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Search results for: HYBRID SYSTEM
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Photocatalytic decolourization of Rhodamine-B dye by visible light active ZIF-8/BiFeO3 composite
PublicationIn this work, preparation of ZIF-8 supported BiFeO3 photocatalyst by ultrasound cavitation technique was reported. The synthesized materials were characterized using solid UV absorption spectroscopy, Raman Spectroscopy, and SEM. The catalytic function of synthesized photocatalyst under ultraviolet and visible light was examined for the decolourization of Rhodamine-B (Rh-B) dye. To understand the action of the photocatalyst on Rh-B...
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A fast start-up of the organotrophic anammox process inoculated with constructed wetland sediment
PublicationOrganotrophic anaerobic ammonium oxidation (anammox) bacteria can utilize small volatile fatty acids with nitrate as electron acceptors with less energy consumption and no biomass production. To achieve a faster and stable start-up of organotrophic anammox process, in this study, the growth of organotrophic anammox bacteria seeded from hybrid constructed wetland (CW) sediment under different TOC/TN ratios and different chloramphenicol...
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Combination of air-dispersion cathode with sacrificial iron anode generating Fe2+Fe3+2O4 nanostructures to degrade paracetamol under ultrasonic irradiation
PublicationIn the present study, ultrasound (US) was coupled with an electrochemical process (ECP) consisting of a novel cathode of carbon cloth (CC)-carbon black (CB) as the nano-composite air-dispersion cathode (NADC) for the degradation of paracetamol (APAP) in an aquatic medium. The NADC favored in situ production of H2O2 by the cathodic reduction. The implementation of iron sacrificial anode instead of dimensionally stable anodes resulted...
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Bandwidth-size design trade-offs for compact spline-parameterised patch couplers by means of electromagnetic-driven multi-objective optimisation
PublicationBroad bandwidth and small size are the key performance figures for contemporary microwave couplers. These requirements are conflicting, i.e. improvement of one generally leads to degradation of the other assuming fixed topology of the circuit at hand. From a designer's perspective, the knowledge about available design trade-offs is indispensable as it permits for tailoring the circuit for particular applications as well as comparing...
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Variable-fidelity response feature surrogates for accelerated statistical analysis and yield estimation of compact microwave components
PublicationAccounting for manufacturing tolerances is an essential part of a reliable microwave design process. Yet, quantification of geometry and/or material parameter uncertainties is challenging at the level of full-wave electromagnetic (EM) simulation models. This is due to inherently high cost of EM analysis and massive simulations necessary to conduct the statistical analysis. Here, a low-cost and accurate yield estimation procedure...
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Comparison of strain results at a laser weld notch obtained by numerical calculations and experimental measurements
PublicationIn the development of ship structures applying new materials and it’s purposeful placement play an important role. During the last years, especially in a construction of ro-ro type vessels, the usage of novel sandwich structures in cargo decks is profitable. Steel sandwich panel is an innovative solution which at a todays state of development can be used for the construction of any members not taking part in a global bending of...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Mitigating metal-organic framework (MOF) toxicity for biomedical applications
PublicationMetal-organic frameworks (MOFs) are a novel class of crystalline porous materials, consisting of metal ions and organic linkers. These hybrid materials are highly porous and have a large specific surface area, making them of great interest for applications in gas separation, energy storage, biomedical imaging, and drug delivery. As MOFs are being explored for biomedical applications, it is essential to comprehensively assess their...
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Self-assembly of vertically oriented graphene nanostructures: multivariate characterisation by Minkowski functionals and fractal geometry
PublicationThe enormous self-assembly potential that graphene and its derived layered materials offer for responding to the contemporary environmental challenges has made it one of the most investigated materials. Hence, tuning its extraordinary properties and understanding the effect at all scales is crucial to tailoring highly customised electrodes. Vertically oriented graphene nanostructures, also known as carbon nanowalls (CNWs), due...
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Rubrene Thin Films with Viably Enhanced Charge Transport Fabricated by Cryo-Matrix-Assisted Laser Evaporation
PublicationAmong organic semiconductors, rubrene (RB; C42H28) is of rapidly growing interest for the development of organic and hybrid electronics due to exceptionally long spin diffusion length and carrier mobility up to 20 cm2V−1s−1 in single crystals. However, the fabrication of RB thin films resembling properties of the bulk remains challenging, mainly because of the RB molecule’s twisted conformation. This hinders the formation of orthorhombic...
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Experimental and numerical investigation on shell and coil storage unit with biodegradable PCM for modular thermal battery applications
PublicationThermal energy storage (TES) in automotive applications is currently growing in importance. TES can visibly reduce primary energy consumptions, decrease CO2 emission, and improve thermal comfort in electric as well as hybrid vehicles. However, to meet the new ambitious target (15% reduction of CO2 emissions in the new cars until 2025) it is required to use plug-in electric vehicles. For this reason, this paper focuses on the optimization...
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Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons
PublicationNanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. This paper is devoted to hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices such as bridges. Fundamental mechanical properties, including Young’s modulus, Poisson’s ratio, and density, were estimated from first-principles calculations for 1-layer, 3-layer, and...
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Numerical modelling of different airbag folding patterns and their influence on occupant responses in frontal vehicle impact
PublicationThis paper presented a procedure for airbag folding for the application in occupant safety studies and analysed the influence of different airbag folding patterns on the occupant severity in frontal impact. Airbags were folded in two patterns: zig-zag and top-roll, using two folding techniques: Initial Metric Method and Explicit Folding. The explicit folding was found to be more expensive in terms of preparation time. However,...
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A new approach to a fast and accurate design of microwave circuits with complex topologies
PublicationA robust simulation-driven design methodology of microwave circuits with complex topologies has been presented. The general method elaborated is suitable for a wide class of N-port unconventional microwave circuits constructed as a deviation from classic design solutions. The key idea of the approach proposed lies in an iterative redesign of a conventional circuit by a sequential modification and optimisation of its atomic building...
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Surface properties and photocatalytic activity of KTaO3, CdS, MoS2 semiconductors and their binary and ternary semiconductor composites
PublicationSingle semiconductors such as KTaO3, CdS MoS2 or their precursor solutions were combined to form novel binary and ternary semiconductor nanocomposites by the calcination or by the hydro/solvothermal mixed solutions methods, respectively. The aim of this work was to study the influence of preparation method as well as type and amount of the composite components on the surface properties and photocatalytic activity of the new semiconducting...
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Short-Term Observations of Rainfall Chemistry Composition in Bellsund (SW Spitsbergen, Svalbard)
PublicationGlobal warming results in increasingly widespread wildfires, mostly in Siberia, but also in North America and Europe, which are responsible for the uncontrollable emission of pollutants, also to the High Arctic region. This study examines 11 samples of rainfall collected in August in a coastal area of southern Bellsund (Svalbard, Norway). It covers detailed analysis of major ions (i.e., Cl−, NO3−, and SO42−) and elements (i.e.,...
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The influence of azide and imidazole on the properties of Mn- and Cd-based networks: conductivity and nonlinear phenomena
PublicationWe report a study on a family of four new Mn- and Cd-azide-imidazolate-based compounds with various crystal architectures. Notably, three of these compounds display noncentrosymmetric crystal arrangements at room temperature, a rare phenomenon in hybrid organic–inorganic materials. Both nonlinear optical (NLO) and electrical phenomena in these compounds are observed. The NLO processes include second and third harmonic generation,...
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Nanosize effect of clay mineral nanoparticles on the drug diffusion processes in polyurethane nanocomposite hydrogels
PublicationStudies of swelling and release of naproxen sodium (NAP) solution by polyurethane nanocomposite hydrogels containing Cloisite® 30B (organically modified montmorillonite (OMMT)) have been performed. Polyurethane nanocomposite hydrogels are hybrid, nontoxic biomaterials with unique swelling and release properties in comparison with unmodified hydrogels. These features enable to use nanocomposite hydrogels as a modern wound dressing....
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Exploring the trends in flux-cored arc welding: scientometric analysis approach
PublicationFlux-cored arc welding (FCAW) is a universal group of welding methods in terms of the scope of application and automation possibilities, the share of which in various industries in many countries is still increasing. The paper presents the results of bibliographic analyses (scientometric analysis with the use of VOSviewer, Bibliometrix and CitNetExplorer tools) of a data set of 993 publications indexed in the Web of Science database...
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Wastewater treatment by means of advanced oxidation processes based on cavitation – A review
PublicationHydrodynamic and acoustic cavitation combined with advanced oxidation processes (AOPs), including, among others, the Fenton process, is a promising alternative to the technologies of wastewater treatment technologies in use today. The present review discusses processes based on cavitation combined with AOPs and evaluates their effectiveness in oxidation of organic contaminants. Complete degradation of, among others, p-nitrotoluene,...
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Parallel Programming for Modern High Performance Computing Systems
PublicationIn view of the growing presence and popularity of multicore and manycore processors, accelerators, and coprocessors, as well as clusters using such computing devices, the development of efficient parallel applications has become a key challenge to be able to exploit the performance of such systems. This book covers the scope of parallel programming for modern high performance computing systems. It first discusses selected and...
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Atomistic Surrogate-Based Optimization for Simulation-Driven Design of Computationally Expensive Microwave Circuits with Compact Footprints
PublicationA robust simulation-driven design methodology for computationally expensive microwave circuits with compact footprints has been presented. The general method introduced in this chapter is suitable for a wide class of N-port un-conventional microwave circuits constructed as a deviation from classic design solutions. Conventional electromagnetic (EM) simulation-driven design routines are generally prohibitive when applied to numerically...
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Effective sonophotocatalytic degradation of tetracycline in water: Optimization, kinetic modeling, and degradation pathways
PublicationHybrid advanced oxidation processes (AOPs) are gaining interest in degradation of variety of recalcitrant compounds for water and wastewater treatment, due to possible synergistic effects. The present study systematically evaluated the degradation of tetracycline (TC) with a sonophotocatalytic process combining acoustic cavitation (sonocavitation) and photocatalysis based on N-doped TiO2 catalyst. The TC degradation rate constant...
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Unequally-Spaced Slot Strategy for Radiation Null Reduction in Single SIW-Embedded Antenna Element
PublicationThe incorporation of higher-order modes (HOMs) can substantially augment the antenna gain and bandwidth, but this improvement is typically accompanied by compromised radiation performance including radiation nulls and higher side lobe levels. In this study, an inventive strategy is introduced to reduce the radiation nulls and the side lobe levels of a single antenna element by positioning multiple slots of the radiating element...
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Selected aspects of performance of organic Rankine cycles incorporated into bioenergy with carbon capture and storage using gasification of sewage sludge
PublicationThe study aims to investigate the application of the Organic Rankine Cycle (ORC) in the bioenergy with carbon capture and storage (BECCS) using gasification of sewage sludge. The tool used in the investigation is the Aspen Plus software with REFPROP property methods for calculating fluid properties. The reason for this study is that a detailed analysis of the proposed BECCS process flow diagram indicates that a certain amount of...
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Ukrainian Market of Electrical Energy: Reforming, Financing, Innovative Investment, Efficiency Analysis, and Audit
PublicationThe aim of this research is to determine the influence of electrical energy market regulation reform in Ukraine on the competitive environment, the reproduction processes of financial and innovative support, and the energy efficiency of the national economy. The authors have put forward and verified the hypothesis that, under conditions of institutional maturity of the Ukrainian electrical energy market, its liberalization and...
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Tuning the Laser-Induced Processing of 3D Porous Graphenic Nanostructures by Boron-Doped Diamond Particles for Flexible Microsupercapacitors
PublicationCarbon (sp3)-on-carbon (sp2) materials have the potential to revolutionize fields such as energy storage and microelectronics. However, the rational engineering and printing of carbon-on-carbon materials on flexible substrates remains a challenge in wearable electronics technology. This study demon-strates the scalable fabrication of flexible laser-induced graphene (LIG)-boron doped diamond nanowall (BDNW) hybrid nanostructures...
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A facile approach to fabricate load-bearing porous polymer scaffolds for bone tissue engineering
PublicationBiodegradable porous scaffolds with oriented interconnected pores and high mechanical are load-bearing biomaterials for bone tissue engineering. Herein, we report a simple, non-toxic, and cost-effective method to fabricate high-strength porous biodegradable scaffolds, composed of a polymer matrix of polycaprolactone (PCL) and water-soluble poly (ethylene oxide) (PEO) as a sacrificial material by integrating annealing treatment,...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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An attempt to create a digital reconstruction of the Copper Ship = Próba cyfrowej rekonstrukcji kadłuba wraku Miedziowca
PublicationThis study presents an attempt to create a digital reconstruction of the W-5 shipwreck (the Copper Ship) based on data acquired by 3D scanning of structural components held at the National Maritime Museum in Gdańsk and on a physical reconstruction model of the ship’s hull. A digital reconstruction would facilitate analysis of various possible options for the structural design of the hull, and would enable the preparation of a model for...
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5G/6G optical fronthaul modeling: cost and energy consumption assessment
PublicationIn fifth generation (5G) and the future beyond 5G (6G) radio access networks (RANs), the cost of fronthaul deployment is a main challenge for mobile network operators. Depending on different constraints, there are various solutions to deploy an efficient fronthaul. Fiber-optic-based fronthaul offers long-term support with regard to a rapid increase in capacity demands. When fiber connections, either point-to-point (P2P) or point-to-multipoint...
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An automated learning model for twitter sentiment analysis using Ranger AdaBelief optimizer based Bidirectional Long Short Term Memory
PublicationSentiment analysis is an automated approach which is utilized in process of analysing textual data to describe public opinion. The sentiment analysis has major role in creating impact in the day-to-day life of individuals. However, a precise interpretation of text still relies as a major concern in classifying sentiment. So, this research introduced Bidirectional Long Short Term Memory with Ranger AdaBelief Optimizer (Bi-LSTM RAO)...
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UV-Vis-Induced Degradation of Phenol over Magnetic Photocatalysts Modified with Pt, Pd, Cu and Au Nanoparticles
PublicationThe combination of TiO2 photocatalyst and magnetic oxide nanoparticles enhances the separation and recoverable properties of nanosized TiO2 photocatalyst. Metal-modified (Me = Pd, Au, Pt, Cu) TiO2/SiO2@Fe3O4 nanocomposites were prepared by an ultrasonic-assisted sol-gel method. All prepared samples were characterized by X-ray powder diffraction (XRD) analysis, Brunauer-Emmett-Teller (BET) method, X-ray photoelectron spectroscopy...
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Copper(I) iodide ribbons coordinated with thiourea derivatives
PublicationTwo products of the reactions of CuI with 1-benzoyl-3-(4-bromophenyl)thiourea and with 1-benzoyl-3-(2-iodophenyl)thiourea have been obtained and characterized, namely poly[[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-µ3-iodidocopper(I)] acetone hemisolvate], {[CuI(C₁₄H₁₁BrN₂OS)]‧0.5C₃H₆O}ₙ, and poly-[µ₄-iodido-µ₃-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)], [Cu₂I₂(C₁₄H₁₀N₂OS)]ₙ. Their structures, determined by single-crystal...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Recent advancements in LC‐MS based analysis of biotoxins: Present and future challenges
PublicationThere has been a rising concern regarding the harmful impact of biotoxins, source of origin, and the determination of the specific type of toxin. With numerous reports on their extensive spread, biotoxins pose a critical challenge to figure out their parent groups, metabolites, and concentration. In that aspect, liquid chromatography‐mass spectrometry (LC‐MS) based analysis paves the way for its accurate identification and quantification....
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Hydrochars as a bio-based adsorbent for heavy metals removal: A review of production processes, adsorption mechanisms, kinetic models, regeneration and reusability of hydrochar
PublicationThe spread of heavy metals throughout the ecosystem has extremely endangered human health, animals, plants, and natural resources. Hydrochar has emerged as a promising adsorbent for removing heavy metals from water and wastewater. Hydrochar, obtained from hydrothermal carbonization of biomass, owns unique physical and chemical properties that are highly potent in capturing heavy metals via surface complexation, electrostatic interactions,...
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Novel composite of Zn/Ti-layered double hydroxide coupled with MXene for the efficient photocatalytic degradation of pharmaceuticals
PublicationIn the present study, a hybrid photocatalyst of Zn/Ti layered double hydroxide (LDH) coupled with MXene – Ti3C2 was synthesized for the first time and applied in photocatalytic degradation of acetaminophen and ibuprofen, two commonly present in the natural environment and prone to accumulate in the aquatic ecosystem pharmaceuticals. The effect of MXene content (0.5 wt%, 2.5 wt%, and 5 wt%) on the photocatalytic activity of LDH/MXene...
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Cavitation-Based Processes for Water and Wastewater Treatment
PublicationCavitation based on advanced oxidation processes (Cav-AOPs) is interesting alternatives for already implemented wastewater treatment technologies. Destructive and strongly undesirable phenomena in the industry, i.e., cavitation, revealed to be useful in a positive manner as a source of energy for chemical reactions. During the implosion of cavitation bubbles, focused energy and resulting high temperature and pressure allows to...
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Structural, thermal and physico-mechanical properties of polyurethane/brewers’ spent grain composite foams modified with ground tire rubber
PublicationIn this work, brewers’ spent grain (BSG) and ground tire rubber (GTR) waste fillers were applied as low-cost reinforcement phase in rigid polyurethane foam (PUR). PUR/BSG/GTR composites were prepared by a single step method, using polyglycerol as partial substitute of commercially available petrochemical polyols. Foaming parameters, chemical structure, dynamic mechanical properties, thermal stability, physico-mechanical properties...
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Comparison of Tire Rolling Resistance Measuring Methods for Different Surfaces
PublicationThe rolling resistance of car tires is one of the most important parameters characterizing tires today. This resistance has a very significant contribution to the energy consumption of wheeled vehicles. The climate crisis has forced tire and car manufacturers to place great emphasis on the environmental impact of their products. Paradoxically, the development of electric vehicles has led to an even greater importance of rolling...
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Mission impossible for cellular internalization: When porphyrin alliance with UiO-66-NH2 MOF gives the cell lines a ride
PublicationIs it possible to accelerate cell internalization by hybridization of nanomaterials? Herein we support the realization of using metal-organic frameworks (MOFs) with the assistance of rigid porphyrin structure (H2TMP) aimed at drug loading, drug release, relative cell viability, and targeted in vitro drug delivery. There are several MOFs, i.e., UiO-66-NH2 (125 ± 12.5 nm), UiO-66-NH2 @H2TMP (160 ± 14 nm), UiO-66-NH2 @H2TMP@DOX, and...
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Complex multidisciplinary optimization of turbine blading systems
PublicationThe paper describes the methods and results of direct optimization of turbine blading systems using a software package Opti_turb. The final shape of the blading is obtained from minimizing the objective function, which is the total energy loss of the stage, including the leaving energy. The current values of the objective function are found from 3D RANS computations (from a code FlowER) of geometries changed during the process...
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Trace Metal Contamination of Bottom Sediments: A Review of Assessment Measures and Geochemical Background Determination Methods
PublicationThis paper provides an overview of different methods of assessing the trace metal (TM) contamination status of sediments affected by anthropogenic interference. The geochemical background determination methods are also described. A total of 25 papers covering rivers, lakes, and retention tanks sediments in areas subjected to anthropogenic pressure from the last three years (2019, 2020, and 2021) were analysed to support our examination...
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Multiplicative Long Short-Term Memory with Improved Mayfly Optimization for LULC Classification
PublicationLand Use and Land Cover (LULC) monitoring is crucial for global transformation, sustainable land control, urban planning, urban growth prediction, and the establishment of climate regulations for long-term development. Remote sensing images have become increasingly important in many environmental planning and land use surveys in recent times. LULC is evaluated in this research using the Sat 4, Sat 6, and Eurosat datasets. Various...
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Release systems based on self-assembling RADA16-I hydrogels with a signal sequence which improves wound healing processes
PublicationSelf-assembling peptides can be used for the regeneration of severely damaged skin. They can act as scaffolds for skin cells and as a reservoir of active compounds, to accelerate scarless wound healing. To overcome repeated administration of peptides which accelerate healing, we report development of three new peptide biomaterials based on the RADA16-I hydrogel functionalized with a sequence (AAPV) cleaved by human neutrophil elastase...
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublicationThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublicationOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...