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Wyniki wyszukiwania dla: CONFORMATIONAL TRANSITION
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Conformational latitude – activity relationship of KPPR tetrapeptide analogues toward their ability to inhibit binding of vascular endothelial growth factor 165 to neuropilin‐1
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Electronic states of tetrahydrofuran molecules studied by electron collisions
PublikacjaElectronic states of tetrahydrofuran molecules were studied in the excitation energy range 5.5-10 eV using the technique of electron energy loss spectroscopy in the gas phase. Excitation from the two conformations, C2 and Cs, of the ground state of the molecule are observed in the measured energy loss spectra. The vertical excitation energies of the 3(no3s) triplet state from the C2 and Cs conformations of the ground state of the...
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Propulsion system with a hydraulic transmision for a low draught inland vessel
PublikacjaW artykule przedstawiono założenia i uwarunkowania techniczne oraz projekt koncepcyjny dwóch wariantów układu napędowego statku śródlądowego o małym zanurzeniu. Oba warianty dotyczą systemu Diesel-hydraulicznego, przy czym pierwszy - z tradycyjną, poziomą linią wałów i śrubami stałymi w wychylnych dyszach Korta, a drugi - z pędnikami azymutalnymi. Projekt zawiera schemat systemu napędowego oraz wizualizację rozmieszczenia podstawowych...
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An analysis of the current situation for Polish ferry operators in a transitional environment
PublikacjaArtykuł rozpoczyna analiza sytuacji polskiej żeglugi promowej na tle procesów zachadzących w otoczeniu. W dalszej części została przedstawiona analiza SWOT, która wskazała główne problemy, którym muszą stawić czoła polscy armatorzy promowi. W pracy zaproponowano strategie marketingowe i dokano oceny ich roli w dalszym rozwoju badanych przedsiębiorstw promowych.
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Dynamics of Systems with a Discontinuous Hysteresis Operator and Interval Translation Maps
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DEM ANALYSIS OF EFFECT OF INTERFACIAL TRANSITIONAL ZONES ON FRACTURE IN CONCRETE.
PublikacjaArtykuł omawia wyniki numeryczne dotyczące pękania betonu uzyskane stosując metodę elementów dyskretnych. Trójwymiarowe obliczenia wykonano dla próbek betonowych podczas zginania. Beton został opisany jako model 4-fazowy. Mikrostrukturę betonu przyjęto na podstawie 3D zdjęć mikro-tomograficznych. Zbadano wpływ stref przejściowych na wytrzymałość i proces pękania. Wyniki numeryczne zostały porównane z wynikami doświadczalnymi. Uzyskano...
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublikacjaWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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Land cover transitions and changing climate conditions in the Polish Carpathians: Assessment and management implications
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New Technology or Adaptation at the Frontier? Butchery as a Signifier of Cultural Transitions in the Medieval Eastern Baltic
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Structural phase transitions and photoluminescence properties of oxonitridosilicate phosphors under high hydrostatic pressure
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Pressure-induced phase transitions in LnTe (Ln=La, Gd, Ho, Yb) and AmTe
PublikacjaThe structural behaviour under compression of different lanthanide (La, Gd, Ho, Yb) and actinide (Am) monochalcogenides is studied by means of in situ high-pressure x-ray diffraction. All the investigated compounds crystallize at ambient conditions within a cubic (B1) NaCl-type structure but show different behaviours at high pressures. LaTe and AmTe undergo B1 to B2 (CsCl-type structure) phase transitions, starting at 9 GPa and...
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The carbohydrate glycosylphosphatidylinositol anchor chain under mechanical stress
PublikacjaCarbohydrates have quite complicated micro heterogenic structure which may undergo different structural transitions. Due to their extreme flexibility it is very difficult to investigate such structural changes experimentally. In these studies we want to predict what structural and conformational changes are possible in the carbohydrate
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The influence of transition metals (Fe, Co) on the structural, magnetic and optical properties of TiO2 nanoparticles synthesized by the hydrothermal method
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Discrimination of Selected Cold-Pressed and Refined Oils by Untargeted Profiling of Phase Transition Curves of Differential Scanning Calorimetry
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Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublikacjaThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
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O-substituted tetrahydroxamate derivatives of p-tert-butylcalix[4]arene as receptors for transition and heavy metal cations
PublikacjaTetrasubstituted O-hydroxamate derivatives of p-tert-butylcalix[4]arene were applied as active materials in ion-selective membrane electrodes and were tested towards Pb-selectivity. The electrodes gave near-Nernstian characteristics for Pb2+ cations. The selectivity coefficients were determined. The influence of plasticizer on the electrode behaviour was studied. The dependence of the chemical structure on selectivity coefficients...
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Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters
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Critical behaviour of the smectic A*–C* phase transition and electroclinic effect of ferroelectric liquid crystals with terphenyl rigid core
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Application of Open-Hardware-Based Solutions for Rapid Transition From Stationary to the Remote Teaching Model During Pandemic
PublikacjaWhile research indicates usefulness of remote laboratories in teaching of digital hardware systems, their main application is to complement stationary classes. This work presents a low-cost, scalable architecture that supports rapid transformation of teaching to a model based solely on remote access mechanisms. Background: Adaptation of online laboratory solutions from the literature to en-masse teaching of digital circuits is...
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Organic pollutants photodegradation increment with use of TiO2 nanotubes decorated with transition metals after pulsed laser treatment
PublikacjaAmong various titanium(IV) oxide (TiO2, titania) structures, 1D nanotubes (TiO2 NTs) produced during the two-electrode anodization process, are extensively utilized in sensors or supercapacitors as well as in photo(electro)catalytic water splitting. However, due to wide bandgap and fast electron-hole recombination additional modifications, mostly concerned on materials surface, are required. According to the recent research, TiO2...
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Architects and urban planners in the face of energy transition - smart cities energy aspects in shaping building structures and cities
PublikacjaContemporary architects and urban planners are facing steadily increasing challenges. The growing problems around environmental issues, shrinking natural resources and climate action are just some of them. Currently, planning should also include balancing with all the aspects of sustainable development such as not only the environmental issues, but also social and economic ones. How to meet them in the era of energy transition...
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Can Grand Design Doctrines Go Well with Locally Reinvented Urbanisms? Notes from Polish Cities in Transition
PublikacjaThe text explores how New Urbanism ideas, a comprehensive global design doctrine, transgress into the context of Polish planning practice. New Urbanism is considered through the perspective of the decentralization of a discussion on a planning policy and a modernization of a State, resulting form its post-Socialist urban change. In the text, New Urbanism is understood as a neotraditionalist movement i.e. drawing from the pre-modernist...
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Poverty and social exclusion in the transition Baltic States during the implementation of the European Union Lisbon Strategy - comparative analysis
PublikacjaThe problem of poverty and social exclusion in the Baltic States generates serious social, economic and political consequences. The scope of the analysis includes primarily the scale and structure of poverty and social exclusion in the Baltic Region in the years 2004-2010 in the context of the Lisbon Strategy of the European Union. The results show that during the transition and implementation of the Lisbon Strategy, the problem...
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublikacjaWe studied the electronic and magnetic properties of wurtzite GaN (w-GaN) doped with different concentrations of the 4d transition metal ions Nb, Mo, and Ru. We incorporated spin-polarized plane-wave density functional theory within an ultrasoft pseudopotential formalism. The 4d transition metals were doped at different geometrical sites to determine the geometry with the lowest total energy and the one that induced the largest...
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Molecular modelling of transition state analogue inhibitors of glucosamine-6-P synthase and glucose-6-P isomerase.
PublikacjaStruktura kompleksu 2-amino-2-deoksy-D-glucitolo-6-P (ADGP) z centrum aktywnym syntazy GlcN-6-P z E. coli została wykorzystAna jako punkt wyjścia do modelowania molekularnego analogów ADGP. Używając programu GROMOS96 wygenerowano konformacje analogów o najniższych energiach wewnętrznych, które następnie ''dokowano'' w centrum aktywnym enzymu. Dokonano syntezy wybranych związków i określono parametry kinetyczne i termodynamiczne...
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Micelle-bound conformations of neurohypophyseal hormone analogues modified with a Cα-disubstituted residue: NMR and molecular modelling studies
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An Influence of the Aromatic Side Chains Conformations in Positions 2 and 3 of Vasopressin Analogs on Interactions with Vasopressin and Oxytocin Receptors
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Influence of the local building tradition on Renaissance architecture in Royal Prussia
PublikacjaContrary to the southern Europe the first signs of Renaissance in northern parts of the Holy Roman Empire as well as in Poland and Lithuania might be observed only at the beginning of the 16th century. Initially, they were created by Italian teams which came from Florence, Rome and the region of Como. One of the most recognizable marks of that process was the transfer of the Italian craftsmen and architectural solutions, e.g....
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Building culture written into the landscape – how to read spatial tradition
PublikacjaThe article presents a discussion on the experimenting with material leading to practical so-lutions in building structure in the context of the tradition of the place. It sketches out the practical aspects of creation of space while working with different local materials during the intensive workshops within the Structures in Building Culture IP programme. This kind of unique possibility to practice raw materials gives also the...
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The Handling of Business Lawsuits by Common Courts in Poland: Identification of Transaction Costs
PublikacjaCelem artykułu jest identyfikacja czynników mających wpływ na koszty transakcyjne dochodzenia praw z umów pomiędzy przedsiębiorcami w sprawach gospodarczych. Na potrzeby artykułu przeprowadzono pilotażowe badanie 210 spraw sądowych zawisłych przed Sądem Okręgowym w Gdańsku w pierwszej instancji po 2009 r., w których wyrok wydano w 2012 r. (ostatnie 210 spraw) a od wyroku wniesiono apelację do Sądu Apelacyjnego w Gdańsku i zakończono...
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Phase Transitions and Structural Changes in DPPC Liposomes Induced by a 1-Carba-Alpha-Tocopherol Analogue
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Structural phase transitions in multicomponent La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) oxides
PublikacjaIn this work, the influence of compositional complexity on the structural and thermal properties of multicomponent rare-earth ortho-niobates from the La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) series have been investigated. Based on X-ray powder diffraction studies using synchrotron radiation, it was found that all tested materials were pure single-phase compositions and showed stability in the monoclinic I2/c crystal...
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Glass transition temperatures of polyurethane-urea elastomers based on N, N′-ethylenethiourea and N, N′-ethyleneurea as chain extenders
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The Jurassic–Cretaceous transition in the High-Tatric succession (Giewont Unit, Western Tatra Mts, Poland): integrated stratigraphy and microfacies
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DSC Phase Transition Profiles Analyzed by Control Charts to Determine Markers for the Authenticity and Deterioration of Flaxseed Oil during Storage
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Expression of selected epithelial–mesenchymal transition transcription factors in serous borderline ovarian tumors and type I ovarian cancers
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ICT for Global Competitiveness and Economic Growth in Emerging Economies: Economic, Cultural, and Social Innovations for Human Capital in Transition Economies
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Tideless estuaries in brackish seas as possible freshwater‐marine transition zones for bacteria: the case study of the Vistula river estuary
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Preparation of methanation catalysts for high temperature SOEC by β-cyclodextrin-assisted impregnation of nano-CeO2 with transition metal oxides
PublikacjaThe aim of this work was to prepare and examine the catalytic activity of nanometric CeO2 decorated with transition metal oxides – Ni, Co, Cu, Fe and Mn – towards a high-temperature methanation process under SOEC CO2/H2O simulated co-electrolysis conditions. Samples were prepared using the wet impregnation method via the conventional process and with the addition of native cyclodextrin. The influence of β-cyclodextrin (βCD) onto...
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Modelling Long‐Term Transition from Coal‐Reliant to Low‐Emission Power Grid and District Heating Systems in Poland
PublikacjaEnergy systems require technological changes towards climate neutrality. In Poland, where the power system is dominated by outdated coal-fired power plants, efforts to minimize the environmental impact are associated with high costs. Therefore, optimal paths for the development of the energy sector should be sought in order to achieve ambitious long-term strategic goals, while minimizing the negative impact on the consumers’ home...
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Effect of isovalent substitution on microstructure and phase transition of LaNb1−xMxO4 (M=Sb, V or Ta; x=0.05–0.3)
PublikacjaLaNb1−xMxO4 oxides with pentavalent elements of different ionic sizes (M=Sb, Ta and V, x=0.05–0.3) were synthesized by the solid state reaction method. Special interest was devoted to the antimony substituted lanthanum niobate which is a new material in this group. Rietveld analysis of the X-ray diffraction patterns was used to determine the influence of the material composition on unit cell parameters. On the basis of dilatometric...
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Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies
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Local Conformation and Cocrystallization Phenomena in Renewable Diaminoisoidide-Based Polyamides Studied by FT-IR, Solid State NMR, and WAXD
PublikacjaBiobased polyamides synthesized from diaminoisoidide (DAII), 1,4-diaminobutane, and sebacic acid are investigated by FT-IR, 13C{1H} magic-angle spinning/cross-polarization (CP/MAS) NMR spectroscopy, and WAXD. Their molecular conformation and mobility undergo distinct changes as a function of temperature and diaminoisoidide content in the compositions. The presence of randomly distributed diaminoisoidide (DAII) in the polyamides...
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Typology and comparative analysis of black tents built in tradition of iranian tribes
PublikacjaThis study focused on the habits and way of life of nomads in the Iranian Highlands, but their homes, called Black Tents, were of the main interest. The research explored the construction of the Black Tents and the way of shaping the space in which family life takes place. It concerned the architectural forms of tents, structures and materials from which they are erected, as well as interior furnishings and objects that determine...
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Conformational solution studies of the SDS micelle-bound 11-28 fragment of two Alzheimer's β-amyloid variants (E22K and A21G) using CD, NMR, and MD techniques
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublikacjaThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Expression of epithelial to mesenchymal transition-related markers in lymph node metastases as a surrogate for primary tumor metastatic potential in breast cancer
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Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines
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