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Yade-open DEM: an open-source software using a discrete element methodto simulate granular material
PublikacjaPurpose - YADE-OPEN DEM is an open source software based on the Discrete Element Method which uses object oriented programming techniques. The paper describes the softwarearchitecture.Design/methodology/approach - The DEM chosen uses position, orientation, velocity and angular velocity as independent variables of simulated particles which are subject to explicit leapfrog time-integration scheme (Lagrangian method). The three-dimensional...
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From ashes to porous hierarchical nanocarbon electrode: Upcycling secondary waste materials through self-catalytic chemical vapour deposition
PublikacjaMetal and metal oxide particles are abundant in various ash-based wastes. Utilizing these as catalyst sources for the fabrication of carbon nanomaterials could present a valuable approach to reduce our reliance on non-renewable and costly catalyst sources, thereby facilitating large-scale nanomaterial production. In this context, secondary waste materials (SWMs) are by-products resulting from the (complete or partial) combustion...
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The impact of thermomechanical and chemical treatment of waste Brewers’ spent grain and soil biodegradation of sustainable Mater-Bi-Based biocomposites
PublikacjaDue to the massive plastic pollution, development of sustainable and biodegradable polymer materials is crucial to reduce environmental burdens and support climate neutrality. Application of lignocellulosic wastes as fillers for polymer composites was broadly reported, but analysis of biodegradation behavior of resulting biocomposites was rarely examined. Herein, sustainable Mater-Bi-based biocomposites filled with thermomechanically-...
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublikacjaHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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Investigation of interaction between xanthene dye rhodamine B and metagenomic-derivated methylthioadenosine phosphorylase RSFP
PublikacjaIn the previous study we found that the expression of the metagenomic - derived methylthioadenosine phosphorylase gene (rsfp) in E. coli cells and the presence of rhodamine B in the growth medium were crucial for the pink fluorescence of one E. coli colony from Antarctic soil metagenomic library (Cieśliński et al., 2009). In this study, rsfp gene expression was induced by an arabinose promoter in an LMG194 E. coli strain and the...
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Solvothermal growth of {0 0 1} exposed anatase nanosheets and their ability to mineralize organic pollutants. The effect of alcohol type and content on the nucleation and growth of TiO2 nanostructures
PublikacjaHerein, the series of {0 0 1} exposed anatase nanosheets from HF-assisted solvothermal growth synthesis were obtained. The two-dimensional TiO2 were characterized, including both bulk (XRD, DR-UV–Vis, Mott-Schottky) and surface characteristics (N2 sorption, XPS, SEM) with experimental results compiled with Density Functional Theory (DFT) calculations. The effect of alcohol amount and type was studied, demonstrating the crucial...
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Micro-cracking pattern recognition of hybrid CNTs/GNPs cement pastes under three-point bending loading using acoustic emission technique
PublikacjaThe generation of microcracks has an important influence on the behaviour of concrete structures. In this study, the acoustic emission (AE) technique was used to investigate the fracture phenomena and micro-cracking behavior of hybrid carbon nanotubes (CNTs, the 1-D allotrope of carbon atoms) and graphene nanoplatelets (GNPs, 2D monolayer of sp2-hybridized carbon atoms), cement composites under three-point bending loading. In...
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Chemical composition of water from roof in Gdańsk, Poland
PublikacjaThis study deals with the assessment of roof runoff waters from the region of Gdansk collected during the winter season (2007/2008). The chemical analysis includes 16 chemical variables: major ions, PAHs and PCBs measured at 3 sampling sites for 6-14 rain events. Although the data set is of limited volume the statistical data treatment using self-organizing maps (SOM) reveals the main factors controlling roof runoff water quality...
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Functional Bi2O3/Gd2O3 Silica-Coated Structures for Improvement of Early Age and Radiation Shielding Performance of Cement Pastes
PublikacjaThis study presents a new approach towards the production of sol-gel silica-coated Bi2O3/Gd2O3 cement additives towards the improvement of early mechanical performance and radiation attenuation. Two types of silica coatings, which varied in synthesis method and morphology, were used to coat Bi2O3/Gd2O3 structures and evaluated...
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Improved finite element method for flow, heat and solute transport of Prandtl liquid via heated plate
PublikacjaIn the current study, a vertical, 3D-heated plate is used to replicate the generation of heat energy and concentration into Prandtl liquid. We discuss how Dufour and Soret theories relate to the equations for concentration and energy. In order to see how efectively particles, interact with heat and a solvent, hybrid nanoparticles are used. It does away with the phenomena of viscous dissipation and changing magnetic felds. The motivation...
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Polypropylene structure alterations after 5 years of natural degradation in a waste landfill
PublikacjaUp to 25% of plastic waste in Europe is still disposed of in landfills, despite recycling efforts. The plastic waste in the landfill plot may be exposed both to abiotic and biotic degradation processes, although it is thought that most of the plastic materials tend to be resistant to biodegradation or biodeterioration even after a long time. To verify if polypropylene (PP) can undergo the process of short-term biodegradation and...
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Fluorine ions in photocatalysts’ synthesis: an obstacle or an ally? The investigation of photocatalysts in Ti-O-F system
PublikacjaTitanium(IV) oxide (TiO2) is one of the most promising photocatalysts, which is expected to be applied in the photocatalytic degradation of xenobiotics. For sustainable development and green chemistry approach recently, much effort has been paid to enhance TiO2 photocatalytic activity in UV-vis light by modifying its structure. The photocatalytic process’s complexity cannot be simply described as electron-hole pairs generations...
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Integrated Experimental and Theoretical Approach for Efficient Design and Synthesis of Gold-Based Double Halide Perovskites
PublikacjaApplied cutting-edge electronic structure and phonon simulations provide a reliable knowledge about the stability of perovskite structures and their electronic properties, which are crucial for design of effective nanomaterials. Gold is one of the exceptional elements, which can exist both as a monovalent and a trivalent ion in the B site of a double perovskite such as A2BI BIIIX6. However, until now, electronic properties of Cs2AuI AuIIIX6...
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Measurement report: Spatial variations in ionic chemistry and water-stable isotopes in the snowpack on glaciers across Svalbard during the 2015–2016 snow accumulation season
PublikacjaThe Svalbard archipelago, located at the Arctic sea-ice edge between 74 and 81∘ N, is ∼60 % covered by glaciers. The region experiences rapid variations in atmospheric flow during the snow season (from late September to May) and can be affected by air advected from both lower and higher latitudes, which likely impact the chemical composition of snowfall. While long-term changes in Svalbard snow chemistry have been documented in...
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Wastes from Agricultural Silage Film Recycling Line as a Potential Polymer Materials
PublikacjaThe recycling of plastics is currently one of the most significant industrial challenges. Due to the enormous amounts of plastic wastes generated by various industry branches, it is essential to look for potential methods for their utilization. In the presented work, we investigated the recycling potential of wastes originated from the agricultural films recycling line. Their structure and properties were analyzed, and they were...
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Investigation of RH effect on uncommon limonene ozonolysis products and SOA formation in indoor air with real time measurement techniques
PublikacjaScientific interest in SOA influence on indoor air quality increases since last 20 years. It is well known, that particles of nano-sized diameter pose a threat for human health causing, among others: eye, upper airway irritation, inflammatory response in cells, worsening asthma, hypertension, diabetes, and central nervous dysfunction. Terpenes are reactive VOCs, commonly emitted in indoor air and considered to be SOA precursors...
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Simulating coherent light propagation in a random scattering materials using the perturbation expansion
PublikacjaMultiple scattering of a coherent light plays important role in the optical metrology. Probably the most important phenomenon caused by multiple scattering are the speckle patterns present in every optical imaging method based on coherent or partially coherent light illumination. In many cases the speckle patterns are considered as an undesired noise. However, they were found useful in various subsurface imaging methods such as...
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Recycled rubber wastes-based polymer composites with flame retardancy and electrical conductivity: Rational design, modeling and optimization
PublikacjaPolymer recycling techniques experience a maturity period of design and application. Rubbers comprise a high proportion of polymer wastes, highly flammable and impossible to re-melt. Polymer composites based on ground tire rubber (GTR) and ethylene-vinyl acetate copolymer (EVA) containing carbon black (CB) (1–50 phr), with variable EVA/GTR weight composition (10/90, 25/75, 50/50, 75/25 and 90/10), and processing temperature (Low:...
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Bile salts in digestion and transport of lipids
PublikacjaBecause of their unusual chemical structure, bile salts (BS) play a fundamental role in intestinal lipid digestion and transport. BS have a planar arrangement of hydrophobic and hydrophilic moieties, which enables the BS molecules to form peculiar self-assembled structures in aqueous solutions. This molecular arrangement also has an influence on specific interactions of BS with lipid molecules and other compounds of ingested food...
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Golden artefacts, resin figurines, body adhesives and tomb sediments from the pre-Columbian burial site El Caño (Gran Coclé, Panamá): tracing organic contents using molecular archaeometry
PublikacjaThis research aimed to determine the origin of organic residues from funerary contexts in the El Ca~no settlement (Gran Cocl�e area, Panam�a, Central America) by means of multiple molecular probing techniques (GC-MS of organic solvent extracts and pyrolysis-GC-MS, THM-GC-MS and FTIR of solid samples). The samples include particles of precious resin figurines, fillings of golden objects, tomb sediments, plant exudates from extant...
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P92 steel and inconel 617 alloy welds joint produced using ERNiCr-3 filler with GTAW process: Solidification mechanism, microstructure, mechanical properties and residual stresses
PublikacjaThe objective of the current study was to analyse the microstructure, mechanical characteristics, and residual stresses of a dissimilar welded joint (DWJ) made of P92 steel and the Inconel alloy 617 (IN617) using the gas tungsten arc welding (GTAW) method. The ERNiCr-3 filler was selected to produce the conventional V groove (VG) and narrow V groove (NVG) butt joint. The filler deficient zones in the weldments, such as the filler...
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Poroelastic Road Surfaces - State of The Art
PublikacjaPoroelastic Road Surfaces (PERS) constitute a specific group of pavements containing a great amount of crumbled rubber. In most cases rubber aggregate constitutes about 20% of the mixture (by weight) and a polyurethane resin is used as a binder. As a result, PERS is characterized by a much higher elasticity than asphalt and a high porosity typical for drainage pavements. Due to this, tire/road noise is greatly reduced and on top...
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Development of biocompatible iron oxide-silicon oxide core-shell nanoparticles as subcellular delivery platform for glucosamine-6-phosphate synthase inhibitors
PublikacjaIn order to develop the preparation of iron oxide-silica coreshell nanoparticles (CSNPs), thesis deeply explores the cetyltrimethylammonium (CTA+) directed silica coating methods of the oleic-acid capped iron oxide nanoparticles (OA-IONPs) initialized under near-neutral pH conditions. It is demonstrated that the initial alkaline hydrolysis of ethyl acetate in the presence of CTA+ and OA-IONPs induces an unusual ligand exchange...
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Electrohydrodynamic Flow Patterns in a Narrow Electrostatic Precipitator with Longitudinal Wire Electrode for Various Electrode Geometries
PublikacjaRecently narrow electrostatic precipitators (ESPs) have become a subject of interest because of their possible application in diesel engines. In this paper results of 2-dimensional (2D) Particle Image Velocimetry (PIV) measurements of the flow patterns in a narrow ESP for a various electrode geometries are presented. The PIV measurements were carried out in the observation plane that is perpendicular to the ESP duct. The ESP was...
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Numerical simulation of cold flow and combustion in a swirl stabilized combustor
PublikacjaA numerical simulation model was developed to investigate the cold flow and combustion using Ansys FLUENT 2021R1. The governing equations were solved using the pressure-based method, and pressure–velocity coupling was performed using the SIMPLE method. To model the turbulent process, the RSM model was used. Non-premixed model is chosen to solve the chemical kinetics between fuel and oxigen. Radiation heat transfer was calculated...
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Development of Biocompatible Fe3O4@SiO2 Nanoparticles as Subcellular Delivery Platform for Glucosamine-6-phosphate Synthase Inhibitors
PublikacjaNumerous inhibitors of glucoseamine-6-phophate synthase (GlcN-6-P), the enzyme responsible from catalysis of the first step of metabolic pathway leading to metabolism 5’-diphospho-N-acetyl-D- glucosamine, were reported as effective agents for inhibiting the growth of various fungal pathogens. Among the reported inhibitors,...