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Wyniki wyszukiwania dla: Intermolecular%20interactions
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublikacjaWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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Insights into Compatibilization of Poly(ε-caprolactone)-based Biocomposites with Diisocyanates as Modifiers of Cellulose Fillers
PublikacjaThis study aimed to analyze the impact of cellulose fillers’ modification with diisocyanates on the performance of composites based on the poly(ε-caprolactone) (PCL) matrix. Four most commonly used diisocyantes (isophorone, hexamethylene, toluene, and methylene diphenyl) were applied as modifiers of cellulose fillers (5 and 15 wt% per mass of filler). Modified fillers were introduced in the amount of 30 wt% into the PCL matrix....
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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublikacjaThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of carbon atoms in the n-alkyl chain...
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In silico epitope prediction of Borrelia burgdorferi sensu lato antigens for the detection of specific antibodies
PublikacjaDespite many years of research, serodiagnosis of Lyme disease still faces many obstacles. Difficulties arise mainly due to the low degree of amino acid sequence conservation of the most immunogenic antigens among B. burgdorferi s.l. genospecies, as well as differences in protein production depending on the environment in which the spirochete is located. Mapping B-cell epitopes located on antigens allows for a better understanding...
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Exploring Relationships Between Data in Enterprise Information Systems by Analysis of Log Contents
PublikacjaEnterprise systems are inherently complex and maintaining their full, up-to-date overview poses a serious challenge to the enterprise architects’ teams. This problem encourages the search for automated means of discovering knowledge about such systems. An important aspect of this knowledge is understanding the data that are processed by applications and their relationships. In our previous work, we used application logs of an enterprise...
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Effect of ectoine on hydration spheres of peptides–spectroscopic studies
PublikacjaIn this paper, we use FTIR spectroscopy to characterize the hydration water of ectoine, its interactions with two peptides–diglycine and NAGMA, and the properties of water molecules in the hydration spheres of both peptides changed by the presence of the osmolyte. We found that the interaction of ectoine with the peptide hydration shells had no effect on its own hydration sphere. However, the enhanced hydration layer of the osmolyte...
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Analytical Strategies and Applications in Lipidomics
PublikacjaLipidomics is a field of study aiming at a comprehensive analysis of a set of lipids in biological systems. This includes both quantitative and qualitative characterization of lipid profiles, comparative studies of lipidomes, and analysis of lipid-protein interactions. Lipids are structurally diversified that make their analysis a challenging task. The constant advances in analytical technologies, especially in the field of high-performance...
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Removal of nonsteroidal anti-inflammatory drugs and analgesics from wastewater by adsorption on cross-linked β-cyclodextrin
PublikacjaWe present a method using the material in the form of cross-linked β-cyclodextrin (CD) showing high efficiency in the simultaneous removal of hazardous pollutants from sewage, such as diclofenac (DIC), ibuprofen (IBU), ketoprofen (KETO), naproxen (NAPR), salicylic acid (SALI) and tramadol (TRAM). The material is stable and particularly easy to regenerate. The sorbent probably remembers the shape of the contaminants, which increases...
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Molecular Imaging and Nanotechnology—Emerging Tools in Diagnostics and Therapy
PublikacjaPersonalized medicine is emerging as a new goal in the diagnosis and treatment of diseases. This approach aims to establish differences between patients suffering from the same disease, which allows to choose the most effective treatment. Molecular imaging (MI) enables advanced insight into molecule interactions and disease pathology, improving the process of diagnosis and therapy and, for that reason, plays a crucial role in personalized...
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Waste tire rubber as low-cost and environmentally-friendly modifier in thermoset polymers – a review
PublikacjaNowadays, waste tire rubber (WTR) management is a growing and serious problem. Therefore, research works focused on the development of cost-effective and environmentally-friendly methods of WTR recycling are fully justified. Incorporation of WTR into polymer matrices and composite materials attracts much attention, because this approach allows sustainable development of industrially applicable waste tires recycling technologies....
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Numerical Modelling of Structures with Uncertainties
PublikacjaThe nature of environmental interactions, as well as large dimensions and complex structure of marine offshore objects, make designing, building and operation of these objects a great challenge. This is the reason why a vast majority of investment cases of this type include structural analysis, performed using scaled laboratory models and complemented by extended computer simulations. The present paper focuses on FEM modelling...
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Using human behavior to develop knowledge-based virtual organisations
PublikacjaPropozycja modelu opartego na zachowaniach ludzkich dla potrzeb budowy wirtuanych organizacji opartych na wiedzy.Virtual organizations promote dynamic interaction between individuals, groups, and organizations, who share their capabilities and resources to pursue a common goal and maximize their benefits. Among these resources, knowledge is a critical one that requires special attention in order to support problem-solving activities...
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Mobility and bioavailability of mercury in sediments of the southern Baltic sea in relation to the chemical fractions of iron: Spatial and temporal patterns
PublikacjaMarine sediments play a significant role as reservoirs for mercury (Hg), a bioaccumulative toxic pollutant that poses risks to human and ecosystem health. Iron (Fe) has been recognized as an influential factor in the complexation and bioavailability of Hg in sediments. However, limited studies have investigated the interactions between the chemical fractions of these elements in natural settings. This study aims to examine the...
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Influence of the internet and electronic commerce growth on polish small and medium enterprises. PODAĆ POLSKI TYTUŁ.
PublikacjaTechnological development in communication creates new possibilities for commercial activity . Each new medium was changing business processes . Internet does the same - implies rapid changes in every stage of commercial activity.The aim of this paper is to show that the Internet and Electronic Commerce are influencing the Small and Medium Enterprises (SMEs) development in Poland. For achieving this another issue had to be under...
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On the Origin of Protein Superfamilies and Superfolds
PublikacjaDistributions of protein families and folds in genomes are highly skewed, having a small number of prevalent superfamiles/superfolds and a large number of families/folds of a small size. Why are the distributions of protein families and folds skewed? Why are there only a limited number of protein families? Here, we employ an information theoretic approach to investigate the protein sequence-structure relationship that leads to...
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Sustainable bioethanol production from first- and second-generation sugar-based feedstocks: Advanced bibliometric analysis
PublikacjaBioethanol is produced from carbohydrate-containing feedstocks through fermentation. Based on a bibliometric review of studies published between 2012 and 2021, we analyzed those on sustainable bioethanol production. The Web of Science main collection yielded 1647 publications, which were analyzed using VOSViewer, CiteSpace, and ArcMap software. More than half of these publications originated from some Asian countries, corresponding to...
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Greening the Innovation Landscape: Leveraging Open Innovation Channels for Sustainable Technology Adoption
PublikacjaOpen innovation offers a great potential for accelerating sustainable technology adoption. This study presents the diverse interaction channels of open innovation and their role in facilitating the development and integration of sustainable solutions. Through an analysis of collaboration mechanisms associated with various open innovation channels in sustainable technology adoption projects, this paper offers a comprehensive framework...
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Development of a Control System for an Autonomous Seaplane
PublikacjaSelf-driving vehicles, also branded as driverless vehicles, autonomous vehicles, or robotic vehicles, are transport systems that can operate with a reduced human impact or even with any human input at all. The content of the present paper is limited to three types of potential applications: Unmanned Surface Vehicles (USVs), Autonomous Underwater Vehicles (AUVs) and Unmanned Aerial Vehicles (UAV). We set our particular focus on...
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Aggregation of imidazoacridinones - spectroscopic and microcalorimetric approach
PublikacjaImidazoacridinones (IA) belong to a group of polycyclic heteroaromatic antitumor compounds. IA create the aggregated form in water solution. Self-association of 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....
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublikacjaIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Development of Strategies for AOB and NOB Competition Supported by Mathematical Modeling in Terms of Successful Deammonification Implementation for Energy-Efficient WWTPs
PublikacjaNovel technologies such as partial nitritation (PN) and partial denitritation (PDN) could be combined with the anammox-based process in order to alleviate energy input. The former combination, also noted as deammonification, has been intensively studied in a frame of lab and full-scale wastewater treatment in order to optimize operational costs and process efficiency. For the deammonification process, key functional microbes include...
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In-Situ Processing of Biocomposites via Reactive Extrusion
PublikacjaLaw regulations, economic and environmental factors are the main causes for the rapidly growing interests in biocomposites’ research, conducted currently in a number of academic and industrial scientific centers. However, weak polymer matrix/filler interactions, common in biocomposites, result in unsatisfactory mechanical properties, which limit their practical applications. From many attempts performed to solve this problem, in-situ...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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A magnetic stir bar sorbent of metal organic frameworks, carbon foam decorated zinc oxide and cryogel to enrich and extract parabens and bisphenols from food samples
PublikacjaA porous composite magnetic stir bar adsorbent was fabricated for the extraction and enrichment of parabens and bisphenols from selected beverage samples. The adsorbent comprised a metal organic framework, carbon foam decorated zinc oxide and magnetic nanoparticles embedded in polyvinyl alcohol cryogel. The porous composite stir bar adsorbent could adsorb parabens and bisphenols via hydrogen bonding, π-π and hydrophobic interactions....
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Low-volume label-free SARS-CoV-2 detection with the microcavity-based optical fiber sensor
PublikacjaAccurate and fast detection of viruses is crucial for controlling outbreaks of many diseases; therefore, to date, numerous sensing systems for their detection have been studied. On top of the performance of these sensing systems, the availability of biorecognition elements specific to especially the new etiological agents is an additional fundamental challenge. Therefore, besides high sensitivity and selectivity, such advantages...
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Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime
PublikacjaThe four most popular water models in molecular dynamics were studied in large-scale simulations of Brownian motion of colloidal particles in optical tweezers and then compared with experimental measurements in the same time scale. We present the most direct comparison of colloidal polystyrene particle diffusion in molecular dynamics simulations and experimental data on the same time scales in the ballistic regime. The four most...
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublikacjaCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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Studying the Effect of Working Conditions on WEDM Machining Performance of Super Alloy Inconel 617
PublikacjaWire electrical discharge machining (WEDM) has been for many years a precise and efficient non-conventional manufacturing solution in various industrial applications, mostly involving the use of hard-to machine materials like, among other, the Inconel super alloys. The focus of the present study is on exploring the effect of selected control parameters, including pulse duration, pulse-off time and the dielectric flow pressure on...
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Limited selectivity of amperometric gas sensors operating in multicomponent gas mixtures and methods of selectivity improvement
PublikacjaIn recent years, smog and poor air quality have became a growing environmental problem. There is a need to continuously monitor the quality of the air. The lack of selectivity is one of the most important problems limiting the use of gas sensors for this purpose. In this study, the selectivity of six amperometric gas sensors is investigated. First, the sensors were calibrated in order to find a correlation between the concentration...
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Vident-real: an intra-oral video dataset for multi-task learning
Dane BadawczeWe introduce Vident-real, a large dataset of 100 video sequences of intra-oral scenes from real conservative dental treatments performed at the Medical University of Gdańsk, Poland. The dataset can be used for multi-task learning methods including:
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On the Correlation of Lignocellulosic Filler Composition with the Performance Properties of Poly(ε-Caprolactone) Based Biocomposites
PublikacjaIn this work, three types of agricultural waste: olive stones (OS), date seed (DS) and wheat bran (WB) were applied as potential lignocellulosic fillers in poly(ε-caprolactone) (PCL) based biocomposites. Differences in composites’ performance were related to the higher content of proteins, noted for WB comparing to other fillers applied, which enhanced plasticization of PCL matrix. The mechanical properties of biocomposites were...
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Influence of operation temperature instability on gas sensor performance
PublikacjaGas sensors based on the semiconducting metal-oxides, such as SnO2, have been found to be very useful for detecting a wide range of gases. The reversible interactions of the gas with the surface of the sensing layer made of semiconducting metal-oxides are responsible for changes of sensor resistance which is usually used as a measure of sensor response. Semiconductor gas sensors are commercially available and applied in numerous...
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Impact of selected drugs and their binary mixtures on the germination of Sorghum bicolor (sorgo) seeds
PublikacjaThe aim of this study was to assess the toxicological potential of binary drug mixtures and individual drugs under different pH conditions with different inorganic ion additions on the germination of Sorghum bicolor (sorgo) seeds. To assess whether the given drug mixtures were more phytotoxic than the individual compounds, concentration addition (CA) and independent action (IA) approaches were applied to estimate the predicted...
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Preparation and evaluation of 1,3-alternate 25,27-bis-(pentafluorobenzyloxy)-26,28-bis-(3-propyloxy)-calix[4]arene-bonded silics gel high performance liquid chromatography stationary phase
PublikacjaA 1,3-alternate 25,27-bis-(pentafluorobenzyloxy)-26,28-bis-(3-propyloxy)-calix[4]arene-bonded silica gel stationary phase (CalixBzF10) was synthesized, structurally characterized, and used as a selector in liquid chromatography. The selectivity study of this phase was done by using fluorine-containing compounds (fluorobenzenes, fluoro-pyrimidine bases), as well as non-fluorinated analytes (non-steroidal anti-inflammatory drugs,...
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Novel binary mixtures of alkanolamine based deep eutectic solvents with water - thermodynamic calculation and correlation of crucial physicochemical properties
PublikacjaThis paper demonstrates the assessment of physicochemical and thermodynamic properties of aqueous solutions of novel deep eutectic solvent (DES) built of tetrabutylammonium chloride and 3-amino-1-propanol or tetrabutylammonium bromide and 3-amino-1-propanol or 2-(methylamino)ethanol or 2-(butylamino)ethanol. Densities, speeds of sound, refractive indices, and viscosities for both pure and aqueous mixtures of DES were investigated...
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Nonlinear Fuzzy Control System for Dissolved Oxygen with Aeration System in Sequencing Batch Reactor
PublikacjaBiological processes at a wastewater treatment plant are complex, multivariable, time varying and nonlinear. Moreover, interactions between the components are very strong. Control of dissolved oxygen is one of most important task at the plant. The level of dissolved oxygen in aerobic tanks has significant influence on behaviour and activity of microorganisms at the plant. Air for aerated tanks is supplied by the aeration system...
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How digital platforms support public values through government-citizen collaboration?
PublikacjaDigital platforms are becoming a popular means of multi-sided interactions between public institutions and their constituents. By enabling information sharing, consultation, and other forms of government-citizen collaboration, they facilitate co-decision-making and co-creation. Although digital platforms are not, the mechanism through which they can create public value, although important for government institutions and citizens...
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Ekspatrianta versus lokalny menedżer, czyli kto powinien kierować filią zagraniczną? = Expatriate versus host country manager - who should run a foreign subsidiary?
PublikacjaThere is ample literature on expatriate management that presents a parent company's point of view on this issue. A consideration of subsidiary management from the local perspective is missing. Relationships with foreigners (including expatriates) are cross-cultural interactions and their effectiveness is affected by cultural factors. Therefore, in this article there are questions that need to be answered:1. What role does an expatriate...
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Smooth start for strategry game development supported by XNA framework
PublikacjaTo attract young and casual game developers, Microsoft created a set of libraries oriented towards easier game development and end-product management. The aim of XNA Framework is to provide a unified software development environment for creating games for both PC's and dedicated platforms like XBOX consoles or mobile phones capable of 3D acceleration. The use of modern, object oriented languages available for the .NET platform...
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The effect of alkyl chain length on synergistic effects in micellization and surface tension reduction in nonionic gemini (S-10) and anionic surfactants mixtures
PublikacjaMixtures of nonionic gemini surfactant S-10 ( α, α'-[2,4,7,9-tetrametyl-5-decyne-4,7-diyl]bis[ω-hydroxy -polioxyetylene] with anionic SRS (sodium alkylsulfates) and SRSO3 (sodium alkylsulfonates) of different alkyl chain length (from 10 to 14 carbon atoms) were investigated. Surface tension measurements were used to find the cmc values and other adsorption parameters. The Clint, Rubingh’s and Rosen theories were applied for evaluation...
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Polycyclic aromatic hydrocarbons as test probes to investigate the retention behavior of 1,3-alternate calix[4]arene silica-bonded stationary phases
PublikacjaA series of polycyclic aromatic hydrocarbons (PAHs) of different size and shape has been used to characterize the chromatographic behavior of five calix[4]arene stationary phases in 1,3-alternate conformation synthesized in our laboratory. The selection of linear, fourring nonlinear, and five-ring PAHs gave data on selectivity changes across range of the calix[4]arene columns. Retention of the 12 aromatic solutes has been evaluated...
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On local buckling of cold-formed channel members
PublikacjaThe paper deals with local buckling of the compressed flanges of cold-formed thin-walled channel beams subjected to pure bending or axially compressed columns. Arbitrarily shaped flanges of open cross-sections and the web-flange interactions are taken into account. Buckling deformation of a beam flange is described by displacement related to torsion of the flange about the line of its connection with the web. Total potential energy...
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Improving Accuracy of Respiratory Rate Estimation by Restoring High Resolution Features With Transformers and Recursive Convolutional Models
PublikacjaNon-contact evaluation of vital signs has been becoming increasingly important, especially in light of the COVID- 19 pandemic, which is causing the whole world to examine people’s interactions in public places at a scale never seen before. However, evaluating one’s vital signs can be a relatively complex procedure, which requires both time and physical contact between examiner and examinee. These re- quirements limit the number...
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Interfacial water controls the process of adsorption of hyperactive antifreeze proteins onto the ice surface
PublikacjaA mechanism of interactions between the ice-binding surface of a hyperactive antifreeze protein molecule and the ice surface is proposed, involving the influence of water present between the two surfaces on the behavior of the approaching molecule. It is demonstrated that the interfacial water, even before its full solidification, can act as a factor that pushes away or pulls nearer the protein molecule to ensure its proper positioning....
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Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublikacjaFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
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The influence of polypropylene-block/graft-polycaprolactone copolymers on melt rheology, morphology, and dielectric properties of polypropylene/polycarbonate blends
PublikacjaThe paper discusses the relationship between rheology and morphology of immiscible polypropylene (matrix))/polycarbonate (dispersed phase) blends compatibilized with novel polypropylene-polycaprolactone block and graft copolymers. Transmission electron microscopy (TEM) experiments revealed uniform droplet morphologies and a reduction of the average size of the dispersed phase upon addition of the compatibilizer. The results suggested...
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Effect of choline chloride based natural deep eutectic solvents on aqueous solubility and thermodynamic properties of acetaminophen
PublikacjaIn this work, natural deep eutectic solvents (NADESs) containing choline chloride as hydrogen bond acceptor and 1,2-propanediol, malic acid and tartaric acid as hydrogen bond donors have been synthesized and applied to enhance the aqueous solubility of model sparingly water-soluble drug – acetaminophen. The results indicate that the greatest impact on the solubility of acetaminophen have deep eutectic solvents based on 1,2-propanediol...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublikacjaGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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Water-Lubricated Journal Bearings Marine Applications, Design, and Operational Problems and Solutions
PublikacjaWater-Lubricated Journal Bearings: Marine Applications, Design, and Operational Problems and Solutions provides cutting-edge design solutions, common problems and methods for avoiding them, and material selection considerations for the use of water-lubricated journal bearings in marine environments. These bearings have many advantages, including the absence of the potential for oil contamination. They are also sensitive, and their...
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Informal Workplace Learning and Employee Development. Growing in the Organizational New Normal
PublikacjaThe new paradigm in employee development assumes that employees should proactively direct their learning and growth. Most workplace learning is basically informal and occurs through daily work routines, peer-to-peer interactions, networking, and typically brings about significant positive outcomes to both individuals and organizations. Yet, workplace learning always occurs in a pre-defined context and this context has recently...