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Numerical Study of the Impinging Jets Formed by an Injector with Different Nozzle Diameters
PublicationThe collision of two or more liquid jets may provide considerable atomisation and efficient mixing of injected substances at the same time. This phenomenon is used, among others, in rocket engines, where the fuel and oxidiser are introduced separately and almost immediately mixed through self-impingement. Depending on the injection and operating conditions, diverse configurations of impinging jets are used, such as doublets,...
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How Integration of a Brain-Machine Interface and Obstacle Detection System Can Improve Wheelchair Control via Movement Image
PublicationThis study presents a human-computer interaction combined with a brain-machine interface (BMI) and obstacle detection system for remote control of a wheeled robot through movement imagery, providing a potential solution for individuals facing challenges with conventional vehicle operation. The primary focus of this work is the classification of surface EEG signals related to mental activity when envisioning movement and deep relaxation...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublicationMy PhD dissertation focused on DNA-protein interactions and the recognition of specific DNA sequences and structures. I discovered that acidic amino acid residues (Asp/Glu) play a crucial role by exhibiting a preference for cytosine. Their contribution to binding affinity depends on nearby cytosines, balancing electrostatic repulsion with specific interactions. Acidic residues act as negative selectors, discouraging non-cytosine...
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Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublicationUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublicationWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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Impedimetric sensing of α-amino acids driven by micro-patterned 1,8-Diazafluoren-9-one into titania- boron- doped maze-like nanocarbons
PublicationThe development of impedimetric, non-faradaic label-free sensors for the detection of α-amino acids constitutes a trailblazing technology for the fast and inexpensive quantification of such biomarkers. Since α-amino acids, such as glycine and sarcosine, are basic constituents in biological processes, a variation in their concentration may be an indicator of cardiovascular diseases and metabolic disorders or neurological conditions....
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Green monoterpenes based deep eutectic solvents for effective BTEX absorption from biogas
PublicationThe combustion of biogas which contains significant amounts of monoaromatic hydrocarbons, i.e. benzene, ethylbenzene, toluene, and xylene (BTEX) can cause many technological, environmental, and health problems. Therefore, in these studies, a new physical absorption method based on deep eutectic solvents (DES) consisting of monoterpenes and carboxylic acids was developed for BTEX removal. A total of 39 DES were synthesized, of which...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublicationA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublicationReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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Toughness augmentation by fibrillation and yielding in nanostructured blends with recycled polyurethane as a modifier
PublicationIn the present paper, we have carefully investigated the morphology and fracture mechanism of the recycled polyurethane (RPU) /epoxy blend system. The second phase (RPU) added to the epoxy resin has a positive effect on the overall mechanical properties. Interestingly, the recycled polymer has a remarkable effect on the fracture toughness of epoxy resin. The mechanism behind the fracture toughness improvement up on the addition...
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SPECTRAL RESPONSE OF STATIONARY JACK-UP PLATFORMS LOADED BY SEA WAVES AND WIND USING PERTURBATION METHOD
PublicationThe paper addresses non-linear vibrations of offshore jack-up drilling platforms loaded by sea waves and wind in their stationary condition using the perturbation method. Non-linearity of dynamic equations of motion for fixed offshore platforms yields from two factors. The first is load excitation generating non-linear velocity coupling in a dynamic system. This coupling is inherent in the modified Morison equation, involving the...
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Interrelations between Travel Patterns and Urban Spatial Structure of the Largest Russian Cities
PublicationThe study presented within this dissertation involves the analysis of the relationship between urban spatial structure and travel patterns in the largest Russian cities. It is an empirical investigation of how the spatial structure, formed during the Soviet and post-Soviet periods, affects the travel patterns in the largest cities of contemporary Russia. It aims to determine what measures, both urban structure and transportation...
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublicationThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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Comparative analysis of the flow control over a circular cylinder with detached flexible and rigid splitter plates
PublicationA comparative study is performed on a circular cylinder with both flexible and rigid splitter plates (SPs). This study has the novelty of using single and dual detached SPs located downstream of the cylinder. The dimensionless gap distance between the first splitter plate and the cylinder as well as the distance between the SPs are varied. The strain of flexible SPs can be used for energy harvesting from the flow. Therefore, a...
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Influence of Surface-Modified Montmorillonite Clays on the Properties of Elastomeric Thin Layer Nanocomposites
PublicationIn recent years, polyurethane nanocomposites have attracted more attention due to the massive demand for materials with increasingly exceptional mechanical, optical, electrical, and thermal properties. As nanofillers have a high surface area, the interaction between the nanofiller and the polymer matrix is an essential issue for these materials. The main aim of this study is to validate the impact of the montmorillonite nanofiller...
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A Concept for Safe and Less Expensive Acceleration of a Marine Steam Turbine Start-up
PublicationThis paper analyses the issue of accelerated start-up of a marine steam turbine, which is an important problem because the start-up of a steam machine involves the combustion of fuel that is not transformed into useful energy. To find novel technologies that offer improvements in this aspect is essential due to restrictions on reducing ship emissions. Thus, the shorter the start-up time, the better for the environment and economy....
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Development of a simulation model of the activities of a transport and forwarding enterprise in the organization of international road cargo transportation
PublicationThe object of this study is the process of planning the work of a transport and forwarding company when serving different categories of customers who need organizational support for the delivery of goods by road transport in international traffic. The solved problem is due to the need to devise recommendations for organizing the work of forwarders when interacting with customers of transport and forwarding services that export...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublicationWe report the first series of homoleptic phosphido iron complexes synthesized by treating either the β-diketiminato complex [(Dippnacnac)FeCl2Li(dme)2] (Dippnacnac = HC[(CMe)N(C6H3-2,6-iPr2)]2) or [FeBr2(thf )2] with an excess of phosphides R2PLi (R = tBu, tBuPh, Cy, iPr). Reaction outcomes depend strongly on the bulkiness of the phosphido ligands. The use of tBu2PLi precursor led to an anionic diiron complex 1 encompassing a planar...
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Sugar matters: sugar moieties as reactivity-tuning factors in quercetin O-glycosides
PublicationQuercetin, one of the most abundant flavonoids in plant-based foods, commonly occurs in nature in various glycosylated forms. There is still a less explored aspect regarding the cause of its glycosides diversity, depending on the sugars moiety attached. This work focuses on four widespread quercetin glycosides—hyperoside, isoquercitrin, quercitrin and rutin—by testing property-tuning capacity of different sugar moieties and thus...
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One Year Evaluation of Material Properties Changes of Polylactide Parts in Various Hydrolytic Degradation Conditions
PublicationBiodegradable biocompatible materials are widely used in medical applications. Determining the possibility of using biodegradable materials depends on determining the changes in their parameters over time due to degradation. The current scientific research on biodegradable materials has presented results based on research methods characterized by the different geometry and cross-section size of the specimen, type of degradation...
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Ground tire rubber thermo-mechanically devulcanized in the presence of waste engine oil as asphalt modifier
PublicationCross-linked elastomers network is main limitation for industrial usage of ground tire rubber (GTR) as asphalts’ and road pavements modifier. GTR was thermo-mechanically devulcanized via extrusion in the presence of waste engine oil (WEO) at temperature ranges from 150 to 280 °C. Combined impact of WEO content and extruder barrel temperature on the change of cross-linked structure of degraded GTR (DTGR) was investigated through...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Fabrication methods of smart composite coatings - review
PublicationPostoperative bacterial infections are one of the main reasons for unsuccessful implantation of long-term implants. The development of bacterial infection requires antibiotic therapy, in extreme cases a reimplantation procedure is necessary. In order to provide materials for implants with antibacterial properties, they are subjected to modifications to create a coating that will release the drug substance, when the inflammation...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublicationThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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New Carvone-Based Deep Eutectic Solvents for Siloxanes Capture from Biogas
PublicationDuring biogas combustion, siloxanes form deposits of SiO2 on engine components, thus shortening the lifespan of the installation. Therefore, the development of new methods for the purification of biogas is receiving increasing attention. One of the most effective methods is physical absorption with the use of appropriate solvents. According to the principles of green engineering, solvents should be biodegradable, non-toxic, and...
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SILICA AEROGEL TOWARDS ANODES FOR LITHIUM-ION BATTERIES
PublicationAn increasing demand for electrochemical energy storage and conversion devices stimulates progress in research on electrode and electrolyte materials. In the field of electrodes materials, silicon is the one of the most promising anode materials for Li-ion batteries. However silicon has the drastic volume variation (around 3 times lower on extraction) during insertion and extraction of lithium ions. As an alternative, nanocomposites...
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The electrochemical impedance spectroscopy studies of the anode material based on polymer and starch derived ceramic for lithium ion batteries
PublicationThe anode materials derived of preceramic polymer poly(1,2-dimethylsilazane) (PSN) and starch was study. Commercially available polysilazane (poly(1,2-dimethylsilazane (PSN 2M01 Gelest) was mixed with commercially available starch (POCH Gliwice). The ratio polymer/starch (PSN/starch) was 1/1 or 3/7. The polysialazane/starch blend was cross-linked at 230 ºC for 2 h followed by heating to the final temperature (500 ºC, 700 ºC and...
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Investigations of the Working Process in a Dual-Fuel Low-Emission Combustion Chamber for an FPSO Gas Turbine Engine
PublicationThis investigation is devoted to an analysis of the working process in a dual-fuel low-emission combustion chamber for a floating vessel’s gas turbine. The low-emission gas turbine combustion chamber with partial pre-mixing of fuel and air inside the outer and inner radial-axial swirlers was chosen as the object of research. When modelling processes in a dual-flow low-emission gas turbine combustion chamber, a generalized method...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Microcrystalline Cellulose Management in the Production of Poly(ether-urethane)s- Structure, Morphology, and Thermal Characteristic
PublicationIn response to the demand of polymer industry for reducing the use of synthetic chemicals, eco-friendly materials are investigated. In the presented study, bio-based poly(ether-urethane)s were prepared by using microcrystalline cellulose (MCC) and polyether polyol and 1,3-propanediol derived from corn sugar. A step towards sustainability was taken by incorporating bio-based compounds and cellulose, consequently, bio-waste are utilized...
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Cyclodextrin polymers as efficient adsorbents for removing toxic non-biodegradable pimavanserin from pharmaceutical wastewaters
PublicationPresence of even small amount of active pharmaceutical ingredients in the environment carries risks tohuman and animal health, presenting an important issue. The paper presents issues related to the newdrug - pimavanserin (PMV). Biological treatment efficiency of pimavanserin (PMV) was evaluated usinglab-scale Sequencing Batch Reactor (SBR). It has been shown to have a negative effect on aquatic or-ganisms by classifying it as...
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The use of constructed wetlands for the treatment of industrial wastewater
PublicationConstructed wetlands are characterized by specific conditions enabling simultaneous various physical and biochemical processes. This is the result of specific environment for the growth of microorganisms and hydro-phytes (aquatic and semiaquatic plants) which are capable of living in aerobic, anaerobic and facultative anaerobic conditions. Their interaction contributes to the intensification of oxidation and reduction responsible...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublicationThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublicationOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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METHODS OF TEACHING SPATIAL AND URBAN PLANNING AT GEODESY AND CARTOGRAPHY
PublicationSpatial and town planning is a complex process caused by the interaction between natural and social systems at different temporal and spatial scales. That is the reason, why it is difficult to introduce this subject to students studying disciplines other than spatial or urban planning. The main problem is to define goals, the scope and expected educational effects. The second step is to choose the appropriate teaching and assessment...
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WEB-CAM AS A MEANS OF INFORMATION ABOUT EMOTIONAL ATTEMPT OF STUDENTS IN THE PROCESS OF DISTANT LEARNING
PublicationNew methods in education become more popular nowadays. Distant learning is a good example when teacher and student meet in virtual environment. Because interaction in this virtual world might be complicated it seems necessary to assure as much methods of conforming that student is still engaged in the process of learning as it is possible. We would like to present assumption that by means of web-cam we will be able to track facial...
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Electroactive polymer/graphene oxide nanostructured composites; evidence for direct chemical interactions between PEDOT and GOx
PublicationThis work concerns electrochemical synthesis of nanocomposites consisting of conducting polymer and reduced graphene oxide (rGOx) as electrode materials for supercapacitors. The electrosynthesis was performed in an aqueous solution of the 3,4-ethylenedioxytiophene (EDOT) monomer and graphene oxide (GOx) without supporting electrolyte. The amount of GOx was optimized to obtain the best electrochemical performance of the nanocomposite...
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New Materiality-towards ‘Media Environments
PublicationArticle presents media solutions providing new materiality of architectural spaces. Media solutions in architecture evolve in new forms. Articlepresentsboth the developmentof new technological solutionsas well as new ways of application of media solutions in relation toarchitectural form. The aim of the article is to show technical aspects of new materiality - intelligent materials, allowing transmission of changeable visual content...
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The Influence of Articular Cartilage Thickness Reduction on Meniscus Biomechanics
PublicationObjective Evaluation of the biomechanical interaction between meniscus and cartilage in medial compartment knee osteoarthritis. Methods The finite element method was used to simulate knee joint contact mechanics. Three knee models were created on the basis of knee geometry from the Open Knee project. We reduced the thickness of medial cartilages in the intact knee model by approximately 50% to obtain a medial knee osteoarthritis...
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Degradation of a nano-cutting tool: an MD simulation
PublicationW pracy przedstawiono wyniki symulacji wielokrotnego oddziaływania realistycznie ukształtowanego ostrza tnącego z modelowym, nieskończenie twardym ziarnem, przy zastosowaniu metody dynamiki molekularnej. Ostrze składało się z kilkuset tysięcy atomów metalu fcc, traktowanego za pomocą potencjału Suttona-Chena, przesuwane było ze stałą prędkością 20 m/s. Obserwowane deformacje plastyczne pojawiające się na skutek kontaktu ostrza...
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Karaś P., Kochanowicz K., Pitek M., Domański P., Obuchowski I., Tomiczek B., Liberek K.: Evolution towards simplicity in bacterial small heat shock protein system// eLife -, (2023), s.1-21
PublicationEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either...
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Computational analysis of power-law fluids for convective heat transfer in permeable enclosures using Darcy effects
PublicationNatural convection is a complex environmental phenomenon that typically occurs in engineering settings in porous structures. Shear thinning or shear thickening fuids are characteristics of power-law fuids, which are non-Newtonian in nature and fnd wide-ranging uses in various industrial processes. Non-Newtonian fuid fow in porous media is a difcult problem with important consequences for energy systems and heat transfer. In this...
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ANALYSIS AND OPTIMIZATION OF ELECTRIC VEHICLE CHARGING PROCESSES IN TRANSACTIVE ENERGY SYSTEMS
PublicationThe implementation of smart charging of electric vehicles allows operators of local power networks and electricity suppliers to implement new business models for the interaction of electric vehicles with the network. In addition to the optimal selection of Microgrid capacities when charging electric vehicles, it is also important to use different charging methods. To satisfy the interests of all participants of local systems from...
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Potential of nanocomposites of zero valent copper and magnetite with Eleocharis dulcis biochar for packed column and batch scale removal of Congo red dye
PublicationThe current study is the first attempt to prepare nanocomposites of Eleocharis dulcis biochar (EDB) with nano zero-valent Copper (nZVCu/EDB) and magnetite nanoparticles (MNPs/EDB) for batch and column scale sequestration of Congo Red dye (CR) from synthetic and natural water. The adsorbents were characterized with advanced analytical techniques. The impact of EDB, MNPs/EDB and nZVCu/EDB dosage (1–4 g/L), pH (4–10), initial concentration...
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Hyperelastic Microcantilever AFM: Efficient Detection Mechanism Based on Principal Parametric Resonance
PublicationThe impetus of writing this paper is to propose an efficient detection mechanism to scan the surface profile of a micro-sample using cantilever-based atomic force microscopy (AFM), operating in non-contact mode. In order to implement this scheme, the principal parametric resonance characteristics of the resonator are employed, benefiting from the bifurcation-based sensing mechanism. It is assumed that the microcantilever is made...
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Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublicationThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
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Robot-Based Intervention for Children With Autism Spectrum Disorder: A Systematic Literature Review
PublicationChildren with autism spectrum disorder (ASD) have deficits in the socio-communicative domain and frequently face severe difficulties in the recognition and expression of emotions. Existing literature suggested that children with ASD benefit from robot-based interventions. However, studies varied considerably in participant characteristics, applied robots, and trained skills. Here, we reviewed robot-based interventions targeting...
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Comparative analysis of mRNA transcripts of HT-29 cell line expressed in identical quantities for pathogenic E. coli strains UM146 and UM147 with control Escherichia coli Nissle 1917
PublicationAim of study was comparative analysis of mRNA transcripts of HT-29 cell line, expressed in identical quantities for the combination of pathogenic and non-pathogenic Escherichia coli strains. HT-29 confluent monolayers infection with two pathogenic E. coli strains UM146 and UM147 resulted in two sets of mRNA transcripts that were identical with RNA transcripts obtained for non-pathogenic one strain E. coli Nissle 1917. In this study...
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An Empirical Study on the Impact of Gender on Mobile Applications Usability
PublicationIn the area of broadband wireless Internet, mobile applications have already replaced their desktop equivalents and are recognized as valuable tools for any size of businesses and for private use. With the emergence of millions of apps, the quality of their interaction with the user remains an open question for software vendors. While female and male requirements and preferences are not always similar, to the best of our knowledge,...