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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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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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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublicationTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
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3D Sound Intensity Measurement Around Organ Pipes Using Acoustic Vector Sensors
PublicationThe aim of the presented paper was to obtain and visualize sound intensity distribution of radiated acoustic energy around the organ pipes. The experimental setup consisted of the multichannel acoustic vector sensor and the specialized Cartesian robot. Measurements were performed in free field with spatial resolution of 0.1 [m]. Two organ pipes, i.e. wooden and metal were measured during the ex-periment. The organ pipes were activated...
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Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublicationThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
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Decrease in Photovoltaic Module Efficiency Due to Deposition of Pollutants
PublicationThe deposition of pollutants on the surface of photovoltaic (PV) modules reduce the efficiency that can be achieved in given climatic conditions. This results in the loss of energy yield obtained from the solar installation. A number of factors determine the scale of this problem. The first of these is the amount of impurities deposited, the associated amount of precipitation, and the speed and direction of the wind. A second aspect...
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THE APPLICATION OF THE MECHANOCHEMICAL SYNTHESIS FOR THE PREPARATION OF ADVANCED CERAMICS BASED ON BARIUM TITANATE
PublicationIn the present study, the lead-free BaTi1-xZrxO3 (for x = 0, 0.05 and 0.15) ceramics were prepared by High-Energy Ball Milling and heat treatments. The performed X-ray, SEM and EDS measurements confirmed high purity, good quality and the expected quantitative composition of the obtained samples. The study of dielectric properties was performed by means of broadband dielectric spectroscopy at the frequency ranging from 0.1 Hz to...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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The luminescence study of Bi-doped Cs2AgInCl6 double perovskite.
Open Research DataHere, we report a halide precursor acid precipitation method to synthesize Cs2AgIn1−xBixCl6 (x = 0, 0.02, 0.04, 0.08, 0.16, 0.32, 0.64, and 1) microcrystals. Cs2AgInCl6 and Bi derivative double perovskites show broadband white light emission via self-trapped excitons (STEs) and have achieved the highest internal quantum efficiency of up to 52.4% at...
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<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part I: algorithms and SIMCON system</title>
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Selective Photocatalytic Oxidation of 4-Methoxybenzyl Alcohol to p-Anisaldehyde in Organic-Free Water in a Continuous Annular Fixed Bed Reactor
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Changes in oxidative stress in the rat brain during post-cardiac arrest reperfusion, and the effect of treatment with the free radical scavenger idebenone
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Correction to: Plasma free amino acid profiling as metabolomic diagnostic and prognostic biomarker in paediatric cancer patients: a follow-up study
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Ultrasound assisted rapid synthesis of mefenamic acid based indole derivatives under ligand free Cu-catalysis: Their pharmacological evaluation
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Decreased integrity of exercise-induced plasma cell free nuclear DNA – negative association with the increased oxidants production by circulating phagocytes
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Decreased integrity of exercise-induced plasma cell free nuclear DNA – negative association with the increased oxidants production by circulating phagocytes
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Repeated bouts of exhaustive exercise increase circulating cell free nuclear and mitochondrial DNA without development of tolerance in healthy men
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A Novel Biological Role for Peptidyl-Arginine Deiminases: Citrullination of Cathelicidin LL-37 Controls the Immunostimulatory Potential of Cell-Free DNA
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SU‐FF‐T‐209: New Polymer Gel Dosimeter with High Refractive Index for Artifact‐Free Optical CT Scanning
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Gluten-free bread enriched with whole-grain red sorghum flour gains favourable technological and functional properties and consumers acceptance
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Lead-stress induced changes in the content of free, thylakoid- and chromatin-bound polyamines, photosynthetic parameters and ultrastructure in greening barley leaves
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The extended version of restriction analysis approach for the examination of the ability of low-molecular-weight compounds to modify DNA in a cell-free system
PublicationOne of the primary requirements in toxicology is the assessment of ability of chemicals to induce DNA covalent modification. There are several well-established methods used for this purpose such as 32P-Postlabeling or HPLC-MS. However, all of these approaches have difficult to overcome limitations, which prevents their use in genotoxin screening. Here, we describe the simple protocol exploiting specificity of restriction enzymes...
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A Wideband Rotary-Joint-Free H-Plane Horn Antenna With 360° Steerable Radiation Pattern Using Gap Waveguide Technology
PublicationConsidering the limitations of electronically steerable antennas such as limited steering span, gain degradation for large steering angles, complexity, and cost, this article is focused on the design of a simple mechanically steerable H-plane horn antenna. It is shown that since there is no need for an electrical connection between the top and bottom sections of a gap waveguide (GWG), if a sectoral horn is properly designed and realized...
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The use of LiFePO4 technology in autonomous PV systems
PublicationBattery manufacturing based on the flow of lithium ions is currently the fastest growing and the most promising technology. It is used in many applications - from the smallest electronic devices to the large-scale energy trays. However, in the PV systems lead-acid batteries are still the most commonly used. As they are much cheaper they also come with a number of significant disadvantages. It is anticipated that they will be replaced...
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Graphitic carbon nitride/bismuth-based Z-scheme heterojunctions for the photocatalytic removal of pharmaceuticals and personal care products — a review
PublicationZ-scheme heterojunction in recent years is one of the most promising approaches in photocatalytic materials in solar light region for various environmental applications, including the removal of pharmaceuticals and personal care products (PPCPs). Integrating g-C3N4 and Bi-based semiconductors via Z-scheme is highly effective in providing efficient flow of charge carriers along with suitable redox sites. The g-C3N4/Bi-based photocatalysts...
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An overview of the strategies for the deammonification process start-up and recovery after accidental operational failures
PublicationThe deammonification process has been universally acknowledged as an energy-efficient technology for sewage disposal. In contrast with traditional biological nitrogen removal technology, the deammonification process is able to remove ammonia from wastewater with the simplest nitrogen removal process because of its advantages of lower operating expenses, no organic carbon consumption, lower biomass production, lower carbon dioxide...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Experimental study and numerical simulation on porosity dependent direct reducibility of high-grade iron oxide pellets in hydrogen
PublicationThe transition to more environmentally friendly steel production methods has intensified research into hydrogen-based direct reduction (HyDR) of iron oxide pellets. The aim of this study is to systematically investigate the kinetics of the reduction process, the evolution of porosity and the resulting microstructural changes on the reduction behavior of high-quality pellets during HyDR of iron ore at different temperatures. A modified...
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Comparative study of a combined heat and power plant retrofitted by CO2 capture during the combustion of syngas from sewage sludge gasification versus zero-emission combustion of hydrogen produced using renewables
PublicationWith ecological requirements aimed at limiting the production of CO2, it is necessary to produce all, or most of the energy from RES. During the transformation process, ecological and highly efficient combustion power plants will be needed. The classic cycle of combined heat and power (CCGT) with green improvements will continue to be one of the most suitable technologies for this task. This article presents the modernization of...
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The mechanical properties and bactericidal degradation effectiveness of tannic acid-based thin films for wound care
PublicationThe surface area is the most important aspect when considering the interactions between a material and the surrounding environment. Chitosan (CTS) and tannic acid (TA) were previously successfully tested by us to obtain thin films to serve as wound dressings or food packaging materials. However, surface properties as well as the antimicrobial activity of the material were not considered. They are important if the material is likely...
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Dynamics of Chains as a Tool to Study Thermomechanical Properties of Proteins.
PublicationPolymer dynamics can be formulated on different levels of detail. One approach eliminates microscopic degrees of freedom and a polymer molecule is represented by a simplified structure—a chain. In the simplest case monomers of ideal chain have fixed length, and their orientation is independent of the orientations and positions of neighbouring monomers. This is reason that two monomers can co-exist at the same place. Ideal chain...
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Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublicationThree aromatic heptaene macrolide antifungal antibiotics, Candicidin D, Partricin A (Gedamycin) and Partricin B (Vacidin) were subjected to controlled cis-trans to all trans photochemical isomerization. The obtained all-trans isomers demonstrated substantially improved in vitro selective toxicity in the Candida albicans cells: human erythrocytes model. This effect was mainly due to the diminished hemotoxicity. The molecular modeling...
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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<title>Cavity digital control testing system by Simulink step operation method for TESLA linear accelerator and free electron laser</title>
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Defining Whole Grain Sorghum Flour and Water Levels to Improve Sensory and Nutritional Quality of Gluten-Free Bread—A Factorial Design Approach
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Fixed final time and free final state optimal control problem for fractional dynamic systems – linear quadratic discrete-time case
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Blood free Radicals Concentration Determined by Electron Paramagnetic Resonance Spectroscopy and Delayed Cerebral Ischemia Occurrence in Patients with Aneurysmal Subarachnoid Hemorrhage
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Diiodo-BODIPY Sensitizing of the [Mo3S13]2– Cluster for Noble-Metal-Free Visible-Light-Driven Hydrogen Evolution within a Polyampholytic Matrix
PublicationWe report on a photocatalytic setup that utilizes the organic photosensitizer (PS) diiodo-BODIPY and the non-precious-metal-based hydrogen evolution reaction (HER) catalyst (NH4)2[Mo3S13] together with a polyampholytic unimolecular matrix poly(dehydroalanine)-graft-poly(ethyleneglycol) (PDha-g-PEG) in aqueous media. The system shows exceptionally high performance with turnover numbers (TON > 7300) and turnover frequencies (TOF...
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Towards sustainable catalyst-free biomass-based polyurethane-wood composites (PU-WC): From valorization and liquefaction to future generation of biocomposites
PublicationA substantial aspect of materials engineering lies in the responsible process of designing polymer-based materials. Due to environmental pollution, excessive consumption of natural resources, and increasing environmental awareness of society, there is a massive need for polyurethane (PU) materials with reduced environmental impact. To date, research on catalyst-free polyurethane-wood composites (PU-WC) has demonstrated a huge potential...
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Boron-doped carbon nanowalls for fast and direct detection of cytochrome C and ricin by matrix-free laser desorption/ionization mass spectrometry
PublicationDetecting proteins via surface assisted laser desorption/ionization mass spectrometry (SALDI-MS) method is still highly challenging, and only few examples of nanomaterials have been demonstrated to perform such detection so far. In this study, carbon nanowalls (CNWs), vertically aligned graphene sheet-based materials, presenting specific morphology, dimensions, and boron doping levels have shown improved performances for both qualitative...
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Should we seek further improvement of fluid film bearings - what for and how?
PublicationFluid film bearings have been extensively used in the industry because of their unbeatable durability and extremely low friction coefficient. Large bearings supporting shafts of huge and important rotating machines constitute a special group of fluid film bearings since the reliability of crucial systems, like for example electro-energetic system, rely on their trouble-free operation. Large thrust bearings, apart from enormous...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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The voltage on bus bars of the main switchboard of the ferry electrical power system during a sea voyage
Open Research DataThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard the ferry during a sea voyage.
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Effect of adhesive compliance in the assessment of soft adhesives with the wedge test
PublicationWedge tests are usually analysed assuming that the free, unbonded members may be treated as encastré cantilever beams. However, if the adhesive layer is sufficiently flexible (e.g., due to low elastic modulus), then significant strain in the bonded region may occur and lead to modification of the behaviour outside this region. Using in conjunction a sensitive strain gauge method on asymmetric wedge tests and a mathematical analysis...
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Cure kinetics of epoxy/MWCNTs nanocomposites: Isothermal calorimetric and rheological analyses
PublicationA combinatorial route has been applied in cure kinetics study of epoxy nanocomposites containing multi-walled carbon nanotubes (MWCNTs) based on differential scanning calorimetry and rheokinetic analyses under isothermal conditions. Pristine and amine-modified MWCNTs bearing primary and secondary amines were used at very low concentrations (0.1 and 0.3 wt.% based on epoxy weight). Model-free and model-fitting methods were applied...
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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Surface Plasmon-Coupled Emission of Rhodamine 110 Aggregates in a Silica Nanolayer
PublicationFirst analysis of strong directional surface plasmon-coupled emission(SPCE) of ground-state formed intermolecular aggregates of Rhodamine 110 (R110) insilica nanofilms deposited on silver nanolayers is reported. Until now, the processes ofenergy transport and its trapping due to aggregate formation have not been studied in the presence of SPCE. A new approach to multicomponent systems with weakly and strongly fluorescent centers...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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CONTROL OF THE WAVES IN A TOWING TANK WITH THE USE OF A BLACK-BOX MODEL
PublicationThe paper describes an adaptive control system of the waves, implemented in the Ship Design and Research Centre, CTO S.A. The purpose of generating the waves in the towing tank is the modelling of the environmental conditions during hydrodynamic model tests. The tests are performed on scale models of towed or free running ships, anchored structures like oil rigs or bottommounted structures, e.g. wind turbines. In the towing tank...
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The interaction between cuticle free fatty acids (FFAs) of the cockroaches Blattella germanica and Blatta orientalis and hydrolases produced by the entomopathogenic fungus Conidiobolus coronatus
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