Filters
total: 1388
filtered: 1057
-
Catalog
Chosen catalog filters
displaying 1000 best results Help
Search results for: CONFORMATIONAL TRANSITION
-
Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublicationWe 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...
-
Does the low optical band gap of yellow Bi3YO6 guarantee the photocatalytical activity under visible light illumination?
PublicationBi3YO6, which is known as an ionic conductor, was tested here as an electrode and photoanode in contact with aqueous electrolytes. Bi3YO6 was deposited onto the Pt substrate and the such prepared electrode was polarized in various aqueous electrolytes. The optical energy band gap of the material equal to 1.89 eV was determined using the Kubelka-Munk function resulting from the UV-Vis spectrum (allowed indirect transition) and also...
-
Methodology for assessing the lighting of pedestrian crossings based on light intensity parameters
PublicationOne of the possible preventive measures that could improve safety at crossings is to assess the state of illumination of the lighting installation located in the transition area for pedestrians. The City of Warsaw has undertaken to comprehensively assess the pedestrian crossings to determine the level of road safety and the condition of lighting. The lighting conditions related to pedestrian crossings without traffic lights in...
-
Stabilization of the pyrochlore phase of Mn2Sb2O7 by double substitution
PublicationPolycrystalline samples of (Ce4+Mn2+3)(Ga3+Sb5+3)O14 were synthesized by a high-temperature solid-state reaction. In contrast with the parent Mn2Sb2O7 compound that adopts a rhombohedral or monoclinic structure at T > 600 °C, the pyrochlore structure of CeMn3GaSb3O14 is retained up to at least T = 1070°C. High-resolution synchrotron x-ray diffraction measurements show no sign of a superstructure or distortion from cubic symmetry...
-
Fabrication and photoactivity of organic-inorganic systems based on titania nanotubes and PEDOT containing redox centres formed by different Prussian Blue analogues
PublicationHerein, the heterojunction composed of an inorganic substrate: ordered hydrogenated titania nanotubes (H-TiO2NTs) and a deposited organic film: poly(3,4-ethylenedioxythiophene) (PEDOT) is reported. The conducting polymer is modified with different transition metal haxacyanoferrates (Mehcf), wherein as metal: copper, iron, cobalt and nickel are introduced. The presence of various metal centres provides characteristic redox activity...
-
Antimony substituted lanthanum orthoniobate proton conductor – structure and electronic properties.
PublicationX‐ray and neutron diffraction have been utilized to analyze the crystalline and electronic structure of lanthanum orthoniobate substituted by antimony. Using X‐ray absorption spectroscopy and photoelectron spectroscopy, changes in the electronic structure of the material upon substitution have been analyzed. The structural transition temperature between fergusonite and scheelite phases for 30 mol% antimony substitution was found...
-
Structure and thermoelectric properties of nickel-doped copper selenide synthesised in a hydrogen atmosphere
PublicationNickel-doped copper selenide—Cu2-xNixSe (x = 0; 0.01; 0.02; 0.03)—materials with high thermoelectric properties were synthesised through reduction of reagents in hydrogen. The impact of the nickel content on both the microstructure and thermoelectric properties was examined. The nickel-doped samples’ microstructure differed significantly from pristine copper selenide. Besides Cu2Se, copper precipitations were present in the materials....
-
Energy Losses Due to Imperfect Payment Infrastructure and Payment Instruments
PublicationOne of the strategic objectives of the European Union is a reduction in greenhouse gas emissions and improvement of energy efficiency by at least 32.5% in different areas of the economy by 2030. However, little is known about the impact of payment in retail on energy consumption. The purpose of this paper is to assess the chain of losses of time and energy, and therefore financial losses, that occur due to the imperfection of payment...
-
ZNACZENIE CZYNNIKA PRACY W DOCHODZIE NARODOWYM
PublicationW większości krajów o rozwiniętej gospodarce rynkowej, udział pracy w dochodzie narodowym stale obniża się. W literaturze światowej wskazuje się różne przyczyny występowania tego zjawiska. Jedną z przy-czyn obserwowanej tendencji są nasilające się procesy globalizacji. Mają one wpływ na poziom dochodów osiąganych z tytułu świadczenia pracy, tym samym wpływają na udział pracy w dochodzie narodowym. Poza tym wśród czynników determinujących...
-
Oxolane Ammonium Salts (Muscarine-Like)—Synthesis and Microbiological Activity
PublicationCommercially available 2-deoxy-D-ribose was used to synthesize the appropriate oxolane derivative—(2R,3S)-2-(hydroxymethyl)oxolan-3-ol—by reduction and dehydration/cyclization in an acidic aqueous solution. Its monotosyl derivative, as a result of the quaternization reaction, allowed us to obtain eight new muscarine-type derivatives containing a quaternary nitrogen atom and a hydroxyl group linked to the oxolane ring. Their structure...
-
How acidic amino acid residues facilitate DNA target site selection
PublicationDespite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly participate in the base readout, with a strong preference for cytosine. In fact, in the solved DNA/protein structures, cytosine is recognized almost exclusively by Asp/Glu through a direct hydrogen bond, while at the same time, adenine, regardless of its amino group, shows no propensity for Asp/Glu. Here, we analyzed the contribution of Asp/Glu...
-
Rubrene Thin Films with Viably Enhanced Charge Transport Fabricated by Cryo-Matrix-Assisted Laser Evaporation
PublicationAmong organic semiconductors, rubrene (RB; C42H28) is of rapidly growing interest for the development of organic and hybrid electronics due to exceptionally long spin diffusion length and carrier mobility up to 20 cm2V−1s−1 in single crystals. However, the fabrication of RB thin films resembling properties of the bulk remains challenging, mainly because of the RB molecule’s twisted conformation. This hinders the formation of orthorhombic...
-
Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublicationThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
-
Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublicationHyaluronic 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...
-
Renewable Energy in the Pomerania Voivodeship—Institutional, Economic, Environmental and Physical Aspects in Light of EU Energy Transformation
PublicationIn the era of globalization and rapid economic growth, affecting most world economies, increased production and consumption are leading to higher levels of energy production and consumption. The growing demand for energy means that energy resources from conventional sources are not sufficient; moreover, its production generates high costs and contributes to the emission of greenhouse gases and waste. In view of the above, many...
-
Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublicationMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
-
QRS Morphology-Based EDR Signal—Factors Determining its Properties
PublicationRespiration-induced signals contain a clinically significant information. It could be obtained utilizing both direct and indirect methods. ECG-Derived Respiration (EDR) method is the latter one. However, in this case, two approaches could be distinguished. First one is based on determining changes in the morphology of QRS complexes while the second one is based on the Respiratory Sinus Arrhythmia (RSA) mechanism. The former approach...
-
Anomalous decay of quantum correlations of quantum-dot qubits
PublicationWe study the evolution of quantum correlations, quantified by the geometric discord, of two excitonic quantum-dot qubits under the influence of the phonon environment. We show that the decay of these correlations differs substantially from the decay of entanglement. Instead of displaying sudden-death-type behavior, the geometric discord shows a tendency to undergo transitions between different types of decay, is sensitive to nonlocal...
-
On phase equilibrium of an elastic liquid shell with wedge disclination
PublicationBased on the six-parameter shell theory we consider the phase equilibrium of a two-phase liquid membrane containing a wedge disclination. The considered problems are related to modelling of phase transitions in biological or lipid membranes. In order to capture the membrane behaviour we consider a special case of elastic shells which energy is invariant under major transformations of a reference configuration and can be treated...
-
Advancing Solar Energy: Machine Learning Approaches for Predicting Photovoltaic Power Output
PublicationThis research is primarily concentrated on predicting the output of photovoitaic power, an essential field in the study of renewable energy. The paper comprehensively reviews various forecasting methodologies, transitioning from conventional physical and statistical methods to advanced machine learning (ML) techniques. A significant shift has been observed from traditional point forecasting to machine learning-based forecasting...
-
A review on fungal-based biopesticides and biofertilizers production
PublicationThe escalating use of inorganic fertilizers and pesticides to boost crop production has led to the depletion of natural resources, contamination of water sources, and environmental crises. In response, the scientific community is exploring eco-friendly alternatives, such as fungal-based biofertilizers and biopesticides, which have proven effectiveness in enhancing plant health and growth while sustainably managing plant diseases...
-
Modelling and simulations in time-fractional electrodynamics based on control engineering methods
PublicationIn this paper, control engineering methods are presented with regard to modelling and simulations of signal propagation in time-fractional (TF) electrodynamics. That is, signal propagation is simulated in electromagnetic media described by Maxwell’s equations with fractional-order constitutive relations in the time domain. We demonstrate that such equations in TF electrodynamics can be considered as a continuous-time system of...
-
Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
-
Hydrogen-enhanced degradation and oxide effects in zirconium alloys for nuclear applications
PublicationThe zirconium alloys used in nuclear industry include mainly ZreSn and ZreNb alloys ofdifferent chemical composition, microstructure and susceptibility to both hydrogendegradation and oxidation. The hypothetic nuclear accidents can create a real danger tothe Zr alloys and stability of parts made of these alloys, and especially such as loss ofcoolant accident (LOCA) and reactivity initiated accidents (RIA). The hydrogen degradationcan...
-
The influence of temperature on properties of the polymer flexible joint used for strengthening historical masonries
PublicationA new method of repairing damaged structures by filling the cracks with a specially prepared elastomeric polymer mass has been recently proposed. This new and innovative technique, known as the Flexible Joint Method (FJM), is mainly dedicated to masonries and historical objects, where minimum intervention is permitted. The flexible joint bonds the disrupted elements and ensures further safe exploitation of a damaged structure....
-
Morphology and the physical and thermal properties of thermoplastic polyurethane reinforced with thermally reduced graphene oxide
PublicationIn this study, thermally reduced graphene oxide (TRG)-containing polyurethane nanocomposites were obtained by the extrusion method. The content of TRG incorporated into polyurethane elastomer systems equaled 0.5, 1.0, 2.0 and 3.0 wt%. The morphology, static and dynamic mechanical properties, and thermal stability of the modified materials were investigated. The application of TRG resulted in a visible increase in material stiffness...
-
Site-selective magnetic order of neptunium inNp2Ni17
PublicationWe present the results obtained by superconducting quantum interference device (SQUID) magnetometry, specific heat, and Mossbauer spectroscopy measurements carried out on Np2Ni17 polycrystalline samples. We show that long-range magnetic order, with a moment mu((2b)) similar to 2.25 mu(B), occurs below T-N = 17.5 K on the Np (2b) sites. A nontrivial situation is observed in that the other Np sites (2d) do not take part to the order...
-
Superconductivity and itinerant ferromagnetism of Y9Co7 probed by ac susceptibility
PublicationThe ac magnetic susceptibility of a single crystal sample of the compound Y9Co7 has been measured in applied dc fields ranging from 0–6.7 kOe by utilizing a tunnel diode resonator circuit. In agreement with previous measurements on this material, a superconducting transition has been observed to occur at TSC ≈ 2.5 K. A broad maximum has been observed in the zero field susceptibility measurements from 2.5 K < T < 8 K and its behavior...
-
Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublicationThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
-
A large family of filled skutterudites stabilized by electron count
PublicationThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
-
IDENTIFICATION OF THE INTERFECE OF LATERAL SLIDE BEARINGS
PublicationIn the paper, the model of slide bearings of motor engine, the metodology of research on this type of bearings and its results are presented measurement standpoint consisting of main elements of Briggs & Stratton 550 serie 10 T 802 model piston motor engine driven by three phase elektric engine is introduced . On the measurement standpoint are measurements were done, needed for specification...
-
Virulence of Clinical Candida Isolates
PublicationThe factors enablingCandidaspp. infections are secretion of hydrolytic enzymes, adher-ence to surfaces, biofilm formation or morphological transition, and fitness attributes. The aim of thisstudy was to investigate the correlation between known extracellular virulence factors and survivalofGalleria mellonellalarvae infected with clinicalCandida. The 25 isolates were tested and the activityof proteinases among 24/24, phospholipases...
-
Metal (Mo, W, Ti) Carbide Catalysts: Synthesis and Application as Alternative Catalysts for Dry Reforming of Hydrocarbons—A Review
PublicationDry reforming of hydrocarbons (DRH) is a pro-environmental method for syngas production. It owes its pro-environmental character to the use of carbon dioxide, which is one of the main greenhouse gases. Currently used nickel catalysts on oxide supports suffer from rapid deactivation due to sintering of active metal particles or the deposition of carbon deposits blocking the flow of gases through the reaction tube. In this view,...
-
Inhibitors of glucosamine-6-phosphate synthase as potential antimicrobials or antidiabetics – synthesis and properties
PublicationGlucosamine-6-phosphate synthase (GlcN-6-P synthase) is known as a promising target for antimicrobial agents and antidiabetics. Several compounds of natural or synthetic origin have been identified as inhibitors of this enzyme. This set comprises highly selective L-glutamine, amino sugar phosphate or transition state intermediate cis-enolamine analogues. Relatively low antimicrobial activity of these inhibitors, poorly penetrating...
-
Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
-
Support Product Development Framework by Means of Set of Experience Knowledge Structure (SOEKS) and Decisional DNA
PublicationIn this paper, we propose a framework to support product development activi-ties by utilizing Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA). This idea will provide a new direction to researchers working on product development, especially designers and manufacturers. They will be working on the same platform and this will be reducing their communication gap. Once the final idea is perceived about product...
-
La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublicationThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
-
Recycled Polyurethane as a Second Phase in Thermoset Blends and Its Effect on Thermal Degradation Kinetics Studies
PublicationA new approach is introduced in the modification of thermosetting polymer by using different amount of polyurethane of waste origin. The post consumer polyurethane foam coatings are degraded using glycolysis process and the recycled product is further converted into new polyurethane. The blending of recycled polyurethane with epoxy exhibits transparency and produces nanostructures. The effective interaction between two polymers...
-
Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
-
Study of Phase and Chemical Composition of Bi1-xNdxFeO3 Powders Derived by Pressureless Sintering
PublicationIn the present paper studies on Bi1xNdxFeO3 for x =0.1-0.4 are reported. The mixed oxide method followed with pressureless sintering was employed for ceramics fabrication. Thermal behavior of stoichiometric mixtures of simple oxide powders, viz. Bi2O3, Nd2O3 and Fe2O3 was studied by simultaneous thermal analysis. It was found that with an increase in neodymium content the weight loss increased from 0.75% to 3.16% for x =0.1 and...
-
New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing
PublicationSingle crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were...
-
Information transfer during the universal gravitational decoherence
PublicationRecently Pikovski et al. (Nat Phys 11:668, 2015) have proposed in an intriguing universal decoherence mechanism, suggesting that gravitation may play a conceptually important role in the quantum-to-classical transition, albeit vanishingly small in everyday situations. Here we analyze information transfer induced by this mechanism. We show that generically on short time-scales, gravitational decoherence leads to a redundant information...
-
Antecedents to Achieve Kanban Optimum Benefits in Software Companies
PublicationIn 2004, Kanban successfully entered into the Agile and Lean realm. Since then software companies have been increasingly using it in software development teams. The goal of this study is to perform an empirical investigation on antecedents considered as important for achieving optimum benefits of Kanban use and to discuss the practical implications of the findings. We conducted an online survey with software professionals from...
-
Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublicationTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
-
Receiver-side fingerprinting method based on quaternion sandwich product
PublicationIn this paper a new receiver-side fingerprinting method for color images is proposed. The proposed method belongs to the group of Joint Fingerprinting and Decryption (JFD) methods. Each component of the color image is represented as a point in 3D space, which is formed by 3 color channels. Encryption and fingerprinting can be interpreted as rotation, scaling and translation of these points. Calculations are performed using quaternion...
-
Nonlinear FEM analysis of irregular shells composed of fiber metal laminates
PublicationThe paper deals with the analysis of failure initiation in shells made of Fiber Metal Laminates (FML). The elas-tic material law for orthotropic lamina is stated accounting for asymmetric in-plane stress and strain measures. The asymmetry results from the employed general nonlinear 6-field shell theory where the generalized dis-placements involve the translation and the proper rotation field. The novelty of the presented results...
-
Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublicationCod gelatin films before and after cross-linking of gelatin with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) or transglutaminase (TGase) have been characterized by FT-IR spectroscopy and DSC analysis. For comparison, a film prepared from unmodified pig gelatin has been also analysed. The difference spectra showed that cod gelatin during the film formation involved first of all water-to-amide hydrogen bonds, and the film...
-
3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea
PublicationIn the title compound, C32H30N4O2S2, the carbonyl and thiocarbonyl groups are found in a rare synclinal conformation, with an S-C···C-O pseudo-torsion angle of 62.6(2)°. The molecule has Ci = S2 point-group symmetry with a crystallographic center of inversion located in the middle of the ethylene bridge. One of the symmetry-independent phenyl...
-
Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublicationFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
-
Interactions of telomeric proteins with nucleic acids: sequence recognition on intact and oxidatively damaged telomeres
PublicationTelomeres are complex nucleoprotein assemblies that play a vital role in the maintenance of functional ends of linear chromosomes. Telomeric DNA, composed of tandem repeats of the 5'-TTAGGG-3' motif, solves the so-called end replication problem: as chromosomes shorten with each cell division, no information is lost, and the telomere can be re-extended. In the cell, many protein factors regulate telomere length, nuclear positioning...