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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublikacjaThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Investigation of the Effect of The Temperature and Magnetization Pattern on Flux Density, Instantaneous Torque, Unbalanced Magnetic Forces of a Surface Inset PMM
PublikacjaElectrical machines utilized in domestic applications such as ceiling fans should have low losses and cost. Permanent magnets are used instead of rotor excitation to reduce losses. Therefore, not only the losses of the rotor winding are eliminated, but also the efficiency of the machine is increased. A surface inset consequent pole (SICP) machine has also been used to reduce costs. Because less magnets are utilized in this structure....
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Structured deformation of granular material in the state of active earth pressure
PublikacjaThe paper focuses on the ability of granular materials to undergo structured deformation by analysing the data from the retaining wall model tests and discrete element simulations. The structured deformation means the movement of a granular material which produces a stable, regular pattern of multiple shear bands. The paper's primary purpose is to study this kind of deformation for the selected data representing the state of active...
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Pursuing the Deep-Learning-Based Classification of Exposed and Imagined Colors from EEG
PublikacjaEEG-based brain-computer interfaces are systems aiming to integrate disabled people into their environments. Nevertheless, their control could not be intuitive or depend on an active external stimulator to generate the responses for interacting with it. Targeting the second issue, a novel paradigm is explored in this paper, which depends on a passive stimulus by measuring the EEG responses of a subject to the primary colors (red,...
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Geomagnetic Storms and Substorms as Space Weather I nfluence on Atmospheric Electric Field Variations
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Melatonin maintains mitochondrial membrane potential and attenuates activation of initiator (casp-9) and effector caspases (casp-3/casp-7) and PARP in UVR-exposed HaCaT keratinocytes
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Alterations in dopamine metabolism by intraperitoneal ethanol in rats selected for high and low ethanol preference: A 3-methoxytyramine study
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Integration of speech enhancement and coding techniques
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Changes in foot pressure on the ground during mae-geri kekomi (front kick) in karate athlete - case study
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Experimental determination of critical conditions for hydrogen-air detonation propagation in partially confined geometry
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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The Influence of Laser Surface Alloying on the Thermal Fatigue Resistance of Hot Work Tool Steels
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High pressure and time-resolved luminescence spectra of Ca3Y2(SiO4)3doped with Eu2+and Eu3+
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Characterization of various Eu2+ sites in Ca2SiO4:Eu2+ and Ba2SiO4:Eu2+ by high-pressure spectroscopy
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Spectral properties of Cr3+ in SrLaGaO4 under high hydrostatic pressure.
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Luminescence of Gd2(WO4)3:Ln3+at ambient and high hydrostatic pressure
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High pressure luminescence and time resolved spectra of LiNbO3:Pr3+
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Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid
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L16 Nutritional Status of Patients with Huntington Disease: Correlations Between Macro- And Micronutrient intake and Severity of HD
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Fast determination of bisphenol A in spiked juice and drinking water samples by pipette tip solid phase extraction using cobalt metal organic framework as sorbent
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Influence of preparation conditions on thermal properties of lanthanide benzenepolycarboxylates
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Effect of psoriasis activity and topical treatment on serum lipocalin-2 levels
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Serum adiponectin and leptin levels in psoriatic patients according to topical treatment
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Effect of high temperature exposure on the fatigue damage development of X10CrMoVNb9-1 steel for power plant pipes
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Cellular neural network application to moire pattern filtering
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Suitability of DIC and ESPI optical methods for monitoring fatigue damage development in X10CrMoVNb9-1 power engineering steel
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Are advanced glycation end-products specific biomarkers for Alzheimer's disease?
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Investigation of changes in the type B PLC effect of Al–Mg–Cu type alloy for various strain rates
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Application of Hybrid FEM-DIC Method for Assessment of Low Cost Building Structures
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Bearing current path and pulse rate in PWM-inverter-fed induction
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Frequency bands selection of the Portevin–LeChatelier effect
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Continuous‐Frequency Method of Measurement of Electrode Impedance
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Corrosion-erosion damage of heat exchanger tubes by desalted crude oil flowing at shell side
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Mercury concentration in the sediments as a function of changing climate in coastal zone of Southern Baltic Sea – preliminary results
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Modeling of wind wave induced sediment transport in the coastal zone of polish marine areas (Southern Baltic)
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SPATIAL-TEMPORAL DETECTION OF CHANGES ON THE SOUTHERN COAST OF THE BALTIC SEA BASED ON MULTITEMPORAL AERIAL PHOTOGRAPHS
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Mercury in particulate matter over Polish zone of the southern Baltic Sea
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Numerical modelling of thermodynamics and dynamics of sea ice in the Baltic Sea
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Hybrid Processing: the Impact of Mechanical and Surface Thermal Treatment Integration onto the Machine Parts Quality
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Physical-chemical processes of diamond grinding
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Research of Influence Electric Conditions Combined ElectroDiamond Processing by on Specific Consumption of Wheel*
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An invasive predator affects habitat use by native prey: American mink and water vole co-existence in riparian habitats
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Estimating Regions of Absolute Stability with the Use of Piecewise Linear Lyapunov Functions
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Prevalence of insomnia in Poland — results of the National Health Interview Survey
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Steady magnetohydrodynamic flow in a diverging channel with suction or blowing
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Investigation of OSL signal of resistors from mobile phones for accidental dosimetry
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Analysis of TL and OSL kinetics of lithium aluminate
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Analysis of experimental and simulated vibrational spectra for the antiferroelectric liquid crystal 12OBBB1M6
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Processing and characterization of reinforced polyethylene composites made with lignocellulosic fibres isolated from waste plant biomass such as hemp
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