Filtry
wszystkich: 1502
wybranych: 1300
-
Katalog
- Publikacje 1300 wyników po odfiltrowaniu
- Czasopisma 28 wyników po odfiltrowaniu
- Konferencje 21 wyników po odfiltrowaniu
- Osoby 25 wyników po odfiltrowaniu
- Projekty 1 wyników po odfiltrowaniu
- Zespoły Badawcze 1 wyników po odfiltrowaniu
- Kursy Online 11 wyników po odfiltrowaniu
- Wydarzenia 1 wyników po odfiltrowaniu
- Dane Badawcze 114 wyników po odfiltrowaniu
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: atom-molecule interaction
-
Crystal and molecular structure of lithium iodide complex of 13-membered azoxycrown ether
PublikacjaPublikacja zawiera uzupełniające informacje do znalezionej wcześniej korelacji między typem kationu, rozmiarem makrocyklu i cechami struktury krystalicznej kompleksów a selektywnością elektrod membranowych dotowanych odpowiednimi azo- lub azoksykoronami. Ustalono strukturę krystaliczną i molekularną kompleksu 13-członowej azoksykorony (L13-O) z jodkiem litu. Stechiometria kompleksu jest 1:1. Kryształ zbudowany jest z hydratowanych...
-
Structural Factors Affecting Cytotoxic Activity of (E)-1-(Benzo[d ][1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-one Derivatives
PublikacjaDerivatives of (E)-1-(5-alkoxybenzo[d][1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-one (1) demonstrated exceptionally high in vitro cytotoxic activity, with IC50 values of the most active derivatives in the nanomolar range. To identify structural fragments necessary for the activity, several analogs deprived of selected fragments were prepared, and their cytotoxic activity was tested. It was found that the activity depends on combined effects...
-
Superconductivity of Ta-Hf and Ta-Zr alloys: Potential alloys for use in superconducting devices
PublikacjaThe electronic properties relevant to superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in a large part to determine whether their properties are suitable for potential use in superconducting qbits. The body centered cubic unit cell sizes increase with increasing alloying. The results of magnetic susceptibility, electrical resistivity, and heat capacity characterization are reported. While elemental...
-
INFORMATION ABOUT DYNAMICS OF THE SEA SURFACE AS A MEANS TO IMPROVE SAFETY OF THE UNMANNED VESSEL AT SEA
PublikacjaOne of the fundamental states of the sea surface is its heave. Despite of years of the intense scientific inquiry, no clear understanding of the influence of this aspect on the dynamics of the sea environment has emerged. The separation of two nearby fluid elements which one may observed for example as a free floating of small objects on the sea surface (rescuers on the rough sea or small research vessels) is caused by the interaction...
-
Effect of ectoine on hydration spheres of peptides–spectroscopic studies
PublikacjaIn this paper, we use FTIR spectroscopy to characterize the hydration water of ectoine, its interactions with two peptides–diglycine and NAGMA, and the properties of water molecules in the hydration spheres of both peptides changed by the presence of the osmolyte. We found that the interaction of ectoine with the peptide hydration shells had no effect on its own hydration sphere. However, the enhanced hydration layer of the osmolyte...
-
Surface Plasmon-Coupled Emission of Rhodamine 110 Aggregates in a Silica Nanolayer
PublikacjaFirst analysis of strong directional surface plasmon-coupled emission(SPCE) of ground-state formed intermolecular aggregates of Rhodamine 110 (R110) insilica nanofilms deposited on silver nanolayers is reported. Until now, the processes ofenergy transport and its trapping due to aggregate formation have not been studied in the presence of SPCE. A new approach to multicomponent systems with weakly and strongly fluorescent centers...
-
Light-Induced Transformation of the Aromatic Heptaene Antifungal Antibiotic Candicidin D into Its All-Trans Isomer
PublikacjaIllumination of the aromatic heptaene macrolide antifungal antibiotic candicicin D with UV light results in an isomerization of the molecule. The product formed after irradiation of the candicidin complex with UV light (λ=365nm), namely, iso-candicidin D, was isolated and subjected to 2D NMR studies, consisting of DQF-COSY, ROESY, TOCSY, HSQC, and HMBC experiments. The obtained spectral data unambiguously evidenced that iso-candicidin...
-
Threshold photoelectron studies of isoxazole over the energy range 9.9-30 eV
PublikacjaThe threshold photoelectron spectrum of the isoxazole molecule, C3H3NO has been measured over the photon energy range 9.9-30 eV with the use of synchrotron radiation. In the 9.9-10.8 eV range, corresponding to photoionization from the highest occupied molecular orbital 3a"(π3), seven well resolved vibrational series have been observed and their modes are tentatively assigned. A strong adiabatic ionization, with an energy of 11.132...
-
Interactive Information Retrieval Algorithm for Wikipedia Articels
PublikacjaThe article presents an algorithm for retrieving textual information in documents collection. The algorithm employs a category system that organizers the repository and using interaction with user improves search precision. The algorithm was implemented for simple English Wikipedia and the first evaluation results indicates the proposed method can help to retrieve information from large document repositories.
-
Active and Dynamic Graphical Code for Object Identification in Healthcare
PublikacjaA new approach for item marking using two dimensional discrete graphics markers. Proposed solution allow o change the code rapidly, upon request and in the case of thermal markers make the code invisible for unauthorized observers. Connecting the proposed codes with wearable multmedial platform such as eGlasses can create new possibilities in human-environment interaction.
-
Design of new cholinesterase inhibitors based on phosphorus analogs of tacrine as potential anti-Alzheimer’s disease agents
PublikacjaBased on the analysis of the determined free binding energy (using the AutoDock Vina 1.1.2 docking program), the most potent cholinesterase inhibitors were selected. Moreover, studies of 3D visualization of the results of molecular modeling led to the identification of potential sites for the interaction of new potential inhibitors with amino acid residues building active sites of investigated cholinesterases.
-
Distributed infrastructure of self-organizing service servers
PublikacjaThis paper presents an idea of creating distributed system consisting of autonomous self-organizing service providers. It shows a real implemented system allowing for dynamic service search without interaction with client based on the inter-servers communication. Moreover presented system can be easily enriched with new elements without the need for restarting already existing servers.
-
Application of the 2-deoxyglucose scaffold as a new chiral probe for elucidation of the absolute configuration of secondary alcohols
PublikacjaHerein, we present the application of 2-deoxy-D-glucose derivatives as chiral probes for elucidation of the absolute configuration of chiral secondary alcohols. The probes are attached to the studied molecules via glycosylation reaction and the resulting products are examined by a set of standard 2D NMR experiments. The absolute configuration of an oxymethine carbon atom binding the probe is established on a basis of a set of diagnostic...
-
FDTD Simulations on Disjoint Domains with the Use of Discrete Green's Function Diakoptics
PublikacjaA discrete Green's function (DGF) approach to couple disjoint domains in the finite-difference time-domain (FDTD) grid is developed. In this method, total-field/scattered-field (TFSF) FDTD domains are associated with simulated objects whereas the interaction between them is modeled with the use of the DGF propagator. Hence, source and scatterer are simulated in separate domains and updating of vacuum cells, being of little interest,...
-
An new method of audio-visual correlation analysis
PublikacjaThis paper presents a new methodology of conducting the audio-visual correlation analysis employing the gaze tracking system. Interaction between two perceptual modalities, seeing and hearing, their interaction and mutual reinforcement in a complex relationship was a subject of many research studies. Earlier stage of the carried out experiments at the Multimedia Systems Department (MSD) showed that there exists a relationship between...
-
In vitro antioxidative and binding properties of phenolics in traditional, citrus and exotic fruits
PublikacjaMany polyphenols bind proteins, therefore our research was focused on the potential of protein binding to polyphenols of investigated fruits and their health-related effects. The contents of polyphenols and related antioxidant activities of traditional, citrus and exotic fruits were compared. The presence of polyphenols (flavonoids and phenolic acids) in the investigated samples and their interaction with human serum albumin (HSA)...
-
Modal analysis of a steel grandstand
PublikacjaAmong the issues related to the idea of sustainable society is the safety of civil engineering structures devoted to satisfy different needs of people. One of the types of structures devoted to satisfy recreational needs are grandstands, which are used during sport events or music concerts. It is obligatory to consider interaction between structure and crowd load especially when the crowd movement involves rhythmic jumping, dancing,...
-
Mechanical behaviour of the implant used in human hernia repair under physiological loads
PublikacjaIn laparoscopic operations of abdominal hernias some recurrences still take place, even when applying a surgical mesh. This is usually caused by a failure of the connection between the tissue and the implant. The study deals with the influence of an implant’s orientation on forces in joints, which connect the mesh to human tissues. In the paper, the implant is modelled as a membrane structure within framework of the Finite Element...
-
Properties of Different Varieties of Durian
PublikacjaDurian (Durio zibethinus Murr.), like many other exotic, tropical, and conventional fruits, is important in the prevention of different diseases. In this study, the characterization of the main bioactive compounds of the most popular cultivars of durian and their properties are described. The changes in the quality indices of the antioxidant status were determined by CUPRAC, ABTS, FRAP, DPPH, and ORAC assays. The profiling of phytochemicals...
-
Stress Detection of Children with Autism using Physiological Signals in Kaspar Robot-Based Intervention Studies
PublikacjaThis study aims to develop a stress detection system using the blood volume pulse (BVP) signals of children with Autism Spectrum Disorder (ASD) during robot-based interven- tion. This study presents the heart rate variability (HRV) analysis method to detect the stress, where HRV features are extracted from raw BVP signals recorded from an E4 wristband during interaction studies with the social robot Kaspar. Low frequency power...
-
Chemical Vapor Transport Route toward Black Phosphorus Nanobelts and Nanoribbons
PublikacjaChemical vapor transport (CVT) method is widely used for bulk black phosphorus (BP) fabrication. In this work, we demonstrate that CVT provides a route for the fabrication of BP nanoribbons and nanobelts. This method consists of a two-step procedure, including initial BP column growth using the CVT technique, followed by ultrasonic treatment and centrifugation. The obtained nanostructures preserve BP column dimensions, forming...
-
Structural Variety of Cobalt(II), Nickel(II), Zinc(II), and Cadmium(II) Complexes with 4,4′-Azopyridine: Synthesis, Structure and Luminescence Properties
PublikacjaSelf-assembled bi- and polymetallic complexes of CoII, NiII, ZnII, and CdII were obtained by the reaction of 4,4′-azopyridine (azpy) with metal tri-tert-butoxysilanethiolates (Co, 1; Cd, 2), acetylacetonates (Ni, 3; Zn, 4), and acetates (Cd, 5). All compounds were characterized by single-crystal X-ray structure analysis, elemental analysis, FTIR spectroscopy, and thermogravimetry. Complexes 1, 2 and 4, 5 exhibit diverse structural...
-
Chemical Vapor Transport Route toward Black Phosphorus Nanobelts and Nanoribbons
PublikacjaChemical vapor transport (CVT) method is widely used for bulk black phosphorus (BP) fabrication. In this work, we demonstrate that CVT provides a route for the fabrication of BP nanoribbons and nanobelts. This method consists of a two-step procedure, including initial BP column growth using the CVT technique, followed by ultrasonic treatment and centrifugation. The obtained nanostructures preserve BP column dimensions, forming...
-
Thriving in multicultural workplace
PublikacjaThriving at work is defined as the psychological state that links both a sense of vitality and learning. The vitality component of thriving may be seen as positive energy, while learning enhances a sense of competence and efficacy. Thriving sheds new light on individual psychological functioning and the experience of growth in the work context. Thriving at work promotes growth through playing an active role in interaction with...
-
Excitation of Waves in a Dispersive Medium. Example of Flow of a Bubbly Liquid
PublikacjaThe excitation of wave motion by an external source and the interaction of modes inherent to a ow in a dispersive medium are considered. Dispersion is caused by the presence of gaseous bubbles in a liquid. A large variety of steady excited waveforms is possible when the exciting wave is also steady and propagates at a constant velocity. The velocities of the exciter and forced waves may be dierent. This leads to a variety of non-stationary...
-
Electron-scattering cross sections for selected alkyne molecules: Measurements and calculations
PublikacjaWe report cross-section results from experimental and theoretical studies on electron collisions with 1-butyne (HC≡C–CH2CH3) and acetylene (HC≡CH) molecules and from computations for a propyne (HC≡C–CH3) molecule. Absolute grand -total electron-scattering cross sections (TCSs) were measured at impact energies ranging from about 0.5 to 300 eV using the linear electron-transmission method. The TCS energy curve for 1-butyne has a...
-
Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublikacjaWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
-
Role of methylation in electron scattering on X(CH3)4 (X= C, Si, Ge) molecules (2)
PublikacjaTo investigate how replacement of H atom with methyl group (CH3) – in tetrahedral compounds of carbon, silicon and germanium – affects electron scattering process, total cross sections (TCS) for electron scattering from C(CH3)4, Si(CH3)4 and Ge(CH3)4 molecules have been compared with data for CH4, SiH4 and GeH4 molecules. All examined data have been obtained with the same experimental setup. The shape of all discussed TCS energy...
-
Heteroleptic tri-tert-butoxysilanethiolate complexes of manganese(II) - thermal studies
PublikacjaThe thermal behavior of Mn(II) silanethiolate series [Mn(SR)2L(MeOH)n], where R=SSi(OBut)3, L=heterocyclic nitrogen base and n=0, 1 or 2 has been comparatively investigated using differential scanning calorimetry (DSC), thermogravimetry (TG) and TG-infrared spectoscopy (IR) techniques. The TG curves indicate the differences in the thermal decomposition due to presence of distinct N-donor ligands and labile MeOH molecules coordinated...
-
ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublikacjaSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
-
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
PublikacjaThis article presents crystal structures of chalcogenadiazolecarboxylic acids bearing both a hydrogen and a chalcogen bond donor. The selected molecules varied in the size of the aromatic unit, the chalcogen atom and/or the position of the carboxyl group in the core structure. The most common synthons in their lattice are "R" _"2" ^"2" (8) self-complementary acid dimers or four-membered [Ch···N]2 rings. Supramolecular synthons...
-
A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublikacjaThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
-
Tetraethylammonium bis(N,N-diethyldithiocarbamato-k2S,S')iodocadmate(II)
PublikacjaW ramach prezentowanej pracy otrzymano bis-(N,N-dietyloditiokarbaminiano-2S,S')jodokadmian tetraetyloamoniowy, krystalizujący w układzie rombowym, w grupie przestrzennej Pnma. Związek ten posiada kompleksowy anion [Cd(S2NEt2)2I]-, w którym do centralnego atomu Cd przykoordynowane są dwa kleszczowe ligandy ditiokarbaminianowe oraz atom jodu. Centralny rdzeń tego związku, w odróżnieniu od innych układów typu [Cd(dtc)X], posiada...
-
PHYSICAL MODELLING OF GEOTECHNICAL STRUCTURES IN PORTS AND OFFSHORE
PublikacjaThe physical modelling of subsoil behaviour and soil-structure interaction is essential for the proper design of offshore structures and port infrastructure. A brief introduction to such modelling of geoengineering problems is presented and some methods and experimental devices are described. The relationships between modelling scales are given. Some examples of penetration testing results in centrifuge and calibration chamber...
-
Kerogen to bitumen transformation with respect to host rock environment
PublikacjaResearch focuses on analyzing the role of rock constituents in kerogen transformation. It includes mineral and organic matter characterization, kerogen and bitumen isolation, quantification, and determination of the critical factors of transformation ratio concerning generating mobile versus less mobile hydrocarbons. The results indicate that the ratio mainly depends on the distribution and type of kerogen in the basin, and secondly...
-
Reactions of methyl radicals with silica supported silver nanoparticles in aqueous solutions
PublikacjaSilica supported silver nanoparticles (Ag°–SiO2 –NCs, NCs=nanocomposites) suspended in aqueous solutions are efficient catalysts for the dimerization of methyl radicals to produce ethane, while bare silica is quite inert towards the interaction with methyl radicals. In the presence of small amounts of ethanol adsorbed on the SiO2 surface, the reaction path with methyl radicals is changed and methane is formed as the major product.
-
Analytical Techniques Used in Monitoring of Atmospheric Air Pollutants
PublikacjaThe air pollution monitoring is one of the most pressing environmental problems today. The paper describes common air pollutants, their interaction and impact on the environment, and classifies the techniques and methods applied in air studies. Furthermore, the review characterizes the selected collection and sampling techniques used for gas sample analysis. Finally, the schematic diagrams of typical designs of systems applied...
-
Control of mass concentration of reagents by sound in a gas with nonequilibrium chemical reactions
PublikacjaThe weakly nonlinear dynamics of a chemically reacting gas is studied. Nonlinear interaction of acoustic and nonacoustic types of motion are considered. We decompose the base equations using the relationships of the gas-dynamic perturbations specific for every type of motion. The governing equation for the mass fraction of a reagent influenced by dominating sound is derived and discussed. The conclusions concern the equilibrium...
-
On a Method of Efficiency Increasing in Kaplan Turbine
PublikacjaThis paper presents a method of increasing efficiency in Kaplan-type turbine. The method is based on blade profile optimisation together with modelling the interaction between rotor and stator blades. Loss coefficient was chosen as the optimisation criterion, which is related directly to efficiency. Global optimum was found by means of Genetic Algorithms, and Artificial Neural Networks were utilised for approximations to reduce...
-
Modelling of Geared Multi-Rotor System
PublikacjaIn the paper the method of modelling a speed-varying geared rotor system is presented. The proposed approach enables us to obtain an accurate low-order lumped parameter representation of the investigated system. The final model consists of reduced modal models of an undamped beam/torsional shaft system as well as a spatially lumped model of other linear and nonlinear phenomena including gear mesh interaction.
-
Collagen and hyaluronic acid hydrogel in water-in-oil microemulsion delivery systems
PublikacjaThe efficacy of microemul-sion in dermal and transdermal delivery of active ingredients. Here, we assessed the water-in-oilmicroemulsion capacity to incorporate two natural polymers, i.e. collagen and hyaluronic acid withlow and high molecular weight. Systems were extensively characterized in terms of conductivity, phaseinversion studies, droplet diameter, polydispersity index and rheological properties. The results of thisresearch...
-
Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
-
Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
-
Complexation of amino acids derivatives in water by calix[4]arene phosphonic acids
PublikacjaSeries of the calix[4]arene phosphonic acids with various substituents at the lower rim was synthesized. Complexing properties of these receptors towards methyl esters of six amino acids strongly depended on the calix[4]arene conformation flexibility. The complex formation processes were monitored using 1H NMR spectroscopy (deuterated phosphate buffer at pD 7.3, 22 oC) and association constant values were evaluated. Inherently...
-
Aggregation of nonionic surfactants in imidazolium ionic liquids
PublikacjaMicellar aggregation of surfactants in aqueous solutions has been described in terms of the balance between dispersive interactions of the hydrocarbon part of the amphiphilic molecule, and the hydration and electrostatic repulsive effects of hydrophilic head group. Changing the interactions by replacing water with another polar solvent, such as amides or glycols, has been studied to a smaller extent (Singh, Saleem et al. 1980;...
-
Benzene-induced hydro(solvo)thermal synthesis of Cu2+ and Zn2+ coordination polymers based on 1,3-benzenedicarboxylate
PublikacjaHydro(solvo)thermal reactions of Cu(NO3)2·2.5H2O or Zn(NO3)2·6H2O with 1,3-H2bdc provided two structurally different coordination polymers; a 2D network “metallacalixarene” based on the paddlewheel-type cluster with the formula [Cu(1,3-bdc)·H2O]·H2O (1) and a 3D framework [Zn(1,3-bdc)] (2), respectively. The use of a base was unnecessary in this synthesis; however, the presence of benzene played a crucial role in the crystallization...
-
A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublikacjaIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
-
Synthesis of disubstituted 1,3,4,9-tetrahydropyrano-[3,4-b]indole-1-acetic acids derivatives
Publikacja1,3,4,9-tetrahydropyrano[3,4-b ]indole-1-acetic acid derivatives are of interest for pharmaceutical research as a core structure for synthesis of biological active substance - Etodolac (selective Cyclooxygenase-2 inhibitor, which belongs to the Non-steroidal Anti-inflammatory Drug, NSAID, that shows a clin-ically effective analgesic and anti-inflammatory activity). Here the way of synthesis of two 1,3,4,9-tetrahydropyrano[3,4-b...
-
Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublikacjaWe study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this process, the dimer is excited from the ground triplet state 1^3Sigma+ to the 1^3Pi state using the femtosecond laser impulse and the spin-orbit coupling between the 1^3Pi and 2^1Sigma+ states results...
-
Static load test on concrete pile – instrumentation and results interpretation
PublikacjaFor some time (since 8-10 years in Poland) a special static load tests on instrumented piles are carried out. Such studies are usually of a scientific nature and provide detailed quantitative data on the load transfer into the ground and characteristics of particular soil layers interaction with a pile shaft and pile base. Deep knowledge about the pile-subsoil interaction can be applied for a various design purposes, e.g. numerical...