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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublikacjaTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Interictal high-frequency oscillations in focal human epilepsy
PublikacjaPURPOSE OF REVIEW: Localization of focal epileptic brain is critical for successful epilepsy surgery and focal brain stimulation. Despite significant progress, roughly half of all patients undergoing focal surgical resection, and most patients receiving focal electrical stimulation, are not seizure free. There is intense interest in high-frequency oscillations (HFOs) recorded with intracranial electroencephalography as potential...
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Rapid Characterization of the Human Breast Milk Lipidome Using a Solid-Phase Microextraction and Liquid Chromatography-Mass Spectrometry-Based Approach.
PublikacjaHuman breast milk (HBM) is a biofluid consisting of various biomolecules such as proteins, lipids, carbohydrates, minerals and bioactive substances. Due to its unique and complex composition, HBM provides not only nutritional components required for the growth of the infant, but also additional protection against infections. Global insight into the composition of HBM is crucial to understanding the health benefits infants receive...
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Wybrane metody diagnostyki łożysk silników indukcyjnych oparte o pomiar prądu
PublikacjaW artykule zawarto przegląd wybranych metod diagnostyki łożysk silnika indukcyjnego, bazujących na pomiarach prądu zasilającego. Jedno z nowych rozwiązań przetwarzania sygnałów zostało zaadaptowane przez autorów do stosowanego przez nich systemu diagnostycznego. Wyniki wstępnych badań symulacyjnych zweryfikowanych badaniami na rzeczywistym obiekcie wskazują, że rozwiązanie to ułatwia diagnozowanie. Autorzy zamierzają prowadzić...
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Zmiany temperatury wody powierzchniowej na morzach Arktyki Rosyjskiej i ich konsekwencje dla żeglugi na Północnej Drodze Morskiej
PublikacjaPraca omawia zmiany średniej miesięcznej temperatury wody powierzchniowej na morzach Arktyki Rosyjskiej w latach 1979-2016. Stwierdzono, że w badanym okresie następował powolny wzrost SST. Jednakże tylko na Morzu Barentsa był on istotny statystycznie we wszystkich miesiącach roku (poza marcem w SE części tego morza), a w zachodniej części Morza Czukockiego w okresie od czerwca do grudnia. W dalszym ciągu na wszystkich morzach,...
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Selectivity Tuning by Natural Deep Eutectic Solvents (NADESs) for Extraction of Bioactive Compounds from Cytinus hypocistis—Studies of Antioxidative, Enzyme-Inhibitive Properties and LC-MS Profiles
PublikacjaIn the present study, the extracts of Cytinus hypocistis (L.) L using both traditional solvents (hexane, ethyl acetate, dichloromethane, ethanol, ethanol/water, and water) and natural deep eutectic solvents (NADESs) were investigated in terms of their total polyphenolic contents and antioxidant and enzyme-inhibitive properties. The extracts were found to possess total phenolic and total flavonoid contents in the ranges of 26.47–186.13...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublikacjaN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Mono- and bimetallic nanoparticles decorated KTaO 3 photocatalysts with improved Vis and UV–Vis light activity
PublikacjaNew mono- and bimetallic nanoparticle-decorated perovskite-type KTaO3 photocatalysts were successfully synthesized by hydrothermal reaction followed by photodeposition of MNPs/BNPs. The effect of noble metal type, amount of metal precursor as well as photoreduction method on the physicochemical and photocatalytic properties of MNPs- and BNPs-KTaO3 have been investigated. Photocatalytic activity under Vis light irradiation was estimated...
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Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublikacjaThe use of carbon nanotubes as anticancer drug delivery cargo systems is a promising modality as they are able to perforate cellular membranes and transport the carried therapeutic molecules into the cellular components. Our work describes the encapsulation process of a common anticancer drug, Isatin (1H-indole-2,3-dione) as a guest molecule, in a capped single-walled carbon nanotube (SWCNT) host with chirality of (10,10). The...
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Marine traffic risk modelling – an innovative approach and a case study
PublikacjaThis paper presents a model to analyse the risk of two common marine accidents: collision and grounding. Attention is focused on oil tankers since they pose the highest environmental risks. A case study in selected areas of the Gulf of Finland in ice-free conditions is presented. The model utilizes a formula for risk calculation that considers both the probability of an unwanted event and its consequences. The model can be decomposed...
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Material Design and Optimisation of Electrochemical Li-Ion Storage Properties of Ternary Silicon Oxycarbide/Graphite/Tin Nanocomposites
PublikacjaIn this work, we present the characterization and electrochemical performance of various ternary silicon oxycarbide/graphite/tin (SiOC/C/Sn) nanocomposites as anodes for lithium-ion batteries. In binary SiOC/Sn composites, tin nanoparticles may be produced in situ via carbothermal reduction of SnO2 to metallic Sn, which consumes free carbon from the SiOC ceramic phase, thereby limiting the carbon content in the final ceramic nanocomposite....
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Reduced-Cost Two-Level Surrogate Antenna Modeling using Domain Confinement and Response Features
PublikacjaElectromagnetic (EM) simulation tools have become indispensable in the design of contemporary antennas. Still, the major setback of EM-driven design is the associated computational overhead. This is because a single full-wave simulation may take from dozens of seconds up to several hours, thus, the cost of solving design tasks that involve multiple EM analyses may turn unmanageable. This is where faster system representations (surrogates)...
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Rapid Variable-Resolution Parameter Tuning of Antenna Structures Using Frequency-Based Regularization and Sparse Sensitivity Updates
PublikacjaGeometry parameter tuning is an inherent part of antenna design process. While most often performed in a local sense, it still entails considerable computational expenses when carried out at the level of full-wave electromagnetic (EM) simulation models. Moreover, the optimization outcome may be impaired if good initial design is not available. This paper proposes a novel approach to fast and improved-reliability gradient-based...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Functionalized Peptide Fibrils as a Scaffold for Active Substances in Wound Healing
PublikacjaTechnological developments in the field of biologically active peptide applications in medicine have increased the need for new methods for peptide delivery. The disadvantage of peptides as drugs is their low biological stability. Recently, great attention has been paid to self-assembling peptides that can form fibrils. Such a formulation makes bioactive peptides more resistant to enzymatic degradation and druggable. Peptide fibrils...
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Ultrasensitive electrochemical determination of the cancer biomarker protein sPD-L1 based on a BMS-8-modified gold electrode
PublikacjaThis work describes the modification of a gold electrode with the BMS-8 compound that interacts with the Programmed Death-Ligand 1 (PD-L1), an immune checkpoint protein. The results show that we can confirm the presence of the sPD-L1 in the concentration range of 10−18 to 10−8 M using electrochemical impedance spectroscopy (EIS) with a limit of detection (LOD) of 1.87 × 10−14 M for PD-L1 (S/N = 3.3) and at a concentration of 10−14...
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Relay-aided Wireless Sensor Network Discovery Algorithm for Dense Industrial IoT utilizing ESPAR Antennas
PublikacjaIndustrial Internet of Things (IIoT) applicationsrequire reliable and efficient wireless communication. Assumingdense Wireless Sensor Networks (WSNs) operating in a harshenvironment, a concept of a Time Division Multiple Access(TDMA) based WSN enriched with Electronically SteerableParasitic Array Radiator (ESPAR) antennas is proposed andexamined in this work. The utilized...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublikacjaA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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On-line Search in Two-Dimensional Environment
PublikacjaWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. We require that the strategy is connected and monotone, that is, at each point of the execution the part of the graph...
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A Compact Circularly Polarized Antenna With Directional Pattern for Wearable Off-Body Communications
PublikacjaThis letter presents a geometrically simple and compact circularly polarized (CP) antenna with unidirectional radiation characteristics for off-body communications. The proposed antenna is based on a microstrip line monopole extension from a coplanar waveguide (CPW) and a protruded stub from one side of the coplanar ground plane along the length of the monopole. The orthogonal components of equal amplitudes required for circular...
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A shear stress micromodel of urinary tract infection by the Escherichia coli producing Dr adhesin
PublikacjaIn this study, we established a dynamic micromodel of urinary tract infection to analyze the impact of UT-segment-specific urinary outflow on the persistence of E. coli colonization. We found that the adherence of Dr+ E. coli to bladder T24 transitional cells and type IV collagen is maximal at lowest shear stress and is reduced by any increase in flow velocity. The analyzed adherence was effective in the whole spectrum of physiological...
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Electrochemistry from first-principles in the grand canonical ensemble
PublikacjaProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Theoretical examination of the fracture behavior of BC3 polycrystalline nanosheets: Effect of crack size and temperature
Publikacja2D carbon graphene nanostructures are elements of advanced materials and systems. This theoretical survey provides explanation to the mechanical and fracture behavior of mono- and polycrystalline BC3 nanosheets (denoted as MC- and PCBC3NS, respectively) as a function of temperature and the type of crack defects. The mechanical performance of PCBC3NS at elevated temperatures was monitored varying the number of grain boundaries (the...
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NUMERICAL ESTIMATION OF HULL HYDRODYNAMIC DERIVATIVES IN SHIP MANOUVERING PREDICTION
PublikacjaOperating in crowded waterways pose a risk of accidents and disasters due to maneuvering limitations of the ship. In order to predict ship’s maneuvering characteristics at the design stage, model tests are often executed as the most accurate prediction tool. Two approaches can be distinguished here: free running model tests and numerical simulations based on planar motion model with the use of hydrodynamic derivatives obtained...
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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublikacjaThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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An Impact Analysis of Artificial Light at Night (ALAN) on Bats. A Case Study of the Historic Monument and Natura 2000 Wisłoujście Fortress in Gdansk, Poland
PublikacjaThe artificial light at night (ALAN) present in many cities and towns has a negative impact on numerous organisms that live alongside humans, including bats. Therefore, we investigated if the artificial illumination of the historic Wisłoujście Fortress in Gdańsk, Poland (part of the Natura 2000 network), during nighttime events, which included an outdoor electronic dance music (EDM) festival, might be responsible for increased...
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Significant Production of Thermal Energy in Partially Ionized Hyperbolic Tangent Material Based on Ternary Hybrid Nanomaterials
PublikacjaNanoparticles are frequently used to enhance the thermal performance of numerous materials. This study has many practical applications for activities that have to minimize losses of energy due to several impacts. This study investigates the inclusion of ternary hybrid nanoparticles in a partially ionized hyperbolic tangent liquid passed over a stretched melting surface. The fluid motion equation is presented by considering the...
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The Reactivity of Phosphanylphosphinidene Complexes of Transition Metals Toward Terminal Dihaloalkanes
PublikacjaThe reactivities of phosphanylphosphinidene complexes [(DippN)2W(Cl)(η2-P−PtBu2)]− (1), [(pTol3P)2Pt(η2- P=PtBu2)] (2), and [(dppe)Pt(η2-P=PtBu2)] (3) toward dihaloalkanes and methyl iodide were investigated. The reactions of the anionic tungsten complex (1) with stochiometric Br(CH2)nBr (n = 3, 4, 6) led to the formation of neutral complexes with a tBu2PP(CH2)3Br ligand or neutral dinuclear complexes with unusual tetradentate...
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Relationship between conversion rate of glucosinolates to isothiocyanates/indoles and genotoxicity of individual parts of Brassica vegetables
PublikacjaThe studies on the characterisation of glucosinolates (GLs) and their breakdown products in Brassicaceae species focus mainly on the edible parts. However, other products, e.g., dietary supplements, may be produced also from non-edible parts such as roots or early forms of growth: seeds or sprouts. Biological activity of these products depends on quantitative and qualitative GL composition, but is also strictly determined by GL...
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Thermodynamic interpretation and prediction of CO2 solubility in imidazolium ionic liquids based on regular solution theory
PublikacjaRegular solution theory (RST) is the most popular model for the interpretation of the interaction between CO2 and ionic liquids. In the present work, the parameters of this model were determined for the CO2 absorption in eleven imidazolium ionic liquids. The y-intercept (A) of the RST model for the investigated imidazolium liquids increases with increasing temperature whereas the slope (B) remains constant. The values of RST parameters...
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Review of methods for assessing traffic conditions on basic motorway and expressway sections
PublikacjaMotorways and expressways are the core of each country’s road system. Road planning, design and management requires tools to ensure that roads have the right geometry, traffic layout and equipment. These include methods for capacity estimation and assessing traffic conditions. Because the paper focusses on the basic segments of motorways and expressways (sections located between interchanges and outside of their influence), its...
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Electrodes criticality: the impact of CRMs in the leachate electrochemical oxidation
Publikacja. Landfill leachate possesses high concentrations of ammonia, micropollutants, and heavy metals, and are characterised for low biodegradability. For this reason, conventional treatment technologies may result ineffective for complete pollutant removal. Electrochemical oxidation allows most of the of recalcitrant pollutants to be oxidised effectively within an easy operational and acceptable retention time, without the need to provide...
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Characterization of Defects Inside the Cable Dielectric With Partial Discharge Modeling
PublikacjaThe continuous monitoring of power system devices is an important step toward keeping such capital assets safe. Partial discharge (PD)-based measurement tools provide a reliable and accurate condition assessment of power system insulations. It is very common that voids or cavities exist in every solid dielectric insulation medium. In this article, different voids are modeled and analyzed using an advanced finite element (FE)-based...
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Optimization of the distance between the vertical plates in the convective air heat exchanger
PublikacjaThis paper examines the influence of the distance between vertical plates on the intensity of free convective heat transfer along with the optimization of this distance. Experimental tests were carried out for one model channel of such an heat exchanger with widths , 0.085 and 0.18 m. This channel, open at the top and sides, was formed by two isothermal symmetrically heated parallel vertical plates of dimensions m and m. The influence...
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublikacjaF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Impedimetric sensing of α-amino acids driven by micro-patterned 1,8-Diazafluoren-9-one into titania- boron- doped maze-like nanocarbons
PublikacjaThe development of impedimetric, non-faradaic label-free sensors for the detection of α-amino acids constitutes a trailblazing technology for the fast and inexpensive quantification of such biomarkers. Since α-amino acids, such as glycine and sarcosine, are basic constituents in biological processes, a variation in their concentration may be an indicator of cardiovascular diseases and metabolic disorders or neurological conditions....
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Cellulose and its derivatives, coffee grounds, and cross-linked, β-cyclodextrin in the race for the highest sorption capacity of cationic dyes in accordance with the principles of sustainable development
PublikacjaIn this study, seven different materials were analyzed and includes coffee grounds (CG), two types of cellulose (CGC and CC), two types of modified cellulose (CT and CTCD), and cross-linked β-cyclodextrin (CD-1 and CD-2) were tested as adsorbents for the removal of dyes from the wastewater. The composition, morphology, and presence of functional groups in the obtained sorption materials were characterized by elemental analysis,...
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Biochemical, Structural Analysis, and Docking Studies of Spiropyrazoline Derivatives
PublikacjaIn this study, we evaluated the antiproliferative potential, DNA damage, crystal struc‐ tures, and docking calculation of two spiropyrazoline derivatives. The main focus of the research was to evaluate the antiproliferative potential of synthesized compounds towards eight cancer cell lines. Compound I demonstrated promising antiproliferative properties, especially toward the HL60 cell line, for which IC50 was equal to 9.4 μM/L....
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Light4Health eLearning Course: health research for interior lighting design. Re-thinking design approaches based on science
PublikacjaThis paper presents the results of 'Light4Health' (L4H), a three-year EU Erasmus+ Strategic Partnership grant project (2019-2021), which investigated, systematized and taught health-related research on the impact of natural and artificial light on human health and well-being relevant to indoor lighting design. The objective was to re-think evidence-based lighting design approaches for residential, working/educational, and healthcare...
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Mechanical Behavior of Plastic Strips-Reinforced Expansive Soils Stabilized with Waste Marble Dust
PublikacjaExpansive soil needs to undergo treatment to be used as safe foundation soil for roads and buildings. From an environmental conservation and economical point of view, the usage of agricultural and industrial wastes is the best option. In this study, the effects of utilizing plastic waste and marble waste dust on the engineering properties of expansive soils were examined. Various laboratory tests were carried out on sampled expansive...
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Real-time isothermal DNA amplification monitoring in picoliter volumes using an optical fiber sensor
PublikacjaRolling circle amplification (RCA) of DNA can be considered as a great alternative to the gold standard polymerase chain reaction (PCR), especially during this pandemic period, where rapid, sensitive, and reliable test results for hundreds of thousands of samples are required daily. This work presents the first research to date on direct, real-time and label-free isothermal DNA amplification monitoring using a microcavity in-line...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublikacjaThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Mechanical Behavior of Plastic Strips-Reinforced Expansive Soils Stabilized with Waste Marble Dust
PublikacjaExpansive soil needs to undergo treatment to be used as safe foundation soil for roads and buildings. From environmental conservation and economical point of view, the usage of agricultural and industrial wastes is the best option. In this study, the effects of utilizing plastic waste and marble waste dust on the engineering properties of expansive soils were examined. Various laboratory tests were carried out on sampled expansive...
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Tailoring of SiOC composition as a way to better performing anodes for Li-ion batteries
PublikacjaPolymer derived silicon oxycarbide (SiOC) ceramics are investigated as potential anodes for lithiumion batteries. Different SiOC ceramics are prepared by pyrolysis (1000 °C and 1400 °C under controlled argon atmosphere) of polysiloxanes ceramic precursors. Preceramic polymers are synthesized using the sol–gel method. Phenyltriethoxysilane (PhTES) and methyltriethoxysilane (MTES) have been used as starting precursors and mixed with...
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublikacjaIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Functional Components Enhancing Clients Attractiveness and Commercial Profitability of Internet Tourist-oriented Commercial Websites
PublikacjaTourism constitutes an important branch of economy in Mediterranean countries. Great number of people spend or are planning to spend their free time in the Mediterranean area. Extensive rentals of private apartments or houses for individual persons and their families as well as all kinds of services provided for tourists, in result, generate substantial economical incomes. Variety and diversity of offers of private accommodations...
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Acoustic radar employing particle velocity sensors
PublikacjaA concept, practical realization and applications of a passive acoustic radar to automatic localization, tracking of sound sources were presented in the paper. The device consist of the new kind of multichannel miniature sound intensity sensors and a group of digital signal processing algorithms. Contrary to active radars, it does not emit the scanning beam but after receiving surroundings sounds it provide information about the...
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Membrane-SPME the best 'green' sample preparation technique for the gas chromatographic determination polar organic pollutants in polar media
PublikacjaOne of the most popular technique for sample preparation, which fulfill requirements of green analytical chemistry, is solid phase microextraction (SPME). Because of the undoubted advantages of SPME technique, solvent-free character of the extraction process and the enormous potential in analytical practice, a series of studies has been undertaken to develop new technical solutions, where improving the sensitivity and the extraction...
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The reliability of any-hop star networks with respect to failures of communication nodes.
PublikacjaThis paper investigated the reliability of any-hop star networks. The any-hop star topology is used in centralized computer networks. We will assume that the all nodes fail independently, links are failure-free. Following measures of network reliability are assumed: the expected number of nodes, which can communicate with the central node; the expected number of node pairs, which are connected by a path through the central node;...
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Triplet Formation and Triplet‐Triplet Annihilation Upconversion in Iodine Substituted Non‐Orthogonal BODIPY‐Perylene Dyads
PublikacjaBODIPY-perylene dyads have emerged as useful metal free sensitizers for triplet-triplet annihilation upconversion (TTAUC), these dyads are capable of efficient triplet generation via spinorbit charge transfer intersystem crossing (SOCT-ISC). This important route to triplet formation requires dyads in which two moieties are oriented perpendicular to each other. In this contribution, we give a deeper insight on the behavior of recently...