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Search results for: mechanika kwantowa
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Microstructure and Mechanical Properties of Carboxylated Nitrile Butadiene Rubber/Epoxy/XNBR-grafted Halloysite Nanotubes Nanocomposites
PublicationThe effect of various amounts of carboxylated nitrile butadiene rubber (XNBR) functionalized halloysite nanotubes (XHNTs) on the cure characteristics, mechanical and swelling behavior of XNBR/epoxy compounds was experimentally and theoretically investigated. The morphology of the prepared XNBR/epoxy/XHNTs nanocomposites was imaged using scanning electron microscopy (SEM). The effects of various XNBR-grafted nanotubes on the damping...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublicationCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublicationThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...
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Evaluation of the mechanical strength and protective properties of polycarbonate toecaps subjected to repeated impacts simulating workplace conditions
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Investigating the Effect of Aluminum Diethylphosphinate on Thermal Stability, Flame Retardancy, and Mechanical Properties of Poly(butylene succinate)
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Cement-based composites with waste expanded perlite - Structure, mechanical properties and durability in chloride and sulphate environments
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Oscillatory Mechanism of α-Fe(N) ↔ γ’-Fe4N Phase Transformations during Nanocrystalline Iron Nitriding
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The Potential Mechanism of Tiliroside-Dependent Inhibition of t-Butylhydroperoxide-Induced Oxidative Stress in Endometrial Carcinoma Cells
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Influence of rhamnolipids and ionic cross-linking conditions on the mechanical properties of alginate hydrogels as a model bacterial biofilm
PublicationThe literature indicates the existence of a relationship between rhamnolipids and bacterial biofilm, as well as the ability of selected bacteria to produce rhamnolipids and alginate. However, the influence of biosurfactant molecules on the mechanical properties of biofilms are still not fully understood. The aim of this research is to determine the effect of rhamnolipids concentration, CaCl2 concentration, and ionic cross-linking...
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Mechanical, durability, depolluting and electrical properties of multifunctional mortars prepared with commercial or waste carbon-based fillers
PublicationCarbon-based fillers from industrial wastes and commercial ones were compared to improve the properties of lime-based mixes. As commercial fillers, graphene nanoplatelets and activated carbon were used, whereas as industrial wastes a char obtained by the gasification of biomasses and a used foundry sand were chosen. Carbon-based wastes were found to be a good cost-effective alternative to commercial carbon based fillers to increase...
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ENERGY ANALYSIS OF THE PROPULSION SHAFT FATIGUE PROCESS IN A ROTATING MECHANICAL SYSTEM PART III DIMENSIONAL ANALYSIS
PublicationThis article presents the third and last part of the problem of diagnosing the fatigue of marine propulsion shafts in terms of energy with the use of the action function, undertaken by the authors. Even the most perfect physical models of real objects, observed under laboratory conditions and developed based on the results of their research, cannot be useful in diagnostics without properly transferring the obtained results to the...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Morphology, Thermo-Mechanical Properties and Biodegradibility of PCL/PLA Blends Reactively Compatibilized by Different Organic Peroxides
PublicationReactive blending is a promising approach for the sustainable development of bio-based polymer blends and composites, which currently is gaining more and more attention. In this paper, biodegradable blends based on poly(ε-caprolactone) (PCL) and poly(lactic acid) (PLA) were prepared via reactive blending performed in an internal mixer. The PCL and PLA content varied in a ratio of 70/30 and 55/45. Reactive modification of PCL/PLA...
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Study on Microstructural Characterization, Mechanical Properties and Residual Stress of GTAW Dissimilar Joints of P91 and P22 Steels
PublicationThis article deals with the dissimilar joining of two different grade Cr-Mo steel (2.25Cr-1Mo: P22 and modified 9Cr-1Mo: P91) for power plant application. The dissimilar butt-welded joint was produced for conventional V groove design by using the gas tungsten arc welding (GTAW) process with the application of an ERNiCrMo-3 Ni-based super alloy filler. A microstructure characterization was performed to measure the inhomogeneity...
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New Design of Axial Piston Pump with Displaced Swash Plate Axis of Rotation for Hydro-Mechanical Transmissions
PublicationThis paper presents a prototype design of an axial piston pump with displaced swash plate axis of rotation in two directions of discharge with electronic control intended for installation on a hydraulic-mechanical gearbox dedicated to working machines. The effect of displacement of the swash plate rotation axis on dead space volume and volumetric efficiency is presented. The construction and principle of operation of the capacity...
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Chemical kinetic approach to the mechanism of coupled transport of Cu(II) Ions through bulk liquid membranes
PublicationW celu lepszego zrozumienia transportu jonów miedzi przez ciekłe membrany zaproponowano schemat kinetyczny na poziomie molekularnym oparty o dwie nastepujące po sobie reakcje odwracalne. Zasegurowano uzywając membrany ciekłej o wysokiej polarności i polaryzowalności oraz szybkiego mieszania mozna zwiekszyć wydajnośc transportu.
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Theoretical study of the energetics of the reactions of triplet dioxygen with hydroquinone, semiquinone, and their protonated forms: relation to the mechanism of superoxide generation in the respiratory chain = Badanie teoretyczne energii z energii reakcji dioksygenu potrójnego z wodorem, półkiną i ich formami protony: relacja z mechanizmem wytwarzania supertlenku w łańcuchu oddechowym
PublicationW pracy prezentujemy wyniki obliczeń kwantowych ab initio i półempirycznych energetyki reakcji redukcji jednoelektronowej tlenu trypletowego. Zaproponowaliśmy cztery możliwe mechanizmy redukcji i przeprowadziliśmy obliczenia kwantowe. Z obliczeń wynika, że najprawdopodobniejszy mechanizm reakcji wiedzie poprzez przeniesienie elektronu z anionu hydrochinonu po deprotonacji lub też z rodnika semichinonowego na tlen cząsteczkowy,...
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Macroscopic models for quantum systems and computers
PublicationOpisano układy makroskopowe realizujące dwubitowe operacje kwantowe.
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Physico‐Mechanical Properties and Flammability of PUR/PIR Foams Containing Expandable Graphite Core‐Shell Composite Particles
PublicationIn this work, polyurethane/polyisocyanurate (PUR/PIR) foams were modified by two types of expandable graphite (EG) core-shell composite particles. The pulverized EG core-shell composite particles were prepared during emulsion polymerization using methyl methacrylate or glycidyl methacrylate for the synthesis of the polymeric shells (poly(methyl methacrylate) (PMMA) and poly (glycidyl methacrylate) (PGMA)), and then the obtained EG_PMMA...
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Acid-aided epoxy-amine curing reaction as reflected in epoxy/Fe3O4 nanocomposites: Chemistry, mechanism, and fracture behavior
PublicationThis work seeks to answer the question whether or not the presence of acid functional groups accelerate epoxyamine curing reaction. Epoxy/Fe3O4 nanocomposite was considered as a case, where discussions are based on chemistry, mechanism behind curing reactions and fracture behavior influenced by acid assistance to crosslinking. Fe3O4 magnetic nanoparticles (MNPs) with nanosilica decorative layer (B-MNP) were synthesized and subsequently...
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Corrosion Resistance and Mechanical Properties of TIG and A-TIG Welded Joints of Lean Duplex Stainless Steel S82441 / 1.4662
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Chemically Bonded Silica Stationary Phases: Synthesis, Physicochemical Characterization, and Molecular Mechanism of Reversed-Phase HPLC Retention
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Physical and Mechanical Evaluation of Silicone-Based Double-Layer Adhesive Patch Intended for Keloids and Scar Treatment Therapy
PublicationGrowing interest in silicone elastomers for pharmaceutical purposes is due to both theirbeneficial material effect for scar treatment and their potential as drug carriers. Regarding their morphological structure, silicone polymers possess unique properties, which enable a wide range of applicability possibilities. The present study focused on developing a double-layer adhesive silicone film (DLASil) by evaluating its physical...
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TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublicationRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...
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Experimental investigation and optimization of compression moulding parameters for MWCNT/glass/kevlar/epoxy composites on mechanical and tribological properties
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Mechanism of selective anticancer activity of isothiocyanates relies on differences in DNA damage repair between cancer and healthy cells
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Działalność naukowego "Koła Mechaników i Elektrotechników Studentów Polaków Politechniki Gdańskiej" w latach 1923-1939
PublicationArtykuł przedstawia historię powstania
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Mechanical and Thermal Properties of W-Ta-B Coatings Deposited by High-Power Impulse Magnetron Sputtering (HiPIMS)
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Physical and Mechanical Evaluation of Silicone-Based Double-Layer Adhesive Patch Intended for Keloids and Scar Treatment Therapy
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Comparison of the effect of montmorillonite, magnesium hydroxide and a mixture of both on the flammability properties and mechanism of char formation of HDPE composites
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment
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Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies
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Effect of Compounding Conditions on Static and Dynamic Mechanical Properties of High Density Polyethylene/Ground Tire Rubber Blends
PublicationSearching for new and cost-effective methods of waste rubber recycling is a subject of research in many scientific centers in the world. In this paper there are presented results of the research of the extrusion process of cheap and environmentally friendly thermoplastic compositions containing 50 % wt. of masses of ground tire rubber (GTR). The aim of this study was to determine the relationship between the mixing conditions and...
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Monitoring of crosslinking of a DGEBA-PAMAM adhesive in composite/aluminium bonded joint using mechanical and ultra-sound techniques
PublicationAdhesive cure is an important and determining aspect of strength and stability of bonded structures. Crosslinking of the polymer leads to the adhesive strength, stiffness and durability. Depending on the resin and curing agent used, cure time can vary from minutes to weeks, even then 100% crosslinking not being guaranteed. Standard methods based on dynamic mechanical analysis (DMA) or calorimetric techniques (DSC, DTA) are valuable...
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Wlijanije : Norweżskogo finanswogo mechanizma na razwitije transgranicznogo sotrudhiczestwa w ewroregionach na wostocznoj granice Polszy
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Electrical and mechanical characterization of two-phase alloys by means of scanning probe microscopy in dynamic impedance spectroscopy mode
PublicationDynamic impedance spectroscopy, evaluated for measuring non-stationary systems, was used in combination with scanning probe microscope. Using this approach, localized impedance measurements in the AFM contact mode could be carried out. Additionally, impedance–force curves were made at each phase of investigated materials to illustrate the relation between impedance and the force applied to a probe. Therefore, correlation of electrical...
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Wlijanie "norweżskogo finansowogo mechanizma" na rozwitie transgraniiczeskogo sotrudniczestwa w ewroregionach na woctocznoj granice Polszy
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Palladium versus Platinum: The Metal in the Catalytic Center of a Molecular Photocatalyst Determines the Mechanism of the Hydrogen Production with Visible Light
PublicationTo develop highly efficient molecular photocatalysts for visible light-driven hydrogen production, a thorough understanding of the photophysical and chemical processes in the photocatalyst is of vital importance. In this context, in situ X-ray absorption spectroscopic (XAS) investigations show that the nature of the catalytically active metal center in a (N^N)MCl2 (M=Pd or Pt) coordination sphere has a significant impact on the...
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Processing, physico-mechanical and thermal properties of reclaimed GTR and NBR/reclaimed GTR blends as function of various additives
PublicationIn this work, ground tire rubber (GTR) was mechano-chemically reclaimed in the presence of bitumen and various additives. During studies three types of processing and curing additives: (i) peptizer P300; (ii) vulcanization accelerator tetramethylthiuram disulfide (TMTD) and (iii) organic peroxide di(2-tert-butyl-peroxyisopropyl)benzene (BIB1) were applied to enhance reclaiming of GTR. Reclaiming process was evaluated by oscillating...
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Imidazoacridinone antitumor agent, c-1311, as a selective mechanism-based inactivator of human recombinant cytochrome P450 1A2
PublicationPrzedmiotem badań była przeciwnowotworowa pochodna imidazoakrydonu, C-1311, która pod nazwą Symadex R, znajduje się aktualnie w II fazie badań klinicznych. Wcześniejsze wyniki pozwoliły stwierdzić, że związek ten jest selektywnym inhibitorem niektórych enzymów cytochromowych. Podjęto zatem próbę wyjaśnienia mechanizmu inhibicji izoenzymów cytochromu P450 przez C-1311. Wykazano, że utrata aktywności katalitycznej obu izoenzymów...
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Determination of the adsorption mechanism of imidazolium type ionic liquids onto kaolinite: implications for their fate and transport in the soil environment
PublicationNiniejsza publikacja szczegółowo opisuje sorpcję cieczy jonowych na powierzchni glin kaolinowych. Uzyskane wyniki wskazują na występowanie zjawiska sorpcji wielowarstwowej. Przy całkowitym wysyceniu najwyższy współczynnik podziału został zaaobserwowany dla cieczy jonowych podstawionych długim łańcuchem alkilowym. Średnie wartości energii swobodnej wyznaczone dla procesu sorpcji cieczy jonowych są niższe niż typowe energie swobodne...
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Bacteria Residing at Root Canals Can Induce Cell Proliferation and Alter the Mechanical Properties of Gingival and Cancer Cells
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Structure, Mechanical, Thermal and Fire Behavior Assessments of Environmentally Friendly Crude Glycerol-Based Rigid Polyisocyanurate Foams
PublicationIn this work, rigid polyisocyanurate foams were prepared at partial substitution (0–70 wt%) of commercially available petrochemical polyol, with previously synthesized biopolyol based on crude glycerol and castor oil. Influence of the biopolyol content on morphology, chemical structure, static and dynamic mechanical properties, thermal insulation properties, thermal stability and flammability was investigated. Incorporation of...
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Acute Effects of Different Intensities during Bench Press Exercise on the Mechanical Properties of Triceps Brachii Long Head
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Insight into the microbial and genetic response of anammox biomass to broad range concentrations of different antibiotics: Linking performance and mechanism
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Acute Effects of High-Load vs. Plyometric Conditioning Activity on Jumping Performance and the Muscle-Tendon Mechanical Properties
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Correction: Simultaneously improving the thermal stability, flame retardancy and mechanical properties of polyethylene by the combination of graphene with carbon black
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Combination of fumed silica with carbon black for simultaneously improving the thermal stability, flame retardancy and mechanical properties of polyethylene
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Pollution characteristics, mechanism of toxicity and health effects of the ultrafine particles in the indoor environment: Current status and future perspectives
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