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- Publikacje 1057 wyników po odfiltrowaniu
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Wyniki wyszukiwania dla: CONFORMATIONAL TRANSITION
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublikacjaPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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Arch./Urban Project II
Kursy OnlineA design studio focused on issues related to the creation of sustainable and climate-responsible facilities. The design task is related to the concept of development of the Gdańsk University of Technology campus. The implemented project will be both a task related to urban and architectural design. A very important element of the design process will be a smooth transition between various scales and problems that architects and...
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The Boltzmann sequence-structure channel
PublikacjaWe rigorously study a channel that maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein statistics. This channel, which we also call the Boltzmann sequence-structure channel, is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. In our previous work, we verified experimentally that the channel capacity has a phase transition for...
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MgPdSb─An Electron-Deficient Half-Heusler Phase
PublikacjaThe half-Heusler family consists of many semiconducting intermetallic compounds, virtually all of them having a valence electron count (VEC) of 18. We have studied an electron-deficient (VEC = 17) phase MgPdSb and its Pd-stuffed variant MgPd1.25Sb. The cubic F4̅3m crystal structure was confirmed by the Rietveld refinement of powder X-ray diffraction (XRD) data. The lattice parameter is a = 6.284 and 6.335 Å for MgPdSb and MgPd1.25Sb,...
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Effect of pine impregnation and feed speed on sound level and cutting power in wood sawing
PublikacjaThe sound levels along with the cutting power registered during the sawing process of the impregnated and non-impregnated pine wood at two feed speeds are shown and compared in this paper. Statistically significant differences in the acoustic signals occurred at the lower feed rate. The differences became smaller with an increase in the feed speed. In contrast to the sound signal, the differences...
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On the electronic structure of methyl butyrate and methyl valerate
PublikacjaWe present novel results of the analysis of the electronic structure of two aliphatic esters: methyl butyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectron spectra recorded...
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A simple model of the trap-assisted recombination with the excitonic Auger mechanism
PublikacjaWe present a simple model of the trap-assisted recombination combined with the excitonic Auger mechanism. It has been shown that only six independent transitions of electrons and holes should be taken into account to describe a combination of the Shockley–Read–Hall (SRH) recombination with this excitonic process. This is in opposition to a well-known model of the SRH mechanism with the free carriers Auger effect via deep states,...
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Early Stages of RNA-Mediated Conversion of Human Prions
PublikacjaPrion diseases are characterized by the conversion of prion proteins from a PrPC fold into a disease-causing PrPSC form that is self-replicating. A possible agent to trigger this conversion is polyadenosine RNA, but both mechanism and pathways of the conversion are poorly understood. Using coarse-grained molecular dynamic simulations we study the time evolution of PrPC over 600 μs. We find that both the D178N mutation and interacting...
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CAISE Chmurowa Platforma (CAISE) do wytwarzania uniwersalnych usług inteligentnych dla różnych obszarów zastosowań
ProjektyProjekt realizowany w Dział Usług Chmurowych zgodnie z porozumieniem KPOD.05.10-IW.10-0005/24 z dnia 2024-07-23
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublikacjaN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Flow Maps and Flow Patterns of R1233zd(E) in a Circular Minichannel at Low, Medium and High Values of Saturation Pressure
PublikacjaThere is a gap in knowledge regarding the flow pattern of low-boiling working fluids in the range of high saturation temperatures (above 120°C) and medium and high reduced pressures (0.5-0.9). Data are present in the literature for similar values of reduced pressures, but for lower values of saturation temperature. This is due to the existing refrigeration applications of these working fluids. At high values of reduced pressure,...
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Synthesis, crystal structure and cytotoxic activity of ruthenium(II) piano-stool complex with N,N-chelating ligand
PublikacjaA mononuclear compound of the general formula [(η6-p-cymene)RuIICl(2,2′-PyBIm)]PF6 has been synthesized from a bidentate N,N-donor ligand, viz. 2,-(2′-pyridyl)benzimidazole (2,2′-PyBIm) and the corresponding chloro-complex [(η6-p-cymene)Ru(μ-Cl)Cl]2 (precursor). The isolated coordination compound was characterized by IR, UV–vis and 1H, 13C NMR spectroscopies. The single crystal X-ray analysis of the complex reveals that the asymmetric...
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APPLICATION OF THE THEORY OF SEMI-MARKOV PROCESSES TO DETERMINE A LIMITING DISTRIBUTION OF THE PROCESS OF CHANGES OF ABILITY AND INABILITY STATES OF FUEL SUPPLY SYSTEMS IN HEAVY FUEL DIESEL ENGINES
PublikacjaThe paper presents applicability of the theory of semi-Markov processes to determine a limiting distribution of the process of changes of technical states of fuel systems for marine engines running on heavy fuel oils. The proposed study of this process includes the components of such fuel systems like: 1 - injectors, 2 - high pressure hoses, 3 - injection pumps, 4 - low pressure hoses, 5 – fine filters, 6 - coarse filters, 7 – fuel-feed...
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(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublikacjaThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
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Novel Polyurethanes as Antifouling Paint Matrices
PublikacjaThe new poly(ester-ether urethane)s (PEEUR) were prepared in two stage synthesis from formerly obtained oligo(alkylene ester-ether)diols (OAEE) and 4,4‘-diphenylmethane diisocyanate (MDI). PEEUR samples were subjected to crosslinking with styrene in the presence of radical polymerization initiators: methyl ethyl ketone peroxide (MEKPO) or cobalt 2-ethyl cyclohexanoate (EtHCo). Crosslinked PEEUR were characterized by their physicochemical...
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High-conducting Bi4V2-xFexO11-δ ceramics containing Fe2O3 nanocrystals: Structure and properties
PublikacjaThe topography, structure, thermal, magnetic, and electrical properties of Bi4V2-xFexO11-δ ceramics substituted with x = 0.5 and 0.7 Fe were studied. The microscope analysis showed the presence of iron-rich nanocrystals formed on the Bi-Fe-V-O grains. The X-ray diffraction studies confirmed that grains are built mostly of tetragonal Bi4V1.5Fe0.5O10.5 phase. Thermal properties analysis showed an order-disorder type γ ↔ γʹ phase...
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Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
PublikacjaThe structure of B-DNA, the physiological form of the DNA molecule, has been a central topic in biology, chemistry and physics. Far from uniform and rigid, the double helix was revealed as a flexible and structurally polymorphic molecule. Conformational changes that lead to local and global changes in the helix geometry are mediated by a complex choreography of base and backbone rearrangements affecting the ability of the B-DNA...
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The role of ergonomics in architectonic and marketing operations
PublikacjaThe 20th century, along with the development of mass culture, brought a rapid increase of marketing communications significance. At first, this branch of art had an informational function associated with advertising operations. Nowadays, an increase of marketing specialists’ interest in influencing a human being by the space they stay in may be observed. Ergonomics plays an important role in such operations. The aim of this article...
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Robert Skrzypczyński dr inż.
OsobyFaculty Member at the Gdansk University of Technology, Department of Urban Design and Regional Planning. My research interests revolve around modelling degrowth-oriented urban/regional metabolism scenarios as well as policy formulation for degrowth transitions.
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Joanna Bach-Głowińska dr inż. arch.
OsobyI am an architect by education (M.Sc. Arch 1994) and practice (1994-2011), a Town Planner by practice (1999-2017, Ministerial Entitlements 1655/2002), and a Researcher (Ph.D.2012, Postdoctoral Research Fellow at Glasgow School of Art 2013 - 2015, also teaching on Gdansk University of Technology since 2014). I have been the Principal Investigator of Era Net Urban Transformation Capacities EmbedterLabs: Better Embedded Labs for More...
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Demography 2024/2025
Kursy OnlineDiscover how global demographic changes shape economic and social values across regions. This course explores population trends, demographic structures, and their volatility, providing insights into factors like migration, mortality, and urbanization. Learn to analyze demographic data, create projections, and understand key concepts like the demographic transition. Discuss current challenges, such as China's one-child policy and...
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Stimulated by cyclodextrins high yield synthesis of azocrown analogues comprising pyrrole or imidazole residues
PublikacjaThe influence of cyclodextrins (CDs) on the formation of azocrown ethers comprising pyrrole, imidazole and substituted imidazole has been studied. Pyrrole, imidazole, 2-methyl-, 4-methyl- and 4-phenylimidazole were coupled with bisdiazonium salts derived from bis-1,5-(2-aminophenoxy)-3-oxapentane or bis-1,8-(2-aminophenoxy)-3,6-dioxaoctane to form macrocyclic compounds with two azo units. The syntheses were performed under standard...
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Characterization of 1,3-alternate calix[4]arene-silica bonded stationary phases and their comparison to selected commercial columns by using principal component analysis
PublikacjaTwelve calix[4]arene stationary phases in 1,3-alternate conformation, synthesized in the authors laboratory, were characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity and ion-exchange capacity. The set of tests commonly used for evaluation of commercially available stationary phases was applied to assess fundamental chromatographic properties...
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Computer-aided reconstruction of the railway track axis geometrical shape
PublikacjaIn the paper a method of the railway track axis geometrical shape identification in a horizontal plane, directly from the continuous satellite measurements, is presented. In this method, an algorithm for the design of railway track sections located in the horizontal arc is used. The algorithm uses an analytical description of the layout by means of suitable mathematical formulas. The design procedure has a universal character and...
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Phoenixin-14 effect on viability and THBS2 and CDH1 expression in 12Z endometriosis cell line
Dane BadawczePhoenixin-14 is a neuropeptide produced by the paraventricular nuclei of the anterior hypothalamus that regulates reproductive system functions. Its level in patients with endometriosis is reduced and may be the cause of dysregulated HPG-axis. Our study tested endometriosis-specific concentrations of PNX-14 on endometrial epithelial cell line 12Z in...
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Lower rim substituted p-tert-butylcalix[4]arene; Part 14. Synthesis, structures and binding studies of calix[4]arene thioamides
PublikacjaA number of p-tert-butylcalix[4]arene thioamides were synthesized and characterized by 1H-NMR and elemental analysis. Compounds 1-5 are O-substituted derivatives with -CH2-C(=S)-N-X groups, where NX = morpholidyl, NEt2, NHC2H4Ph, NHCH2Ph and NHEt,respectively. The X-ray structures of the ligands 1, 3, 5 and of the complex 3Pb(ClO4)2, (compound 6), are presented and their slightly distorted cone conformation is established. The...
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DSC and TG results for strontium ferrite molybdate: pristine La, or Nb-doped
Dane BadawczeThis dataset consists of DSC and TG data collected for SFM, LSFM (La-doped) and SFMNb (Nb-doped) compounds, which were undertaken to analyze the reoxidation process of reduced compounds and its transition to double-perovskite structure .The appropriate amount of the powder (~10 mg with 10% tolerance factor) were placed into the alumina crucible and...
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublikacjaCathepsin C is a cysteine protease required for activation of various pro-inflammatory serine proteases and, essentially, is of interest as a therapeutic target. Cathepsin C coordinate system was employed as a model to study the interaction of some already available inhibitors of Cathepsin C. Compounds containing Gly-Phe fragment with functional groups at its ends were designed by knowledge based approach. Using AutoDock and...
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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...
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Computer-Aided Design of Railroad Horizontal Arc Areas in Adapting to Satellite Measurements
PublikacjaThis paper presents a method of designing railway sections located in horizontal arcs. The adopted procedure is universal, i.e., it creates the possibility of varying both the type and the length of the assumed transition curves. This means that the applied analytical formulas apply to the boundary conditions of the transition curves and all of the simplifications widely existing in common algorithms have been eliminated. The presented...
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Study of the effect of thermally reduced graphene oxide on the physical and mechanical properties of flexible polyurethane foams
PublikacjaFlexible polyurethane foams were obtained from a two-component system via the one-step method. The foams were modified with thermally reduced graphene oxide added in the amount equal to 0.25, 0.5 and 0.75 wt%. The morphology, static and dynamic properties, and thermal stability of modified foams were determined. The application of carbon filler resulted in the visible increase in the cell size, apparent density and rigidity of...
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Structure and hyperfine interactions in Bi1−xNdxFeO3 solid solutions prepared by solid-state sintering
PublikacjaThe series of polycrystalline ceramic powders, Bi1xNdxFeO3 (x = 0.11) was successfully synthesized by mixed oxide method followed by pressureless sintering. X-ray diffraction and Mössbauer spectroscopy were used as complementary methods to study structure and hyperfine interactions of the samples. It was found that with an increase of Nd content, within the range of x = 0.20.3 a structural phase transition from rhombohedral to...
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Ontology as a Tool for the IT Management Standards Support
PublikacjaIn this paper the authors discuss the initial idea of using ontologies to model requirements of the standards that support IT management processes. The Open Group Architecture Framework (TOGAF) is set as an example. A need for transition from the generic model do the organization-specific one is indicated. The described example serves as a ground for considering the usefulness of such modeling approach in the wider spectrum of...
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Effect of starch fillers on the dynamic mechanical properties of rubber biocomposite materials
PublikacjaIn the paper the results of dynamic mechanical study of the biocomposites containing one of two types of (potato or corn) strach used as fillers in different amount were discussed. The composites were obtained from rubbery mixture containing natural rubber (NR) as a main component. Thermomechanical analyses (by DMA) showed that the used quantity of strach fillers only slightly influence on the glass transition temperature of vulcanizates.
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Seaweed as a resource for Anaerobic Digestion
PublikacjaExtensive growth of algae contributes to disruptive changes to the water ecosystems. This is mainly caused by redundant nutrients that are washed off the land and end up in waters. Tackling eutrophication by recovery of nutrients can be a solution to the problem. Cast marine biomass can be a resource for renewable energy technologies like anaerobic digestion. Such approach can contribute to the transition to a circular bio-economy and...
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Krzysztof Olszewski dr
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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...
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Towards sugar-derived polyamides as environmentally friendly materials
PublikacjaAs part of our ongoing study investigating isohexide-based polyamides, we have synthesized isosorbide(bis(propan-1-amine)) (DAPIS) and studied its reactivity in the polymerization towards fully biobased polyamides. Polycondensation of nylon salts with various contributions of DAPIS afforded a family of homo- and copolyamides, which were characterized using complementary spectroscopic techniques. The chemical structure of the materials...
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Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond
PublikacjaWe use quantum mechanics (QM) to determine the states formed by B dopants in diamond. We find that isolated B sites prefer to form BB dimers and that the dimers pair up to form tetramers (BBCBB) that prefer to aggregate parallel to the (111) surface in the <110> direction, one double layer below the H-terminated surface double layer. These tetramers lead to metallic character (Mott metal Insulator Transition) with holes in the...
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The luminescence study of Bi-doped Cs2AgInCl6 double perovskite.
Dane BadawczeHere, we report a halide precursor acid precipitation method to synthesize Cs2AgIn1−xBixCl6 (x = 0, 0.02, 0.04, 0.08, 0.16, 0.32, 0.64, and 1) microcrystals. Cs2AgInCl6 and Bi derivative double perovskites show broadband white light emission via self-trapped excitons (STEs) and have achieved the highest internal quantum efficiency of up to 52.4% at...
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Security of export transactions in the offer of leading banks on the Polish market
PublikacjaThe following article presents the so-called conditioned payment methods, i.e. instruments for securing export transactions, such as letter of credit, documentary collection, bank guarantees, factoring and forfaiting. The characteristics of each particular method are presented as well as the transactions using them are described. In the following paper, the author included also the leading Polish banks, which offer the above- mentioned...
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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...
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublikacjaSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
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Unassisted formation of hemiaminal ether from 4-aminopyridine and o-vanillin - experimental and theoretical study
PublikacjaThe reactions between o-vanillin and three isomeric aminopyridines lead to imines of diverse spatial conformation and reactivity. The direct products of these simple reactions carried out in methanol are either imine compounds formed in the reactions of 2- amino- and 3-aminopyridine with o-vanillin or the α-aminoether formed in the reaction of o-vanillin with 4-aminopyridine. The Schiff-type derivative of 4-aminopyridine and o-vanillin,...
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AMCA to TAMRA long range resonance energy transfer on a flexible peptide
PublikacjaFörster resonance energy transfer between 7-amino-4-methyl-3-coumarinylacetic acid, (AMCA, donor) and 5- carboxytetramethylrhodamine, (TAMRA, acceptor) bound to Lys(AMCA)-Gly-Pro-Arg-Ser-Leu-Ser-Gly-Lys (TAMRA)-NH2 peptide is demonstrated by various spectroscopic techniques in glycerol at room temperature. In particular, nonexponential character of fluorescence intensity decay evidences the distance distribution between the donor...
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New lanthanide–CB[6] coordination compounds: relationships between the crystal structure and luminescent properties
PublikacjaThe reaction between cucurbit[6]uril (CB[6]) and lanthanide chlorides (Eu, Sm, Tb and Tm) in acidic aqueous media led to four new structures. The compounds obtained are isostructural with general formula [Ln2(H2O)12(H2O@CB[6])]Cl6(H2O)4 (Ln = Eu3+ (1), Sm3+ (2), Tb3+ (3) and Tm3+ (4)) and crystallize in the P21/c space group. For the complexes with Eu3+, Sm3+ and Tb3+, the luminescent properties in the solid state and aqueous media...
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Możliwość oszacowania niezawodności silników o zapłonie samoczynnym z zastosowaniem teorii procesów semi-Markowa oraz podejmowania decyzji eksploatacyjnych z uwzględnieniem wiarygodności diagnozy o stanie technicznym tego rodzaju silników spalinowych = Possibility of estimating the reliability of diesel engines by applying the theory of semi-Markov processes and making operational decisions by considering reliability of diagnosis on technical state of this sort of combustion engines/
PublikacjaThe paper presents semi-Markov models of technical state transitions for diesel engines, useful for determining reliability of the engines. A possibility of application of a three-state model with a simplified matrix function, or even a two-state model, to determine reliability of the engines, has been described herein on examples of known from literature semi-Markov models, for the case when appropriate diagnosing systems (SDG)...
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Study of ultraviolet-visible fluorescence emission following resonant Auger decay of the 2p-1nl core-excited states of argon atoms
PublikacjaWe have studied the excitation and relaxation of Ar+ ions populated in resonant Auger decay from the Ar 2p−1nl core-excited states by using ultraviolet-visible fluorescence spectroscopy and photon-photon delayed coincidence technique. Fluorescence emission yields were measured in the photon energy range of 240-–255 eV for the 3s23p4(1D)5s(2D) → 3s23p4(1D)4p(2F) (393 nm) and 3s23p4(1D)4d(2F) → 3s23p4(1D)4p(2F) (335 nm) transitions...
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Proceeds from value added tax to the state budget as a percentage of the revenues (2010-2014)
Dane BadawczeFrom 1 January 2011, there was a general increase in the rates of tax on goods and services. According to the assumptions, it was temporary, and the amended regulations were to apply until the end of 2013. However, due to government policy, the rate hike was maintained. The changes introduced in 2010 concerned the basic and reduced rates - they were...
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Epitaph of Bartholomew Wagner in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to Bartholomew Wagner, city physician from 1562, who came to Gdańsk from Konigsberg. Data set contains one general photo of the epitaph, transcription of its text in Latin, its translation in Polish, and the biography of the deceased, also...