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The molecular mechanism of genistein action in lysosomal storage diseases: A transcriptomic approach
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Acoustic lifecycle study of the double-layer porous asphalt on E4 in Huskvarna, Sweden
PublicationIn 2010 a double-layer porous asphalt concrete (DPAC) pavement was constructed on the E4 motorway through the Swedish city Huskvarna. Earlier experience in Sweden indicated that it was feasible to obtain a high initial noise reduction but due to the widespread use of studded tires in winter, clogging and ravelling created losses of around 2 dB per year, with an expected acoustical lifetime of only 3 years. However, the improved...
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Improving the Performance of a Graphite Foil/Polyaniline Electrode Material by a Thin PEDOT:PSS Layer for Application in Flexible, High Power Supercapacitors
PublicationIn this study, we present a novel strategy for enhancing polyaniline stability and thus obtaining an electrode material with practical application in supercapacitors. A promising (graphite foil/polyaniline/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) GF/PANI/PEDOT:PSS) electrode material was characterized and used in the construction of a symmetric supercapacitor that provides an outstanding high power density. For this...
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublicationShelterin is a six-protein complex (TRF1, TRF2, POT1, RAP1, TIN2, and TPP1) that also functions in smaller subsets in regulation and protection of human telomeres. Two closely related proteins, TRF1 and TRF2, make high-affinity contact directly with double-stranded telomeric DNA and serve as a molecular platform. Protein TIN2 binds to TRF1 and TRF2 dimer-forming domains, whereas Apollo makes interaction only with TRF2. To elucidate...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublicationAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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Thin layer chromatography in drug discovery process
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Random height of thin layer of rheological liquids
PublicationPraca prezentuje nowe modele funkcji gęstości w rozkładach Gaussa, opisujących losowo zmieniającą się wysokość szczeliny w stawie biodrowym człowieka przy uwzględnieniu właściwości reologicznych synowialnej cieczy smarującej.
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Detection of delamination in multi layer composite beams.
PublicationW pracy przedstawiono model belki kompozytowej z delaminacją. Omówiono czynniki propagacji fali sprężystej w belce i możliwości wykorzystania zmian w propagującej fali wywołanych delaminacją do jej detekcji.
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electrocatalytic sensor based on nasicon with auxiliary layer
PublicationW pracy przedstawiono wyniki badań czujników elektrokatalitycznych z dodatkową warstwą. Właściwości takiego czujnika porównano z czujnikiem o tradycyjnej budowie.
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Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublicationUnderstanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublicationThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Mono- and bimetallic (Pt/Cu) titanium(IV) oxide core–shell photocatalysts with UV/Vis light activity and magnetic separability
PublicationTitanium(IV) oxide is one of the most widely investigated photocatalysts. However, separation of nano-sized particulate titania might result in profitless technologies for commercial applications. Additionally, bare titania is almost inactive under the Vis range of solar spectrum due to its wide bandgap. Therefore, the present study aims to prepare novel coreinterlayer- shell TiO2 magnetic photocatalysts modified with metal nanoparticles...
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublicationExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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Study of the Layer-Type BST Thin Film with X-ray Diffraction and X-ray Photoelectron Spectroscopy
PublicationIn the present paper, results of X-ray photoelectron studies of electroceramic thin films of barium strontium titanate, Ba1xSrxTiO3 (BST), composition deposited on stainless-steel substrates are presented. The thin films were prepared by the sol-gel method. A spin-coating deposition of BST layers with different chemical compositions was utilized so the layer-type structure of (0-2) connectivity was formed. After the deposition,...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Microstructure and mechanical properties of a dissimilar metal welded joint of Inconel 617 and P92 steel with Inconel 82 buttering layer for AUSC boiler application
PublicationThe application of the novel dissimilar metal welded (DMW) joint, utilizing Inconel 617 and P92 steel, was showcased in the advanced ultra-supercritical (AUSC) boiler. The work has been performed to investigate the effect of Inconel 82 (ERNiCr-3) buttering layer on microstructure and mechanical properties (high-temperature tensile strength, impact strength and microhardness) of gas tungsten arc welded (GTAW) dissimilar joint between...
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Molecular Strategy for Survival at a Critical High Temperature in Eschierichia coli
PublicationThe molecular mechanism supporting survival at a critical high temperature (CHT) in Escherichia coli was investigated. Genome-wide screening with a single-gene knockout library provided a list of genes indispensable for growth at 47°C, called thermotolerant genes. Genes for which expression was affected by exposure to CHT were identified by DNA chip analysis. Unexpectedly, the former contents did not overlap with the latter except...
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Evaluation of Praseodymium and Gadolinium Doped Ceria as a Possible Barrier Layer Material for Solid Oxide Cells
PublicationIn this work, nanocrystalline layers based on the Pr, Gd co-doped CeO2 were investigated. For the preparation of thin layers, lowtemperature spray pyrolysis technique was used. Different stoichiometries of the layers were produced for comparison on polished sapphire substrates. The microstructure of the prepared thin layers was studied by scanning electron microscopy (SEM), energydispersive X-ray spectroscopy (EDS) and X-ray diffractometry (XRD)....
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Wojciech Litwin dr hab. inż.
People1992÷1996 - study on Mechanical Department at Gdansk University of Technology1996 – employed in the Faculty of Ocean Engineering and Ship Technology at the Gdansk University of Technology2004 – PhD2014 – habilitation2016 - vice dean for science at Faculty of Ocean Engineering2020 - dean of the Faculty of Ocean Engineering2021 - head of Institute of Naval Architecture He participated in a number of designing and research programs...
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublicationChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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An analytical four-layer horizontal electric current dipole model for analysing underwater electric potential in shallow seawater
PublicationThe paper presents a new analytical four‑layer (air–water–bottom–non‑conductive layer) horizontal electric dipole model which allows an accurate approximation of ship’s Underwater Electric Potential (UEP) from a sufficient depth in shallow coastal marine waters. The numerical methods, usually Finite Element Method (FEM) or Boundary Elements Method (BEM), are typically used to estimate the electric field and the distribution of...
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Titania Nanotubes/Hydroxyapatite Nanocomposites Produced with the Use of the Atomic Layer Deposition Technique: Estimation of Bioactivity and Nanomechanical Properties
PublicationTitanium dioxide nanotubes/hydroxyapatite nanocomposites were produced on a titanium alloy (Ti6Al4V/TNT/HA) and studied as a biocompatible coating for an implant surface modification. As a novel approach for this type of nanocomposite fabrication, the atomic layer deposition (ALD) method with an extremely low number of cycles was used to enrich titania nanotubes (TNT) with a very thin hydroxyapatite coating. X-ray diffraction (XRD)...
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Development of Safirinium dyes for new applications: fluorescent staining of bacteria, human kidney cells, and the horny layer of the epidermis
PublicationLow-molecular synthetic fluorophores are convenient tools in bioimaging applications. Several derivatives of Safirinium dyes as well as their reactive N-hydroxysuccinimide (NHS) esters bearing diverse substituents were synthesized and evaluated experimentally in terms of their lipophilicity by means of reverse-phase and immobilized artificial membrane high-performance liquid chromatography. Subsequently, the selected compounds...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-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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Spectroscopic, molecular docking and molecular dynamic simulation studies on the complexes of β-lactoglobulin, safranal and oleuropein
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Enhanced stability of electrochemical performance of few-layer black phosphorus electrodes by noncovalent adsorption of 1,4-diamine-9,10-anthraquinone
PublicationIn this paper, the novel noncovalent functionalisation strategy of few-layer black phosphorus by 1,4-diamine-9,10-anthraquinone electrode was proposed and studied. The degradation of few-layer black phosphorus under exposure to oxygen and water is a significant obstacle to its use as an electroanalytical electrode. The anthraquinone compound adsorbed at black phosphorus flakes results in improved prevention of the phosphorus surface...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublicationHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Molecular Metabolism
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Molecular Autism
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Molecular Cytogenetics
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Molecular Brain
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Molecular Astrophysics
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Molecular Syndromology
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MOLECULAR CARCINOGENESIS
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Molecular Pain
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MOLECULAR BIOLOGY
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MOLECULAR ENDOCRINOLOGY
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MOLECULAR PSYCHIATRY
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MOLECULAR INTERVENTIONS
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Molecular Imaging
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Molecular Neurodegeneration
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MOLECULAR BREEDING
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Molecular Biomedicine
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Molecular Plant
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MOLECULAR CELL
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MOLECULAR THERAPY
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MOLECULAR VISION
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Processing and Maturation of Cathepsin C Zymogen: A Biochemical and Molecular Modeling Analysis
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