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Editorial for the special issue on advances in forward and inverse surrogate modeling for high-frequency design
PublikacjaThe design of modern‐day high‐frequency devices and circuits, including microwave/RF, antenna and photonic components, historically has relied on full‐wave electromagnetic (EM) simulation tools. Initially used for design verification, EM simulations are nowadays used in the design process itself, for example, for finding optimum values of geometry and/or material parameters of the structures of interest. In a growing number of...
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Solvent dependency of carbon dioxide Henry's constant in aqueous solutions of choline chloride-ethylene glycol based deep eutectic solvent
PublikacjaThe Henry's constants of carbon dioxide absorbed in aqueous solutions of ethaline (choline chloride-ethylene glycol) were determined for temperatures ranging from 303.15 to 323.15 K based on solubility measurement at CO2 pressure ranging from 0 to 6 bar (0.6 MPa). These studies revealed that the Henry's constant increased with the increase of temperature. Data indicated the highest capacity of CO2 absorption is obtained for ethaline...
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Coupling between Blood Pressure and Subarachnoid Space Width Oscillations during Slow Breathing
PublikacjaThe precise mechanisms connecting the cardiovascular system and the cerebrospinal fluid (CSF) are not well understood in detail. This paper investigates the couplings between the cardiac and respiratory components, as extracted from blood pressure (BP) signals and oscillations of the subarachnoid space width (SAS), collected during slow ventilation and ventilation against inspiration resistance. The experiment was performed on...
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Bioactive hybrid metal-organic framework (MOF)-based nanosensors for optical detection of recombinant SARS-CoV-2 spike antigen
PublikacjaFast, efficient, and accurate detection of SARS-CoV-2 spike antigen is pivotal to control the spread and reduce themortality of COVID-19. Nevertheless, the sensitivity of available nanobiosensors to detect recombinant SARS-CoV-2 spike antigen seems insufficient. As a proof-of-concept, MOF-5/CoNi2S4 is developed as a low-cost, safe, and bioactive hybrid nanostructure via the one-pot high-gravity protocol. Then, the porphyrin, H2TMP,...
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Design and Analysis of Artificial Neural Network (ANN) Models for Achieving Self-Sustainability in Sanitation
PublikacjaThe present study investigates the potential of using fecal ash as an adsorbent and demonstrates a self-sustaining, optimized approach for urea recovery from wastewater streams. Fecal ash was prepared by heating synthetic feces to 500 °C and then processing it as an adsorbent for urea adsorption from synthetic urine. Since this adsorption approach based on fecal ash is a promising alternative for wastewater treatment, it increases...
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Zero-range potentials for Dirac particles: Bound-state problems
PublikacjaA model in which a massive Dirac particle in $\mathbb{R}^{3}$ is bound by $N\geqslant1$ spatially distributed zero-range potentials is presented. Interactions between the particle and the potentials are modeled by subjecting a particle's bispinor wave function to certain limiting conditions at the potential centers. Each of these conditions is parametrized by a $2\times2$ Hermitian matrix (or, equivalently, a real scalar and a...
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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...
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Human System Interaction in Review: Advancing the Artificial Intelligence Transformation
PublikacjaThe industrial advancement of human society has been fundamentally driven by diverse ‘systems’ that facilitate ‘human interaction’ within physical, digital, virtual, social and artificial environments, and upon the hyper-connected layers of system-system interactions across these environments. The research and practice of Human System Interaction (HSI) has undergone exponential development due to the enhanced capabilities, increased...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublikacjaAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Expedited Globalized Antenna Optimization by Principal Components and Variable-Fidelity EM Simulations: Application to Microstrip Antenna Design
PublikacjaParameter optimization, also referred to as design closure, is imperative in the development of modern antennas. Theoretical considerations along with rough dimension adjustment through supervised parameter sweeping can only yield initial designs that need to be further tuned to boost the antenna performance. The major challenges include handling of multi-dimensional parameter spaces while accounting for several objectives and...
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Enhanced Activity of P4503A4 and UGT1A10 Induced by Acridinone Derivatives C-1305 and C-1311 in MCF-7 and HCT116 Cancer Cells: Consequences for the Drugs’ Cytotoxicity, Metabolism and Cellular Response
PublikacjaActivity modulation of drug metabolism enzymes can change the biotransformation of chemotherapeutics and cellular responses induced by them. As a result, drug-drug interactions can be modified. Acridinone derivatives, represented here by C-1305 and C-1311, are potent anticancer drugs. Previous studies in non-cellular systems showed that they are mechanism-based inhibitors of cytochrome P4503A4 and undergo glucuronidation via UDP-glucuronosyltranspherase...
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Two-step mechanism of J-domain action in driving Hsp70 function
PublikacjaJ-domain proteins (JDPs), obligatory Hsp70 cochaperones, play critical roles in protein homeostasis. They promote key allosteric transitions that stabilize Hsp70 interaction with substrate polypeptides upon hydrolysis of its bound ATP. Although a recent crystal structure revealed the physical mode of interaction between a J-domain and an Hsp70, the structural and dynamic consequences of J-domain action once bound and how Hsp70s...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublikacjaThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Potential of Silver Nanoparticles in Overcoming the Intrinsic Resistance of Pseudomonas aeruginosa to Secondary Metabolites from Carnivorous Plants
PublikacjaCarnivorous plants are exemplary natural sources of secondary metabolites with biological activity. However, the therapeutic antimicrobial potential of these compounds is limited due to intrinsic resistance of selected bacterial pathogens, among which Pseudomonas aeruginosa represents an extreme example. The objective of the study was to overcome the intrinsic resistance of P. aeruginosa by combining silver nanoparticles (AgNPs)...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublikacjaThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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Wetlands in flux: looking for the drivers in a central European case
PublikacjaPlanet Earth is undergoing significant changes which are driven by natural and anthropogenic factors. However, it is difficult to identify the drivers and their effect on the environment and ecosystems because there are many interdependencies. In this study we present a multi-parameter approach to assess the effect of changes in human-induced and natural drivers on a wetland ecosystem. The study area is one of the most prominent...
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Towards understanding the role of peroxide initiators on compatibilization efficiency of thermoplastic elastomers highly filled with reclaimed GTR
PublikacjaThermoplastic elastomers based on recycled high density polyethylene (rHDPE) and styrene-butadiene-styrene (SBS) block copolymer were highly filled with reclaimed ground tire rubber (RR). The impact of various organic peroxides (dicumyl peroxide (DCP), benzoyl peroxide (BP) and di-tert-butyl peroxide (DB)), applied as free-radical initiators, on the processing, structure and performance properties of rHDPE/SBS/RR blends was investigated....
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RACIAL COMPOSITION OF COMMUNITIES AND PARTICIPATION OF ADOLESCENTS
PublikacjaThe investigation used the Add Health data set to examine the association between communities’ composition with respect to race and participation in extracurricular school activities in secondary education. Results of this analysis show that the composition of adolescents’ communities matters for individuals’ participation outcomes in extracurricular school activities. The results find further support in previous research connecting...
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3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea
PublikacjaIn the title compound, C32H30N4O2S2, the carbonyl and thiocarbonyl groups are found in a rare synclinal conformation, with an S-C···C-O pseudo-torsion angle of 62.6(2)°. The molecule has Ci = S2 point-group symmetry with a crystallographic center of inversion located in the middle of the ethylene bridge. One of the symmetry-independent phenyl...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublikacjaSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
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CNN-CLFFA: Support Mobile Edge Computing in Transportation Cyber Physical System
PublikacjaIn the present scenario, the transportation Cyber Physical System (CPS) improves the reliability and efficiency of the transportation systems by enhancing the interactions between the physical and cyber systems. With the provision of better storage ability and enhanced computing, cloud computing extends transportation CPS in Mobile Edge Computing (MEC). By inspecting the existing literatures, the cloud computing cannot fulfill...
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Climate change impact on groundwater resources in sandbar aquifers in southern Baltic coast
PublikacjaShallow coastal aquifers are vulnerable hydrosystems controlled by many factors, related to climate, seawater‑freshwater interactions and human activity. Given on‑going climate change, sea level rise and increasing human impact, it is especially true for groundwater resources situated in sandbars. We developed numerical models of unsaturated zone water flow for two sandbars in northern Poland: the Vistula Spit and the Hel Spit...
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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublikacjaA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Thriving in multicultural work settings
PublikacjaOwing to globalization and the global mobility of workforce, working in multicultural environments has become a daily reality for an increasing number of manpower. Such an environment does introduce unique challenges to individuals, enabling some of them to thrive. The aim of the paper, therefore, is to explore the antecedents of thriving and its components in multicultural work settings of multinational corporations (MNCs). The...
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Nanosize effect of clay mineral nanoparticles on the drug diffusion processes in polyurethane nanocomposite hydrogels
PublikacjaStudies 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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Morphology, Mechanical and Thermal Properties of Thermoplastic Polyurethane Containing Reduced Graphene Oxide and Graphene Nanoplatelets
PublikacjaPolyurethane/graphene nanocomposites were synthesized using commercial thermoplastic polyurethane (TPU, Apilon 52DE55), and two types of graphene derivatives: graphene nanoplatelets (GNP) and reduced graphene oxide (RGO). Fourier Transformation Infrared Spectroscopy Fourier Transformation Infrared Spectroscopy (FTIR) spectroscopy, TEM, and SEM microscopy and XRD techniques were used to chemically and structurally characterize GNP...
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Interfacially modified LDPE/GTR composites with non-polar elastomers: From microstructure to macro-behavior
PublikacjaThis paper provides some new insights into the mechanism of interaction and modifications in thermoplastic composites based on low density polyethylene (LDPE), ground tire rubber (GTR) and non-polar elastomer. The composites were prepared using a co-rotating twin-screw extruder at variable LDPE/GTR ratio and constant elastomer content. Two types of commercial elastomer were applied: styrene-butadiene-styrene (SBS) block copolymers (Kraton®)...
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Ionic liquids for nano- and microstructures preparation. Part 1: Properties and multifunctional role
PublikacjaIonic liquids (ILs) are a broad group of organic salts of varying structure and properties, used in energy conversion and storage, chemical analysis, separation processes, as well as in the preparation of particles in nano- and microscale. In material engineering, ionic liquids are applied to synthesize mainly metal nanoparticles and 3D semiconductor microparticles. They could generally serve as a structuring agent or as a reaction...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublikacjaPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublikacjaTwo novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an...
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublikacjaHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
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Structure and performance properties of environmentally-friendly biocomposites based on poly(ɛ-caprolactone) modified with copper slag and shale drill cuttings wastes
PublikacjaThe potential application of two types of industrial wastes, drill cuttings (DC) and copper slag (CS), as silica-rich modifiers of poly(ɛ-caprolactone) (PCL) was investigated. Chemical structure and physical properties of DC and CS fillers were characterized using X-ray diffractometer, X-ray fluorescence spectroscopy, particle size and density measurements. PCL/DC and PCL/CS composites with a variable content of filler (5 to 50...
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Selected local stability problems of channel section flanges made of aluminium alloys
PublikacjaThe paper addresses the issue of local buckling of compressed flanges of cold-formed thin-walled channel columns and beams with nonstandard flanges composed of aluminium alloys. The material behaviour follows the Ramberg–Osgood law. It should be noted that the proposed solution may be also applied for other materials, for example: stainless steel, carbon steel. The paper is motivated by an increasing interest in nonstandard cold-formed...
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublikacjaThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublikacjaIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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Comparative Analysis of the Cofee and Cocoa Industry By‑Products on the Performance of Polyethylene‑Based Composites
PublikacjaThe application of plant-based by-products from the food industry as minimally processed functional fillers for polymeric composites is an increasingly popular trend among researchers and manufacturers. While minimizing the preprocessing of lignocellulosic fillers leads to an increase in the sustainability of the overall composite and a decrease of the carbon footprint, filler modification is usually indispensable to obtaining...
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublikacjaIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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Encouraging pro-environmental behaviour through an educational mobile application: Preliminary insights from early adopters
PublikacjaThis article aims to explore the extent to which the educational mobile application PULA supports and promotes pro-environmental behaviours, identify the most utilised functionalities by early adopters, and explore the least engaged functionalities. The study employs a quantitative approach based on data collected from the application. The analysis provides a comprehensive understanding of users' experiences and behaviours within...
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Impact evaluation of a cycling promotion campaign using daily bicycle counters data: The case of Cycling May in Poland
PublikacjaThe promotion of active and sustainable transport modes as an alternative to motorised individual transport has become a key policy priority in Europe, to reduce air pollution, road congestion, noise, traffic injuries, and the adverse health outcomes of sedentary lifestyles. Policymakers are implementing a wide range of measures to encourage this shift in attitudes and behaviours. These interventions are most valuable when targeting...
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A Vision of Sustainable Design Concepts for Upgrading Vulnerable Coastal Areas in Light of Climate Change Impacts: A Case Study from Beirut, Lebanon
PublikacjaRapid urbanization combined with the effects of climate change has increased the vulnerability of poor urban communities to natural hazards, particularly to informal settlements located in coastal areas. Apart from socio-economic challenges, the effects of climate change threaten the very existence of these settlements. They are particularly vulnerable due to their poor structural quality and lack of adequate infrastructure to...
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Postbiotics in oncology: science or science fiction?
PublikacjaThe gut microbiome has been increasingly understood to play a critical role in carcinogenesis and cancer disease progression. The most recent research advancements have shown that different tools of microbiota manipulation contribute to gut microbiome–immune–oncology axis modulation, offering exciting opportunities for targeted interventions aimed at improving the efficacy of established anti-cancer therapy. Postbiotics are a new...
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Encouraging Pro-environmental Behaviour Through an Educational Mobile Application: Preliminary Insights from Early Adopters
PublikacjaThis article aims to explore the extent to which the educational mobile application PULA supports and promotes pro-environmental behaviours, identify the most utilised functionalities by early adopters, and explore the least engaged functionalities. The study employs a quantitative approach based on data collected from the application. The analysis provides a comprehensive understanding of users' experiences and behaviours within...
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Przegląd Czytelnia
PublikacjaPropozycja czterech publikacji, polecanych jako lektura dla architektów: Czasopismo eVolo z 2010 roku pod tytułem „Skyscrapers od the Future”. Znalazło się w nim m.in. 30 prac przysłanych na światowy konkurs architektoniczny na „najbardziej awangardowe idee dla wertykalnej intensywności” – 09 Skyscraper Competition; (2) „Urban Interventions. Personal Projects in Public Spaces” pod redakcją Roberta Klantena i Matthiasa Hubnera,...
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Post‐Second World War Reconstruction of Polish Cities: The Interplay Between Politics and Paradigms
PublikacjaBy the end of the Second World War, many of the Polish cities—and especially their historic centres—were in ruins. This was caused by both bombings and sieges conducted by the Nazis and Soviets. The particular group of cities is associated with former German lands—now called the “Recovered Territories”—which were incorporated into the borders of Poland as compensation for its Eastern Borderlands lost to the Soviet Union. These...
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On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
PublikacjaIn this paper droplet evaporative crystallization of salicylic acid (SA) and acetylsalicylic acid (ASA) crystals on different surfaces, such as glass, polyvinyl alcohol (PVA), and paraffin was studied. The obtained crystals were analyzed using powder X-ray diffraction (PXRD) technique. In order to better understand the effect of the surface on evaporative crystallization, crystals deposited on glass were scraped off. Moreover,...
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THE UNSUSTAINABILITY OF PUBLIC-SECTOR ORGANIZATIONAL NETWORKS: A CASE STUDY OF VOLUNTARY COURT NETWORKS
PublikacjaPurpose: The purpose of this study is to identify the problem of sustainability of public-sector 12 organizational networks on the example of common courts and what it implies for further 13 research. Methodology: The study used qualitative research tools in the form of structured 14 interviews. Interviews were conducted with 36 presidents and directors of common courts. 15 After conducting and transcribing each interview, their...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Up-to-date strategies and future trends towards the extraction and purification of Capsaicin: A comprehensive review
PublikacjaBackground According to the current need of manufacturing healthier products, food companies are seeking specific biomolecules that may offer additional added value (i.e., biological activities) to the new food formulations. Capsaicin, as the pungent ingredient of chili peppers, has become so far one of the target biomolecules explored since the 1950s. There is evidence demonstrating that capsaicin exhibits important biological...
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Lead In drinking water: Adsorption method and role of zeolitic imidazolate frameworks for its remediation: A review
PublikacjaDue to various characteristics properties lead(II) metal is utilized in many applications like lead ion batteries, water pipes, ammunition and paints. For this reason, concentration of lead(II) ions in water is increasing days by days which is alarming for water pollution. Water pollution is a major problem worldwide which affects biosphere badly, and causes continuous reduction of accessible sources of fresh water and ground water, available...
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Expedited Variable-Resolution Surrogate Modeling of Miniaturized Microwave Passives in Confined Domains
PublikacjaDesign of miniaturized microwave components is largely based on computational models, primarily, full-wave electromagnetic (EM) simulations. EM analysis is capable of giving an accurate account for cross-coupling effects, substrate and radiation losses, or interactions with environmental components (e.g., connectors). Unfortunately, direct execution of EM-based design tasks such as parametric optimization or uncertainty quantification,...