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Wyniki wyszukiwania dla: CONFORMATIONAL TRANSITION
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The transition of HIV within and between affected populations in Poland
PublikacjaThe aim of the paper is the estimation of probabilities that describe the transition of HIV within and between the following three populations: homosexual and bisexual men, injecting drug users and heterosexual persons in Poland in the years 1995-2006
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High pressure effect on charge transfer transition in Y2O2S:Eu3+
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Energy Transition in Poland—Assessment of the Renewable Energy Sector
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Possible singlet-to-triplet pairing transition in Na_xCoO_2 * yH_2O
PublikacjaW pracy przedstawiono dokładne pomiary górnego pola krytycznego (H_c2) w niedawno odkrytym nadprzewodniku Na_xCoO_2 * yH_2O. Zauważono niezwykłe zachowanie pola krytycznego w funkcji temperatury. W celu wyjaśnienie zjawiska rozwiązano równania Gorkova dla sieci trójkątnej. Eksperymentalny wynik może być interpretowany jako przejście singlet - tryplet wywołane polem magnetycznym.
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GROWTH AND STRUCTURAL CHANGES IN TRANSITION COUNTRIES: THE CHICKEN OR THE EGG?
PublikacjaThe objective of this study is to test empirically the relationship between structural changes (changes in gross value added and employment) and economic growth. We used a panel Granger-causality analysis based on annual data for eight transition countries, covering the period 1995–2011. The main finding is that the causality relations analysed are heterogeneous processes and are identified more often...
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CIVILIZING THE PUBLIC PARTICIPATION PRACTICE IN POST-TRANSITION COUNTRIES
PublikacjaThe phenomenon of public participation is not so new to both planning theory and practice. In fact, involving local community in the decision-making process regarding local urban development directions is widely discussed and a number of various forms of these are being introduced. This paper deals with a number of
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New transition curve adapted to railway operational requirements
PublikacjaThe paper points to the limited possibilities of improving the existing situation in the area of transition curves used in geometrical layouts of the railway track. Difficulties in the practical implementation and maintenance of very small horizontal ordinates of the transition curve and the ordinates of the gradient due to cant in the initial section, appearing on smooth transition curves, were indicated. The main reason for this...
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A dynamical model for plasma confinement transitions
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Successive orbital ordering transitions in NaVO2
PublikacjaPomiary właściwości fizycznych NaVO2, który charakteryzuje się trójkątną siecią krystalograficzną, pokazują dwa przejścia typu orbitalnego. W temperaturze 98 K w systemie wystepuje przejście drugiego rodzaju. Natomiast poniżej 93 K obserwowane jest przejście pierwszego rodzaju.
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Successive Orbital Ordering Transitions inNaVO2
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Informational entropy in simulation of one-dimensional random fields
PublikacjaEntropia ciągłego rozkładu prawdopodobieństwa jest zdefiniowana jako funkcja liczby węzłów skalarnego pola losowego. W przykładzie numerycznym przedstawiono propagacje entropii w zagadnieniu reakcji sprężystego wspornika przy losowym obciążeniu.
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublikacjaAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Enforced conformational changes in the structural units of glycosaminoglycan (non-sulfated heparin-based oligosaccharides)
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublikacjaEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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Theoretical conformational analysis of six arginine vasopressin analogs with the l -naphthylalanine in position 3
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Martini 3 Model of Cellulose Microfibrils: On the Route to Capture Large Conformational Changes of Polysaccharides
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Conformational studies of vasopressin analogues modified with N-methylphenylalanine enantiomers in dimethyl sulfoxide solution
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Conformational Preferences of Proline Derivatives Incorporated into Vasopressin Analogues: NMR and Molecular Modelling Studies
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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Effect of head-to-tail cyclization on conformation of histatin-5
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Changes of Conformation in Albumin with Temperature by Molecular Dynamics Simulations
PublikacjaThis work presents the analysis of the conformation of albumin in the temperature range of 300K – 312K, i.e., in the physiological range. Using molecular dynamics simulations, we calculate values of the backbone and dihedral angles for this molecule. We analyze the global dynamic properties of albumin treated as a chain. In this range of temperature, we study parameters of the molecule and the conformational entropy derived from...
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The Study of Geometry of the Selected Transition Curves in the Design of Circular Roads
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The first order phase transition and superconductivity in BaNi2As2 single crystals
PublikacjaDyskutowane są synteza i właściwości fizyczne monokryształów BaNi2As2. BaNi2As2 krystalizuje w strukturze ThCr2Si2, a stałe sieciowe wynoszą odpowiednio: a = 4.112(4) A i c = 11.54(2) A. Pomiar oporu elektrycznego, zmiennopolowej podatności magnetycznej, ciepła właściwego, pokazują objętościowy efekt nadprzewodzący z Tc = 0.7 K.
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Innovation Capability Development in Regional Entrepreneurship: The Case of Economies in Transition
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Performance evaluation of IEEE 802.11 fast BSS transition algorithms
PublikacjaSimultation experiments are conducted to answer the questions if multimedia services can be properly supported in IEEE 802.11r networks. The authors prove that handover delay can be reduced to 22 ms in the average case.
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublikacjaWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Transition curve with smoothed curvature at its ends for railway roads
PublikacjaIn the paper, in view of a railway ballasted track, a new concept of transition curve of linear form of curvature along its length and smoothed extreme regions is presented. For this purpose use has been made of an original, universal method for identifying transition curves by means of differential equations. Some general curvature equations for three regions investigated have been determined to be followed by appropriate parametric...
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Local properties of organic coatings close to glass transition temperature
PublikacjaAcrylic coating applied on copper substrate has been investigated at different temperatures starting from the ambient one up to the level above the glass transition temperature. Its local topographic and electric properties have been examined with the atomic force microscopy (AFM) based approach including dc current mapping and local impedance spectroscopy. The local findings have been compared with the information from global...
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Ionic thermoelectric effect in Cu2-δSe during phase transition
PublikacjaThe ionic Seebeck coefficient was studied in copper selenide with Cu1.99Se, Cu1.95Se and Cu1.8Se stoichiometry which was synthesized with a melt crystallization method. To measure the ionic Seebeck coefficient of copper ions, 0.15C6H12N4CH3I + 0.85CuI solid-state electrolyte was prepared. Electrolyte layers were pressed with copper selenide powder into a sandwich-like structure. At the temperature of 410 K, the materials have ionic...
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The Reactivity of Phosphanylphosphinidene Complexes of Transition Metals Toward Terminal Dihaloalkanes
PublikacjaThe reactivities of phosphanylphosphinidene complexes [(DippN)2W(Cl)(η2-P−PtBu2)]− (1), [(pTol3P)2Pt(η2- P=PtBu2)] (2), and [(dppe)Pt(η2-P=PtBu2)] (3) toward dihaloalkanes and methyl iodide were investigated. The reactions of the anionic tungsten complex (1) with stochiometric Br(CH2)nBr (n = 3, 4, 6) led to the formation of neutral complexes with a tBu2PP(CH2)3Br ligand or neutral dinuclear complexes with unusual tetradentate...
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Nanostructure of the laser-modified transition metal nanocomposites for water splitting
PublikacjaAlthough hydrogen is considered by many to be the green fuel of the future, nowadays it is primarily produced through steam reforming, which is a process far from ecological. Therefore, emphasis is being put on the development of electrodes capable of the efficient production of hydrogen and oxygen from water. To make the green alternative possible, the solution should be cost-efficient and well processable, generating less waste...
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Potential energy curves, transition and permanent dipole moments of KRb
PublikacjaWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Syntheses and Structures of Transition Metal Complexes with Phosphanylphosphinidene Chalcogenide Ligands
PublikacjaThe reactivity of the phosphanylphosphinidene complex [(DippN)2W(Cl)(η2-P-PtBu2)]− (1) toward chalcogens (Ch = Se, S) was studied. Reactions of stoichiometric amounts of 1 with chalcogens in DME yielded monomeric tungsten complexes with phosphanylphosphinidene chalcogenide ligands of the formula tBu2P−P−Ch (Ch = Se (in 2) and S (in 5)), which can be regarded as products of the addition of a chalcogen atom to a P=W bond in starting...
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Transition Metal Oxides influence on phosphate and borate glasses structure
PublikacjaBorate and phosphate glasses possess many potential luminescence and optical applications. With their low melting point, they are one of the most often studied amorphous materials. In recent years these glasses, doped with transition metal oxides (TMO), gained much attention due to their tunable structural and thermal properties. Review of systems containing TMOs was presented. Additionally synthesis of binary MnO-P2O5 and MnO-B2O3...
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A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity
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Synthesis, biological activity and conformational analysis of head-to-tail cyclic analogues of LL37 and histatin 5
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Elucidation of the effect of some cholinium amino acid ionic liquids on the thermal and the conformational stability of insulin
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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...
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Lattice Dynamics and Structural Phase Transitions in Eu2O3
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Early vascular ageing in translation
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Novel analogues of bradykinin conformationally restricted in the C-terminal part of the molecule
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Conformational Studies of Two Bradykinin Antagonists by Using Two-dimensional NMR Techniques and Molecular Dynamics Simulations
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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Conformational studies of highly potent 1-aminocyclohexane-1-carboxylic acid substituted V2 vasopressin agonists
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Application of Coordination Compounds with Transition Metal Ions in the Chemical Industry—A Review
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Expression of Selected Epithelial-Mesenchymal Transition Transcription Factors in Endometrial Cancer
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First-order magnetic transition in single-crystallineCaFe2As2detected byA75snuclear magnetic resonance
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Superconducting transition in granular Bi-Sr-Ca-Cu-O superconductors
PublikacjaW układzie(Bi,Pb)-Sr-Ca-Cu-O poprzez krystalizację w fazie stałej można wytworzyć materiały o bardzo różnych właściwościach elektrycznych i nadprzewodzących. W zależności od warunków krystalizacji, można wytworzyć nadprzewodnik o temperaturze krytycznej między 8 a 105 st. K lub materiał nie przechodzący do stanu nadprzewodzącego. Przejście do stanu nadprzewodzacego w materiałach granulastych ma charakter dwustopniowy. Zbadano wpływ...
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Calix[4]arene-Thioamides as Ionophores for Transition and Heavy Metal Cations.
PublikacjaPochodne kaliks[4]arenów odgrywają ważną rolę jako materiał aktywny w membranowych elektrodach jonoselektywnych. Obecnie duży nacisk kładzie się na kontrolę stężeń kationów metali ciężkich, takich jak Pb, Cd, Hg, Cu w wodach naturalnych. Naszym zadaniem było zaprojektować i zsyntezować ligandy, które wykazują zdolność do wiązania kationów metali ciężkich i przejściowych. Synteza, struktury krystaliczne, ekstrakcja i właściwości...
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Calix[4]arene-Thioamides as Ionophores for Transition and Heavy Metal cations
PublikacjaCalix[4]arene derivatives play an important role as sensing materials in Ion Selective Electrodes(ISEs). Nowadays a high impact is put to control in natural waters the level of toxic heavy metals, like Pb ,Cd, Hg or Cu which may cause the great risk to human health. Our goal was to design and to synthesize ligands possessing ability to bind transition and heavy metal cations. The synthesis, crystal structures,extractive and ionophoric...