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Wyniki wyszukiwania dla: positron molecule interaction
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Fingerprint structure studies with semi-contact AFM
Dane BadawczeThe work [1] presents many, sometimes even surprising examples of the use of atomic force microscopy in modern forensics. Some of them are projectile tests using the characteristic scratch patterns created by the firing pin on the primer. There are more and more suggestions in the literature for the use of atomic force microscopy in dactyloscopy [2]....
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Stable nanoconjugates of transferrin with alloyed quaternary nanocrystals Ag–In–Zn–S as a biological entity for tumor recognition
PublikacjaOne way to limit the negative effects of anti-tumor drugs on healthy cells is targeted therapy employing functionalized drug carriers. Here we present a biocompatible and stable nanoconjugate of transferrin anchored to Ag-In-Zn-S quantum dots modified with 11-mercaptoundecanoic acid (Tf-QD) as a drug carrier versus typical anticancer drug, doxorubicin. Detailed investigations of Tf-QD nanoconjugates without and with doxorubicin...
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Introduction to MIP synthesis, characteristics and analytical application
PublikacjaOne of the trends in analytical chemistry is associated with designing and developing new types of sample preparation techniques, which might significantly increase the efficiency and selectivity of the analytes isolation or/and preconcentration process. One of the most widely employed solutions are selective sorption materials, defined as molecularly imprinted polymers (MIPs), as well as the sorbents with the molecular fingerprint....
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublikacjaThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublikacjaHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...
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Electron scattering cross sections for 1-pentene, H2C=CH-(CH2)2CH3, molecules
PublikacjaCross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5H10) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The dominant behaviour of the experimental TCS energy function is a distinct asymmetric enhancement with the maximum located around 6.5 eV. Discernible...
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Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers
PublikacjaThe reaction between Zn(NO3)2*6H2O or Zn(CH3COO)2*2H2O and isophthalic acid (1,3-H2bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H2O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn2(1,3-bdc)2(Hbzim)2] (1) and [Zn2(1,3-bdc)(bzim)2] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2)...
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Visible light activity of pulsed layer deposited BiVO4/MnO2 films decorated with gold nanoparticles: The evidence for hydroxyl radicals formation
PublikacjaThin films containing BiVO4 and MnO2 deposited on FTO and modified by Au nanoparticles were studied towards their photoelectrochemical and photocatalytical activities in an aqueous electrolyte. Electrodes were prepared by the pulsed laser deposition (PLD) method. The surfactant-free ablation process was used for preparation of the gold nanoparticles (GNP) water suspension. Obtained layers of varied thicknesses (27–115 nm) were...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublikacjaWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Photocatalytical properties of maze-like MoO3 microstructures prepared by anodization of Mo plate
PublikacjaIn this work, we present a simple method of the formation of MoO3 microstructures via an electrochemical anodization of Mo plate carried out under varied conditions. The morphology, composition and structure of samples were investigated by SEM, EDX, XRD and Raman spectroscopy. The band gap energy was estimated using the Kubelka–Munk function and was found to be 2.87 eV. Finally, the photocatalytic activities of MoO3 samples were...
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Galerkin Finite Element Process for Entropy Production and Thermal Evaluation of Third-Grade Fluid Flow: A Thermal Case Study
Publikacja: A fluid’s moving class improves its heat transmission capability, as well as its rigidity, owing to multivariate molecule suspension. In this way, nanofluids are superior to common fluids. In this study, we evaluated the features of ease and heat transfer. Furthermore, we investigated permeable media, heat source, variable heat conductivity, and warm irradiation results. A mathematical technique known as the Galerkin finite element...
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Nitric Oxide-Dependent Pathways as Critical Factors in the Consequences and Recovery after Brain Ischemic Hypoxia
PublikacjaBrain ischemia is one of the leading causes of disability and mortality worldwide. Nitric oxide (NO), a molecule that is involved in the regulation of proper blood flow, vasodilation, neuronal and glial activity constitutes the crucial factor that contributes to the development of pathological changes after stroke. One of the early consequences of a sudden interruption in the cerebral blood flow is the massive production of reactive...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublikacjaDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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Separation of C6 hydrocarbons on sodium dithionite reduced graphene oxide aerogels
PublikacjaThe ability of reduced graphene oxide aerogels (rGOAs) for challenging gas-phase separation was investigated with hexane isomers and benzene (C6 hydrocarbons) using inverse gas chromatography (IGC). For the first, rGOAs were synthesized with sodium dithionite (DTN) as a reductant. Experiments revealed that the most optimal DTN to graphene oxide mass ratio was 2:1, resulting in the highest specific surface area of 432.3 m2 g−1 and...
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Gold(III) complexes with chloride and cyanopyridines: Facilitated hydrolysis of nitrile ligand to amide and antibacterial activity
PublikacjaA range of novel simple gold(III) compounds has been synthesized in their monocrystalline form, including two previously unknown chloro-complexes of Au3+ with 2-cyanopyridine or 3-cyanopyridine, respectively. Our investigations have revealed the intricate nature of the reaction between 2-cyanopyridine and tetrachloroauric acid, yielding at least three distinct products. The main product, obtained in high yield, is a salt featuring...
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Effect of Amino Acids and Sodium Chloride on d-Sorbitol in Aqueous Solutions at Different Temperatures: Volumetric and Acoustic Approach
PublikacjaApparent molar volumes and apparent molar compressibilities for d-sorbitol in (0.05, 0.1, 0.2 and 0.3) mol·kg−1 aqueous solutions of l-alanine, l-cysteine and l-histidine and NaCl have been determined from measurements of solution density at T = (288.15, 298.15, 308.15 and 318.15) K and sound velocity at T = 298.15 K, as a function of the concentration of the sugar alcohol. The data were used to obtain the limiting apparent molar...
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MOBILITY OF SHALE DRILL CUTTINGS CONSTITUENTS
PublikacjaThis study focuses on the abundance and mobility of metals and trace elements from shale drill cuttings into the water, being the main component of hydraulic fracturing fluid. The relationship between composition of the shale rock and the potential element release during standard water-based leaching tests was characterized by means of X-Ray Fluorescence spectroscopy (XRF). The XRF analysis confirmed the assumption of shales constituents...
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Gaze-tracking based audio-visual correlation analysis employing quality of experience methodology
PublikacjaThis paper investigates a new approach to audio-visual correlation assessment based on the gaze-tracking system developed at the Multimedia Systems Department (MSD) of Gdansk University of Technology (GUT). The gaze-tracking methodology, having roots in Human-Computer Interaction borrows the relevance feedback through gaze-tracking and applies it to the new area of interests, which is Quality of Experience. Results of subjective...
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Hybrid model of geared rotor system
PublikacjaIn the paper a hybrid model of a geared multirotor system has been developed. The model is obtained by application of both the modal decomposition methodology and the spatial discretization method. Reduced modal model was constructed for the system without gyroscopic and damping effects. The gyroscopic interaction, damping and other phenomena which are difficult to include in the modal approach were modeled by application of simply...
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Investigation of photothermolysis therapy of human skin diseases using optical phantoms
PublikacjaDermatological diseases, such as neurofibroma (Recklinghausen disease) or hemangiomas can be efficiently treated using photothermolysis from laser irradiation. We have utilized a developed 975 nm fiber diode laser as a low-cost alternative over common Nd:YAG lasers. This paper describes the investigations of interaction of 975 nm diode laser radiation-pulses with optical skin phantoms which were designed and manufactured in our...
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Badania teoretyczne i doświadczalne rozkładu temperatur w hydrodynamicznym łożysku wzdłużnym
PublikacjaW referacie zaprezentowano przykładowe wyniki obliczeń uzyskane z wykorzystaniem rozwijanej w Politechnice Gdańskiej nowej metody oceny własności hydrodynamicznych łożysk wzdłużnych. Bazuje ona na wykorzystaniu techniki automatycznej wymiany informacji pomiędzy uwzględnianymi w analizach problemów obliczeń łożyskowych obszarami zadania tj. płynowym i strukturalnym, wykorzystując w tym celu dostępne programy obliczeniowe MES (technika...
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Directed electromagnetic pulse dynamics: projecting operators method
PublikacjaIn this article, we consider a one-dimensional model of electromagnetic pulse propagation in isotropic media, takinginto account a nonlinearity of the third order. We introduce a method for Maxwell's equation transformation on thebasis of a complete set of projecting operators. The operators correspond to wave dispersion branches including thedirection of propagation. As the simplest result of applying the method, we derive a system...
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Logistics of Transnational Corporations as the Basis of Cooperation Between Ukraine and EU (for Poland Example)
PublikacjaThe article describes the scientific and theoretical basis for the organization of logistics management of modern international corporations, owning by assets in mining and metallurgical business in Ukraine and Poland; it had been analyzed the influence of transfer pricing mechanism as one of the main factors affecting on the efficiency of the organization of supply chain of resources (Ukrainian semi-finished goods) to ensure uninterrupted...
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The Method of a Two-Level Text-Meaning Similarity Approximation of the Customers’ Opinions
PublikacjaThe method of two-level text-meaning similarity approximation, consisting in the implementation of the classification of the stages of text opinions of customers and identifying their rank quality level was developed. Proposed and proved the significance of major hypotheses, put as the basis of the developed methodology, notably about the significance of suggestions about the existence of analogies between mathematical bases of...
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MONITORING SYSTEM OF THE ROAD EMBANKMENT
PublikacjaThe paper presents the analysis of the monitoring system of the embankment supported on concrete columns and overlaid by a load transfer platform with the embedded steel grid. This field investigation was to study the complex interaction among the columns, the load transfer platform layer, and steel grid via in situ measurements during erection and live loading of the embankment. The study was focused on the behaviour of steel...
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Effect of soil on the capacity of viscous dampers between adjacent buildings
PublikacjaThis study investigated the seismic pounding of two adjacent buildings considering soil–structure interaction (SSI). A comprehensive parametric study of buildings with different heights was performed to reveal the pounding-involved behaviour considering the soil effect. Wavelet transform has been conducted to gain insight into the differences in the frequency contents of the impact forces between fixed- and flexible-base adjacent...
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Microstructure and residual stresses in surface coatings with PTFE reservoirs
PublikacjaThe paper presents the results of experimental study into the microstructure and changes in residual stresses resulting from sliding and rolling/sliding loaded interaction between metallic surface coatings with embedded PTFE reservoirs and various counter faces. It was found that before testing surface coatings had compressive residual stresses. Molybdenum coating with all types of PTFE reservoirs displayed, as a result of testing,...
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Structure and evolution of the 4-helix bundle domain of Zuotin, a J-domain protein co-chaperone of Hsp70
PublikacjaThe J-domain protein Zuotin is a multi-domain eukaryotic Hsp70 co-chaperone. Though it is primarily ribosome-associated, positioned at the exit of the 60S subunit tunnel where it promotes folding of nascent polypeptide chains, Zuotin also has off-ribosome functions. Domains of Zuotin needed for 60S association and interaction with Hsp70 are conserved in eukaryotes. However, whether the 4-helix bundle (4HB) domain is conserved remains...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Nutrient transport and acquisition by diatom chains in a moving fluid
PublikacjaThe role of fluid motion in delivery of nutrients to phytoplankton cells is a fundamental question in biological and chemical oceanography. In the study of mass transfer to phytoplankton, diatoms are of particular interest. They are non-motile, are often the most abundant components in aggregates and often form chains, so they are the ones expected to benefit most from enhancement of nutrient flux due to dissipating turbulence....
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Corporate social responsibility and forward default risk under firm and industry heterogeneity
PublikacjaObjective: This study aims to evaluate the impact of corporate social responsibility on forward default risk (FDR) under the setting of firm and industry heterogeneity. Research Design & Methods: This study evaluated the impact of corporate social responsibility (CSR) on FDR using the data of 497 companies from 2007-2021 in the S&P 500 index, taking into account firm and industry heterogeneity aspects. This study utilized instrumental...
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Analiza drgań przewodu jezdnego sieci trakcyjnej w aspekcie oceny jej stanu technicznego.
PublikacjaGórna sieć trakcyjna jest nadal najefektywniejszym sposobem zasilania kolejowych pojazdów elektrycznych. Sieć jezdna nie ma możliwości technicznych redundancji, co wymaga okresowej oceny stanu technicznego w celu zapewnienia prawidłowej współpracy z odbierakami prądu pojazdów. W artykule przedstawiono aspekty oceny stanu technicznego górnej sieci trakcyjnej na podstawie modelowania matematycznego i wybranych badań laboratoryjnych....
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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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Novel inorganic xerogels doped with CaWO 4 :xDy: Synthesis, characterization and luminescence properties
PublikacjaA series of novel phosphors based on silica xerogel doped with CaWO4:xDy(III) with various concentration of dysprosium ion was synthesized over a temperature of 800 C. The thermal analysis, XRD measurement and spectroscopic investigations of these materials are presented in this study. Steady state luminescence, luminescence excitation spectra as well as emission spectra have been measured. Under the ultraviolet light, the prepared...
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Automatic analysis of the aggressive behavior of laboratory animals using thermal video processing
PublikacjaThe bite detection is very important but difficult element of the social interaction analysis. Standard observation methods like human observer or a camcorder of visible light frequencies fail in this case. However, it is possible to discern cooler spots on the rodent's body that appear after body contact with another individual, and vanish after short time. These spots are assumed to be a saliva trace left on fur after bite. In...
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Ship’s de-perming process using coils lying on seabed
PublikacjaA ship built from ferromagnetic steel disturbs the uniformity of the Earth’s magnetic field. Changes of ship’s signature are due to the magneto-mechanical interaction of the hull with the Earth’s magnetic field. The ship’s magnetic field can be detected by a magnetic naval mine. For this reason, the vessel has to be demagnetized. There are several methods of ship’s de-perming. The results of experimental and computer simulations...
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Towards Knowledge Formalization and Sharing in a Cognitive Vision Platform for Hazard Control (CVP-HC)
PublikacjaHazards are present in all workplaces and can result in serious injuries, short and long-term illnesses, or death. In this context, management of safety is essential to ensure the occupational health of workers. Aiming to assist the safety manage-ment process, especially in industrial environments, a Cognitive Vision Platform for Hazard Control (CVP-HC) has been proposed. The CVP-HC is a scalable yet adaptable system capable of...
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Business Sentiment Analysis. Concept and Method for Perceived Anticipated Effort Identification
PublikacjaRepresenting a valuable human-computer interaction interface, Sentiment Analysis (SA) is applied to a wide range of problems. In the present paper, the researchers introduce a novel concept of Business Sentiment (BS) as a measurement of a Perceived Anticipated Effort (PAE) in the context of business processes (BPs). BS is considered as an emotional component of BP task contextual complexity perceived by a process worker after reading...
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Experimental study on the selected aspects of bow thruster generated flow field at ship zero-speed conditions
PublikacjaThe paper presents the results of experimental study on the interaction between the bow thrusters understood as the flow field changes generated by bow tunnel thruster in deep water conditions operated as a single and twin units. The research was limited to zero-speed case for the ship dead in the water. The influence of the hull form and jet spread between the neighbouring thrusters for several combinations of the applied bow...
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublikacjaThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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Numerical analysis of a temporary steel grandstand
PublikacjaThe purpose of this paper is to present the results of the numerical analysis focused on the response of the temporary steel scaffolding grandstand subjected to human-induced vibrations due to jumping. Shell as well as beam elements have been used in the numerical model. Its first stage has involved conducting modal analysis in order to determine the modes of free vibrations and the corresponding natural frequencies for the empty...
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AUTOMATIC LEARNING OF STRATEGY AND RULES IN CARD GAMES USING IMAGE FROM CAMERA
PublikacjaBelow work tries to answer a question: if it is possible to replace real human with computer system in social games. As a subject for experiments, card games were chosen, because they require a lot of player interaction (playing and taking cards), while their rules are easy to present in form of clear list of statements. Such a system, should allow real players to play without constant worrying about guiding or helping computer...
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Student model representation for pedagogical virtual mentors
PublikacjaThe paper concerns technological aspects of virtual mentors construction, especially concentrating on the student model representation. The article distinguishes several types of information that is gathered by the pedagogical agents and other educational platforms, including student knowledge model, student progress tracking, interaction process patterns and learner preferences. A set of technologies used for the student model...
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Searching of the buried objects into the sea bottom by means of nonlinear acouctic methods
PublikacjaThe main goal of this paper is to introduce the methodology of preparing the area for investigations that will be carried out at the sea. As the first step there is recognition of the basic method both in the theory as well as experimental investigation. There were taken into account the nonlinear methods. These ones are very promising methods that have very interesting features, very convenient for examinations of the seabed structure....
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Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublikacjaThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
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Applications for investigating therapy progress of autistic children
PublikacjaThe paper regards supporting behavioral therapy of autistic children with mobile applications, specifically applied for measuring the child’s progress. A family of five applications is presented, that was developed as an investigation tool within the project aimed at automation of therapy progress monitoring. The applications were already tested with children with autism spectrum disorder. Hereby we analyse children’ experience...
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Optimizing of target detection and tracking processes realized on consoles of passive sonar with linear towed antenna
PublikacjaThe long-range passive towed sonar was first modernised a few years ago. Building on operator experience over that period, a concept was developed of optimising the tasks performed by sonar operators, and improving forms of imaging to inform about object detection and support object tracking. The concept was implemented and successfully tested during ships’ manoeuvres. The optimisation of operator tasks was designed to keep listening...
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Analogues of trypsin inhibitor SFTI-1 modified in the conserved P1′ position by synthetic or non-proteinogenic amino acids retain their inhibitory activity
PublikacjaA series of linear and monocyclic (with a disulfide bridge only) analogues of trypsin inhibitor SFTI-1 modified in the P-1 and/or P-1' positions were synthesized by the solid-phase method. In the substrate specificity P-1 position, Phe or N-benzylglycine (Nphe) were introduced, whereas the conserved Ser6 in Bownam-Birk (BBI) inhibitors was replaced by Hse (L-homoserine), Nhse [N-(2-hydroxyethyl)glycine], Sar, and Ala. Kinetic studies...
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Digital microcontroller for sonar waveform generator
PublikacjaGenerating sounding signals is essential for the operation of active sonar. The system should be highly reliable. This can be achieved through architecture, communication between the devices, and a well-designed and self–testing software. The system presented in the article is responsible for the generation of hydroacoustic sounding signals, and ensures proper interaction between power amplifiers and power supplies. Thanks to its...
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Local buckling of thin-walled channel member flange made of aluminum alloy
PublikacjaThe paper deals with local stability of the thin-walled compressed flange of channel columns and beams made of aluminum alloy. The aim of paper is to find critical stress of local buckling of the flange member taking into account the web-flange interaction in linear and nonlinear elastic range of the member material. The governing differential equation of the problem is derived with aid of the principle of stationary total potential...