules
PublikacjaThe Hartree-Fock method in 6-311G** molecular orbitals basis set has been applied to calculations of proton affinities and proton transfer reaction energies for water, methanol, acetaldehyde, ethanol, acetone, acetic acid, methyl acetate and ethyl acetate.
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ThDione: A Powerful Electron‐Withdrawing Moiety for Push–Pull Molecules
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Moderately Reactive Molecules Forming Stable Ionic Compounds with Superhalogens
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Progress in development of molecularly imprinted polymers as sorbents for sample preparation
PublikacjaSample preparation has been one of the most often investigated steps in analytical procedures.These investigations are focused on problems such as isolation of analytes from the sample matrix, matrix implification, analyte enrichment to the level above the detection limit of the instrumentation used, and the removal of interfering species to improve the final determination. Techniques based on solid (adsorption) and pseudo liquid...
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Dependence of bimolecular recombination rate constant on different experimental parameters
PublikacjaZ otrzymanych wzorów analitycznych oraz przeprowadzonych obliczeń numerycznych wynika, że dla wysokich natężeń pola elektrycznego stała szybkości rekombinacji bimolekularnej jest funkcją zewnętrznego pola elektrycznego oraz koncentracji nośników ładunku. Szczególnie interesujący jest wynik dotyczący obniżania się stałej szybkości rekombinacji wraz ze wzrostem natężenia pola elektrycznego, który różni się zupełnie od przewidywań...
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Electron scattering by trimethylene oxide, c-(CH2)3O, molecules
PublikacjaZmierzono całkowity przekrój czynny na rozproszenie elektronów na drobinach c-(CH2)3O w zakresie energii 1 - 400 eV. Wyniki porównano z elastycznymi i jonizacyjnymi przekrojami czynnymi obliczonymi dla tej drobiny. Przedyskutowano energetyczną zależność całkowitego przekroju czynnego na rozproszenie dla rodziny eterów cyklicznych (CH2)nO, n=2-4.
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Binary-Encounter Model for Direct Ionization of Molecules by Positron-Impact
PublikacjaWe introduce two models for the computation of direct ionization cross sections by positron impact over a wide range of collision energies. The models are based on the binary-encounter-Bethe model and take into account an extension of the Wannier theory. The cross sections computed with these models show good agreement with experimental data. The extensions improve the agreement between theory and experiment for collision energies...
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublikacjaThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
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Application of molecularly imprinted polymers in analytical chiral separations and analysis
PublikacjaOver the last two decades the process of development and application of a new types of molecular imprinted polymer (MIP) sorbents in the field of analytical chemistry have been widely described in the literature. One of the new trends in analytical chemistry practice is the use of new types of MIP sorbents as specific sorption materials constituting the stationary phase in advanced separation techniques. The following review paper...
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VUV photofragmentation of the six-membered heterocyclic molecules containing oxygen
PublikacjaCancer is a significant public health concern worldwide, which results in millions of deaths each year. The standard cure routine for cancer is surgery, and nowadays, radiotherapy or a hadrontherapy. Depending on the type of cancer, patients may undergo additional treatment, including targeted therapy. A combination of radio- or hadron-therapy with proper drug treatment can inhibit the proliferation of cancer cells and thus can...
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Molecularly imprinted polymers applied in capillary electrochromatography and electrophoresis techniques
PublikacjaMolecularly imprinted polymers (MIPs) are synthetic materials with predetermined selectivity for a particular analyte or group of structure-linked chemicals which make them an ideal separation component. The process of developing and applying new types of MIPs in the field of environmental analytical chemistry has been broadly discussedi n many scientific studies in recent years. The use of new types of MIP sorbents as unique sorption...
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Common-Mode Voltage and Bearing Currents in PWM Inverters: Causes, Effects and Prevention
PublikacjaIn modern induction motor drives an increase of transistors' switching frequency and a decrease of switching times are the sources of some serious problems. The high dv/dt and the common mode voltage generated by the inverter PWM control results in the appearances of bearing currents, shaft voltages, motor terminal overvoltages, the decrease of motor efficiency, and electromagnetic interference. The aspects of common mode (CM)...
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Doctors’ attitudes in the situation of delivering bad news: patients’ experience and expectations
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Competences of academic tutors – research among participants of the project “Masters of Didactics”
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Common functionally important motions of the nucleotide‐binding domain of H sp70
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Numerical simulations of space-time conditional random fields of ground motions
PublikacjaArtykuł przedstawia metodę modelowania stochastycznego efektu propagacji fali sejsmicznej z wykorzystaniem przestrzenno-czasowej funkcji korelacji pola losowego trzęsienia ziemi. Metodę wykorzystano do generacji nieznanych historii czasowych trzęsienia w wybranych punktach na podstawie znanego rejestru w jednym miejscu. Wyniki pokazały, iż zastosowanie zaproponowanej metody prowadzi do relatywnie małych błędów symulacji.
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublikacjaOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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The cytokine profile of mature milk from smoking and non-smoking mothers
PublikacjaZweryfikowano wpływ palenia kobiet na poziom cytokin (IL-1α, IL-1β, IL-6, IL-8, IL-10 i TNF-α) w mleku ludzkim w 30-32 dni po porodzie. Badana grupa składała się z 24 kobiet po porodzie, które deklarowały palenie więcej niż pięciu papierosów dziennie. Grupę kontrolną stanowiło 45 niepalących kobiet. W porównaniu do kobiet niepalących w mleku kobiet palących stwierdzono znacznie wyższe stężenia cytokiny IL-1α (P = 0,04). Nie stwierdzono...
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Investigating the release of ZnO nanoparticles from cement mortars on microbiological models
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Traumatized women’s infants are bigger than children of mothers without traumas
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Lightweight Cement Mortars with Granulated Foam Glass and Waste Perlite Addition
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The effects of silica/titania nanocomposite on the mechanical and bactericidal properties of cement mortars
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Towards a method for detecting large roll motions suitable for oceangoing ships
PublikacjaThe concept of autonomous merchant ships is quite recent. The increasing interest in autonomous vessels is nowadays calling for smart technologies that are supposed to replace the human actions on board. This involves troublesome issues related to ship safety. In the future, decision-making processes that are conventionally performed by human beings on board ship will be moved ashore to the control centre and maybe even completely...
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublikacjaWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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Conditional random field simulation of ground motions for large shell structures.
PublikacjaZaprezentowano metodę stochastycznego modelowania efektu propagacji fali trzęsienia ziemi i analizowano wpływ tego efektu na konstrukcje powłokowe znacznych rozmiarów. Symulowane przy użyciu tej metody rejestry trzęsień ziemi w wybranych punktach podporowych mogą być wykorzystane do analizy dynamicznej zachowania się konstrukcji. Przykładem analizowanej konstrukcji budowlanej jest zbiornik cylindryczny o średnicy 100 m.
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Richtungen der forschungsarbeiten an der hydraulischen motoren mite der spielkompensation
PublikacjaOpisano nową konstrukcję silników hydraulicznych. Zastosowano kompensację luzów osiowych w celu zmniejszenia przecieków oleju z komór roboczych silnika. Badania silników z kompensacją luzów są prowadzone w Katedrze Hydrauliki i Pneumatyki Politechniki Gdańskiej. Dodatkowo prowadzone są badania wersji dwubiegowych silników oraz napędu synchronicznego. Przedstawiono również nowe stanowisko do badań silników przy pracy na emulsję...
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Richtungen der Forschungsarbeiten an den hydraulischen Motoren mit der Spielkompensation.
PublikacjaPrzedstawiono koncepcję silnika satelitowego z mechanizmem satelitowym III generacji z kompensacją luzów osiowych, zakres prac badawczych: eksperymentalnych i z wykorzystaniem symulacji komputerowej MES w celu optymalizacji węzła kompensacji luzów osiowych, możliwości zastosowania silnika jako wielobiegowego i w układach napędu synchronicznego jako multiplikator i dzielnik strumienia oraz przedstawiono stanowisko do badań silników...
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Molecular Heteroconjugation Equilibria in (n-Butylamine + Acetic Acid) Systems in Binary (Dimethyl Sulfoxide + 1,4-Dioxane) Solvent Mixtures
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Update on the molecular pathogenesis and clinical treatment of Mantle Cell Lymphoma (MCL): minutes of the 9th European MCL Network conference
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublikacjaNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...