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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe 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
PublicationIn 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
PublicationAcrylic 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
PublicationThe 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
PublicationThe 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
PublicationAlthough 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
PublicationWe 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
PublicationThe 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
PublicationBorate 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
PublicationSeries 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
PublicationW 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.
PublicationPochodne 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
PublicationCalix[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...
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Pressure-induced phase transition in LiLuF4:Pr3+investigated by an optical technique
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Optical processes in YVO4:Eu3+across zircon-to-scheelite phase transition
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Order-Disorder Transition in 2D Conserved Spin System with Cooperative Dynamics
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Studies on the separation of some transition metals using trialkylimidazole as selective extractant
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S-Shaped Suppression of the Superconducting Transition Temperature in Cu-Intercalated NbSe2
Publication2H-NbSe2 is the prototype and most frequently studied of the well-known transition metal dichalcogenide (TMDC) superconductors. As 2H-NbSe2 is widely acknowledged as a conventional superconductor, its transition temperature to the superconducting state (Tc) is 7.3 K, a Tc that is substantially higher than those seen for the majority of TMDCs, where Tc values between 2 and 4 K are the norm. Here we report the intercalation of Cu...
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Global energy transition: From the main determinants to economic challenges regions
PublicationDynamic global energy transition has been accelerating for the last decade. Interestingly, the energy transition is multidimensional and concerns both the dimensions of technique/ technology and the economic, social, institu-tional, and legal spheres (Shuguang et al., 2022; Tzeremes et al., 2022; Ram-zan et al., 2022; Tzeremes et al., 2022). The literature also points to the signif-icant impact of the digitization of the global...
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Do Judges’ Delegations Affect Judicial Performance? A Transition Economy Evidence
PublicationThe aim of this study is to discern whether, by delegating judges from the court to the Ministry of Justice, the Minister of Justice influences the results of courts in terms of adjudication. The study used a unique set of data for the Polish judicial system over a period of five years. The research results indicate that there are three reasons for delegating judges. Firstly, the delegation system serves to fill staff shortages...
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A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
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Introduction to smart solutions for wastewater: Road-mapping the transition to circular economy
PublicationToday there is an urgent need to move from a linear to a circular economy approach with special focus to water and environment. Despite the paramount importance, this transition is hampered by barriers which concern not only technological but embrace also organizational, regulatory, social, and economic aspects. In order to overcome such barriers, innovative water-smart solutions are needed and a robust roadmap for the transition...
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Structural properties of hydration shell around various conformations of simple polypeptides
PublicationIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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Inferring perfect phylogenies with restrictions on character state transitions
PublicationZnana z klasycznej literatury metoda rekonstrukcji drzewa filogenetycznego zbioru gatunków na podstawie ich cech analizowanych w modelu doskonałej filogenezy często okazuje się niewystarczająca ze względu na założenia tego modelu, zmuszające do pominięcia znanych biologom informacji. W pracy definiujemy rozszerzenie umożliwiając wprowadzenie dla każdej cechy grafu skierowanego dopuszczalnych przejść ewolucyjnych pomiędzy jej stanami....
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Accelerating the transition to clean and healthy Baltic Sea
EventsWebinarium poświęcone działaniom na rzecz czystego i zdrowego Morza Bałtyckiego, gdzie zostaną pokazane projekty realizowane przez naukowców z PG w ramach centrum EkoTech.
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublicationAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
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English Literature in Transition, 1880-1920
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Career Development and Transition for Exceptional Individuals
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International Journal of Emerging and Transition Economies
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Environmental Innovation and Societal Transitions
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Transitions: Journal of Transient Migration
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Journal of Orthopaedic Translation
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Translation and Interpreting Studies
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Translation, Cognition and Behavior
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Compilation and Translation Review
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublicationMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Study of the Experimental and Simulated Vibrational Spectra Together with Conformational Analysis of Thioether Cyanobiphenyl-Based Liquid Crystal Dimers
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