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Virtual spring damper method for nonholonomic robotic swarm self-organization and leader following
PublikacjaIn this paper, we demonstrate a method for self-organization and leader following of nonholonomic robotic swarm based on spring damper mesh. By self-organization of swarm robots we mean the emergence of order in a swarm as the result of interactions among the single robots. In other words the self-organization of swarm robots mimics some natural behavior of social animals like ants among others. The dynamics of two-wheel robot...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublikacjaAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Reduced model of gyroscopic system
PublikacjaThe paper presents the method of model reduction for the system with gyroscopic interactions. Two methods were used to obtain the approximate discrete models of the continuous structure: the modal decomposition method and the rigid finite element method. The first approach is used for this part of a system for which it is easy to formulate orthogonality conditions, meanwhile the second one is used for other part. The method enables...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublikacjaThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Amphotericin B and Its New Derivatives - Mode of Action
PublikacjaAmphotericin B (AmB) is a well known antifungal and antiprotozoal antibiotic used in the clinic for several decades. Clinicalapplications of AmB, however, are limited by its nephrotoxicity and many other acute side effects which are not acceptable by patientswhen their life is not threaten. In order to improve the therapeutic index of this drug, lipid formulations have been introduced and manyefforts have been made to obtain less...
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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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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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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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Threat intelligence platform for the energy sector
PublikacjaIn recent years, critical infrastructures and power systems in particular have been subjected to sophisticated cyberthreats, including targeted attacks and advanced persistent threats. A promising response to this challenging situation is building up enhanced threat intelligence that interlinks information sharing and fine-grained situation awareness. In this paper a framework which integrates all levels of threat intelligence...
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Determination of Odor Intensity of Binary Gas Mixtures Using Perceptual Models and an Electronic Nose Combined with Fuzzy Logic
PublikacjaMeasurement and monitoring of air quality in terms of odor nuisance is an important problem. From a practical point of view, it would be most valuable to directly link the odor intensity with the results of analytical air monitoring. Such a solution is offered by electronic noses, which thanks to the possibility of holistic analysis of the gas sample, allow estimation of the odor intensity of the gas mixture. The biggest problem...
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Mössbauer Spectroscopy and Magnetoelectric Effect Studies of Multiferroic Ceramics Based on BiFeO<sub>3</sub>
PublikacjaIn this work the results of investigations for (BiFeO3)x(BaTiO3)1-x and Bi1-xNdxFeO3 solid solutions are described. Samples were prepared by the conventional solid-state sintering method. X-ray diffraction, 57Fe Mössbauer spectroscopy, and magnetoelectric effect measurements were applied as complementary methods to determine the structure and magnetic properties of materials. For (BiFeO3)x(BaTiO3)1-x solid solutions Mössbauer...
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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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"Food Oxidants and Antioxidants" Book review
PublikacjaThe book is the 14th title in the CRC series Chemical and Functional Properties of Food Components, edited since 2001 by Zdzisław E. Sikorski. The editor of the book, a professor in the University of Łódź and member of the Polish Academy of Sciences, is an internationally recognized authority in biochemistry and biophysics of reactive oxygen species. In Poland Grzegorz Bartosz has a reputation as the author of his most interesting...
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Wettability of shale rock as an indicator of fracturing fluid composition
PublikacjaShales have become one of the main unconventional gas resources in the world. However, physicochemical properties of rocks are still at the center of research. There have been conducted major researches in wettability of shales by fluids and advances in understanding and control of shale rock wettability. Also influence of interfacial phenomena on a production capacity of reservoirs have been made. The aim of this study is to find...
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Application of passive sampling technique in monitoring research on quality of atmospheric air in the area of Tczew, Poland.
PublikacjaThis paper presents the results of atmospheric air quality research in Tczew (adjacent to the Vistula River) on the content of BTEX compounds. Analytical procedure applied during the sampling of the analytes from the air used the passive sampling technique (diffusive passive sampler, Radiello®). For determination of BTEX compounds in atmospheric air, two-stage thermal desorption technique combined with gas chromatography (TD-GC-FID)...
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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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Drilling couples and refined constitutive equations in the resultant geometrically non-linear theory of elastic shells
PublikacjaIt is well known that distribution of displacements through the shell thickness is non-linear, in general. We introduce a modified polar decomposition of shell deformation gradient and a vector of deviation from the linear displacement distribution. When strains are assumed to be small, this allows one to propose an explicit definition of the drilling couples which is proportional to tangential components of the deviation vector....
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Emotional distress, burnout and sense of safety during the COVID-19 pandemic in teachers after the reopening of schools
PublikacjaThe COVID-19 pandemic is having a significant impact on people's psychological well-being and mental health. This study aimed to identify factors linked to emotional distress, burnout and sense of safety in teachers related to the reopening of Polish schools after lockdown, remote work, and the holiday period between March and August 2020. A total of 1,286 teachers from different educational institutions participated in the...
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Poszukiwanie układów obiektów architektonicznych zgodnych z uwarunkowaniami przyrodniczymi Pojezierza Kaszubskiego. Studium autorskie
PublikacjaStudium docelowych form zamieszkiwania oparto o obserwacje przyrodnicze i próbę ich kulturowej transpozycji poprzez działania artystyczne. Metaforyczne wyobrażenia form zamieszkiwania prezentowane w wielu wariantach ukazują jej adaptowalność do różnorodnych, unikalnych uwarunkowań przyrodniczych. Kontekst stanowi zarówno inspirację jak i zadanie problemowe, na które odpowiedzią jest konkretna forma układu, spasowana do swojego...
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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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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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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublikacjaMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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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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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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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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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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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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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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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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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublikacjaThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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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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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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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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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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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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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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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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Road safety performance indicators and their explanatory value: A critical view based on the experience of Central European countries
PublikacjaCounts of road crashes and their victims represent essential information for road safety practitioners allowing them to analyse their spatial and temporal aspects. However, they cannot provide details on the factors causing road crashes. As a result, various road safety performance indicators (RSPIs) were introduced, making it possible to gather information on the effectiveness of interventions on road safety in given areas. However,...
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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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Recycling of Waste Rubber by Thermo-Mechanical Treatment in a Twin-Screw Extruder
PublikacjaRecycling of waste tires is a significant issue considering both environmental and economic aspects. One of the leading recycling routes is the shredding of tires resulting in the generation of ground tire rubber. This material can be easily introduced into various polymer matrices as a filler, reducing the use of conventionally applied petroleum-based materials. In such cases, it is essential to ensure sufficient interfacial compatibility,...
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Pathogenesis of psoriasis in the “omic” era. Part III. Metabolic disorders, metabolomics, nutrigenomics in psoriasis
PublikacjaPsoriasis is a systemic disease that is strictly connected with metabolic disorders (insulin resistance, atherogenic dyslipidemia, arterial hypertension, and cardiovascular diseases). It occurs more often in patients with a more severe course of the disease. Obesity is specially an independent risk factor and it is associated with a worse treatment outcome because of the high inflammatory activity of visceral fatty tissue and...
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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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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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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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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...