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Search results for: anion binding
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Pharmacological characterization and binding modes of novel racemic and optically active phenylalanine-based antagonists of AMPA receptors
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Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites
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Novel single-stranded DNA-binding proteins from extreme psychrophilic bacterium Psychromonas ingrahamii 37
PublicationWe report the identification and characterization of the single-stranded DNA binding protein (SSB) from extreme psychrophilic bacterium Psychromonas ingrahamii 37 (PinSSB) that grows expotentially at -12°C and may well grow at even lower temperatures. PinSSB is one of the largest known bacterial SSB protein consisting 222 amino acid residues with a calculated molecular mass of 25.1 kDa. The analysis by gel filtration chromatography...
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Characterization of exceptionally thermostable single-stranded DNA-binding proteins from Thermotoga maritima and Thermotoga neapolitana
PublicationBACKGROUND: In recent years, there has been an increasing interest in SSBs because they find numerous applications in diverse molecular biology and analytical methods.RESULTS: We report the characterization of single-stranded DNA binding proteins (SSBs) from the thermophilic bacteria Thermotoga maritima (TmaSSB) and Thermotoga neapolitana (TneSSB). They are the smallest known bacterial SSB proteins, consisting of 141 and 142 amino...
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Structure-activity relationship study of tetrapeptide inhibitors of the Vascular Endothelial Growth Factor A binding to Neuropilin-1
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Membrane Sterols Modulate the Binding Mode of Amphotericin B without Affecting Its Affinity for a Lipid Bilayer
PublicationMembrane-active antibiotics are known to selectively target certain pathogens based on cell membrane properties, such as fluidity, lipid ordering, and phase behavior. These are in turn modulated by the composition of a lipid bilayer and in particular by the presence and type of membrane sterols. Amphotericin B (AmB), the golden standard of antifungal treatment, exhibits higher activity toward ergosterol-rich fungal membranes, which...
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Identification and characterization of single-stranded DNA-binding protein from the facultative psychrophilic bacteria Pseudoalteromonas haloplanktis
PublicationSingle-stranded DNA-binding protein (SSB) plays an important role in DNA metabolism such as DNAreplication, repair, and recombination, and is essential for cell survival. This study reports on the ssb-likegene cloning, gene expression and characterization of a single-stranded DNA-binding protein of Pseudoal-teromonas haloplanktis (PhaSSB) and is the first report of such a protein from psychrophilic microorganism.PhaSSB possesses...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublicationAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublicationGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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Chemical Reduction of 2,4,6-Tricyano-1,3,5-triazine and 1,3,5-Tricyanobenzene. Formation of Novel 4,4‘,6,6‘-Tetracyano-2,2‘-bitriazine and Its Radical Anion
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Anion–π recognition between [M(CN)6]3− complexes and HAT(CN)6: structural matching and electronic charge density modification
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublicationSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Onychophagia (Nail Biting): an overview
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DATA MINING IN CONSTRUCTION RESEARCH
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Schema mining in XML documents.
PublicationW artykule przedstawiono algorytm COBWEB S+T służący do wywodzenia schematów z kolekcji dokumentów XML. Algorytm wykorzystuje model danych semistrukturalnych oraz alorytm COBWEB służący do grupowania koncepcyjnego. W artykule zaprezentowano również wyniki testów działania algorytmu.
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Marta Kuc-Czarnecka dr
PeopleMarta Kuc-Czarnecka is the deputy head of the Department of Statistics and Economics at the Faculty of Management and Economics of the Gdańsk University of Technology. She also serves as the Dean's proxy for AMBA accreditation. She is a co-founder of Rethinking Economics Gdańsk and a member of the Foundation Edward Lipiński for the promotion of pluralism in economic sciences. In 2018-2022, she was Eurofound’s quality of life and...
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Influence of the Hofmeister anions on self-organization of 1-decyl-3-methylimidazolium chloride in aqueous solutions
PublicationW pracy określono wpływ anionów z szeregu Hofmeistera na agregację micelarną wodnych roztworów chlorku 1-decylo-3-metyloimidazoliowego. Pod uwagę wzięto dwa czynniki - rodzaj anionu oraz siłę jonową. Wykazano, że dodatek zastosowanych soli skutkuje obniżaniem krytycznego stężenia micelizacji związku z siłą zgodną z trendem opisanym szeregiem Hofmeistera. Dodatek elektrolitu powoduje obniżenie wartości entalpii micelizacji i przejście...
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Comparison of the main bioactive compounds and antioxidants in garlic and white and red onion after treatment protocols
PublicationPolski czosnek, biała i czerwona cebula była blanszowana, gotowana, smażona i poddawana działaniom promieniowania mikrofalowego. Następnie były w nich oznaczane m.in. takie związki jak polifenole, flawonoidy, kwas ascorbinowy i aktywne antyoksydanty. Udowodniono, że blanszowanie, smażenie i poddawanie działaniu promieniowania mikrofalowego nie wpływa znacząco na zmiejszenie zawartości badanych związków w czosnku i cebuli. Wyznaczono...
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The Role of Trade in Intra-Industry Productivity Growth-the Case of Old and New European Union Countries
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Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions
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Photocatalytic Activity of TiO2 Modified with Hexafluorometallates—Fine Tuning of Redox Properties by Redox-Innocent Anions
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Use of mycorrhizal fungi and phosphorus fertilization to improve the yield of onion (Allium cepa L.) plant
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Innovativeness and Competitiveness of the New European Union States in Variable Economic Situation between 2006 and 2013
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Physicochemical and Biological Properties of Oxovanadium(IV), Cobalt(II) and Nickel(II) Complexes with Oxydiacetate Anions
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The Impact of Trade Integration with the European Union on Productivity in a Posttransition Economy: The Case of Polish Manufacturing Sectors
PublicationThis paper addresses the relationship between productivity growth in Polish manufacturing sectors and forces stemming from trade integration with the European Union. Empirical analysis (1995-2006) is based on sector-level bilateral data concerning both domestic (Polish) and foreign (partner countries from the enlarged European Union) markets' characteristics and their degree of openness. The main results indicate that, both in...
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The role of trade in intra industry productivity growth - the case of old and new European Union countries.
PublicationThe purpose of this paper is to evaluate the role of trade in productivity growth in a sample of 30 sectors in 25 EU countries in the period of rapid East–West integration (1995–2007). Shift-share analysis is used to show that changes in value added per hour worked in these countries appear to be mainly due to positive developments (rising productivity) within single industries and only to a lower extent result from a shift towards...
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Trade of the European Union with the Post-Soviet Republics of Central Asia in the Second Decade of the 21st Century
Publication.The article presents the European Union's trade with five Central Asian countries: Kazakhstan, Turkmenistan, Tajikistan, Kigistan and Uzbekistan in the two decades of the 21st century.
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The TEMPUS PROGRAM - Computational Geometry for Ships i.e. our first step towards the European Union.
PublicationPraca prezentuje genezę, zakres merytoryczny i realizację europejskiego programu TEMPUS pt. "Geometria Komputerowa dla Statków" zorganizowanego i przeprowadzonego na Wydz. OiO PG w latach 1993-95. Projekt miał charakter dydaktyczny i oferował zaawansowany kurs nowoczesnej metodologii modelowania geometrycznego i analizy hydrodynamicznej kształtu kadłuba okrętu dla studentów wydziału i młodych inżynierów polskiego przemysłu okrętowego....
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Novel DNA-binding protein from Nanoarchaeum equitans Kin4-M binds all kinds of nucleic acids
PublicationNanoarchaeum equitans is the only known representative of Archaea phylum Nanoarchaeota and stands out as one of the tiniest known living organism. What is more it has smallest genome, which is only 490.885 base pairs long. It is also one of the most compact genomes. According to predictions about 95% of the DNA encodes proteins or stable RNA. Nanoarchaeum equitans lacks genes for most vital metabolic pathways including lipid, cofactor,...
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublicationThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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Application of reversed-phase thin layer chromatography and QSRR modelling for prediction of protein binding of selected β-blockers
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Fusion of Taq DNA polymerase with single-stranded DNA binding-like protein of Nanoarchaeum equitans—Expression and characterization
PublicationDNA polymerases are present in all organisms and are important enzymes that synthesise DNA molecules. They are used in various fields of science, predominantly as essential components for in vitro DNA syntheses, known as PCR. Modern diagnostics, molecular biology and genetic engineering need DNA polymerases which demonstrate improved performance. This study was aimed at obtaining a new NeqSSB-TaqS fusion DNA polymerase from the...
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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.
PublicationSeveral 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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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Structure, physicochemical and biological properties of new complex salt of aqua-(nitrilotriacetato-N,O,O′,O″)-oxidovanadium(IV) anion with 1,10-phenanthrolinium cation
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An influence of the ship's block coefficient implementation on the evaluation of it's hull girder bending
PublicationAn influence of the three different ways of implementation ship's block coefficient δ (three geometrical models) on the stresses due to wave bending moment have been investigated. Two models have been applied and compared: beam one (description of the shape usingparameters) and FEM shell model (direct representation of the shape). The outcomes have been compared to Polish Register of Shipping (PRS) rules. The results show that...
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A new prototype of piezoelectric bending resonant transducer for analysis of soft tissues properties
PublicationThis paper is devoted to a new piezoelectric bending resonant transducer prototype dedicated to the characterization of the mechanical properties of soft tissue. A general description of the actuator’s structure is presented including the basic principles of the measurement. The chosen geometry of the prototype is discussed and compared with the existing version. Constitutive equations are presented for the active and passive layer...
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Increasing Electric Vehicles Reliability by Non-Invasive Diagnosis of Motor Winding Faults
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A new deterministic method of finding safe ship trajectory for any convex domain
PublicationW artykule wprowadzono nową deterministyczną metodę wyznaczania bezpiecznej trajektorii statku dla sytuacji spotkania z wieloma obiektami obcymi i dla dowolnej zadanej domeny. Jej prostota i fakt, że minimalizuje ona liczbę manewrów czynią ją dobrą alternatywą dla obecnie stosowanych metod. Metoda jest przedstawiona tak, aby mogła być bezpośrednio zastosowana w pokładowych systemach antykolizyjnych lub w systemach VTS.
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The crack surface morphology investigation of S355J2 steel after bending-torsion fatigue
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Finding safe and efficient shipping routes in ice-covered waters: A framework and a model
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Evaluation of Asphalt Mixture Low-Temperature Performance in Bending Beam Creep Test
PublicationLow-temperature cracking is one of the most common road pavement distress types in Poland. While bitumen performance can be evaluated in detail using bending beam rheometer (BBR) or dynamic shear rheometer (DSR) tests, none of the normalized test methods gives a comprehensive representation of low-temperature performance of the asphalt mixtures. This article presents the Bending Beam Creep test performed at temperatures from −20...
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Detection of inter-turn faults in transformer winding using the capacitor discharge method
PublicationThe paper presents results of an analysis of inter-turn fault effects on the voltage and current waveforms of a capacitor discharge through transformer windings. The research was conducted in the frame of the Facility of Antiproton and Ion Research project which goal is to build a new international accelerator facility that utilizes superconducting magnets. For the sake of electrical quality assurance of the superconducting magnet...
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Experimental investigations of interturn faults in transformer winding using frequency response analysis
PublicationW referacie przedstawiono wyniki badań eksperymentalnych specjalnego Transformatora Trakcyjnego o Zredukowanej Skali (TTZS) z wykorzystaniem metody analizy odpowiedzi w dziedzinie częstotliwości. Pokazano wybrane wyniki analiza FRA nieuszkodzonych symetrycznych uzwojeń strony wtórnej. Zmierzono widmo amplitudowe w przypadku zwarć zwojowych pojedynczych zwojów niektórych cewek. Wykazano, że miejsce wystąpienia zwarcia zwojowego...
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On Nonlinear Bending Study of a Piezo-Flexomagnetic Nanobeam Based on an Analytical-Numerical Solution
PublicationAmong various magneto-elastic phenomena, flexomagnetic (FM) coupling can be defined as a dependence between strain gradient and magnetic polarization and, contrariwise, elastic strain and magnetic field gradient. This feature is a higher-order one than piezomagnetic, which is the magnetic response to strain. At the nanoscale, where large strain gradients are expected, the FM effect is significant and could be even dominant. In...
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublicationThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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A general theory for anisotropic Kirchhoff–Love shells with in-plane bending of embedded fibers
PublicationThis work presents a generalized Kirchhoff–Love shell theory that can explicitly capture fiber-induced anisotropy not only in stretching and out-of-plane bending, but also in in-plane bending. This setup is particularly suitable for heterogeneous and fibrous materials such as textiles, biomaterials, composites and pantographic structures. The presented theory is a direct extension of classical Kirchhoff–Love shell theory to incorporate...
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On Effective Bending Stiffness of a Laminate Nanoplate Considering Steigmann–Ogden Surface Elasticity
PublicationAs at the nanoscale the surface-to-volume ratio may be comparable with any characteristic length, while the material properties may essentially depend on surface/interface energy properties. In order to get effective material properties at the nanoscale, one can use various generalized models of continuum. In particular, within the framework of continuum mechanics, the surface elasticity is applied to the modelling of surface-related...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...