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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical 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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Solvent dependency of carbon dioxide Henry's constant in aqueous solutions of choline chloride-ethylene glycol based deep eutectic solvent
PublicationThe 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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The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide–Doxorubicin Binding to DNA
PublicationMatrix metalloproteinases (MMPs) are extracellular matrix degradation factors, promoting cancer progression. Hence, they could provide an enzyme-assisted delivery of doxorubicin (DOX) in cancer treatment. In the current study, the intercalation process of DOX and tetrapeptide-DOX, the product of the MMPs' cleavage of carrier-linked DOX, into dsDNA was investigated using stationary and time-resolved fluorescence spectroscopy, UV-Vis...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublicationBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Expedited antenna optimization with numerical derivatives and gradient change tracking
PublicationDesign automation has been playing an increasing role in the development of novel antenna structures for various applications. One of its aspects is electromagnetic (EM)-driven design closure, typically applied upon establishing the antenna topology, and aiming at adjustment of geometry parameters to boost the performance figures as much as possible. Parametric optimization is often realized using local methods given usually reasonable...
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Long-Period Gratings and Microcavity In-Line Mach Zehnder Interferometers as Highly Sensitive Optical Fiber Platforms for Bacteria Sensing
PublicationSelected optical fiber sensors offer extraordinary sensitivity to changes in external refractive (RI), which make them promising for label-free biosensing. In this work the most sensitive ones, namely long-period gratings working at (DTP-LPG) and micro-cavity in-line Mach-Zehnder interferometers (µIMZI) are discussed for application in bacteria sensing. We describe their working principles and RI sensitivity when operating in water...
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Two-step mechanism of J-domain action in driving Hsp70 function
PublicationJ-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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Material Parameters Identification of Historic Lighthouse Based on Operational Modal Analysis
PublicationIn the present paper, the identification of the material parameters of a masonry lighthouse is discussed. A fully non-invasive method was selected, in which the material properties were determined via numerical model validation applied to the first pair of natural frequencies and their related mode shapes, determined experimentally. The exact structural model was built by means of the finite element method. To obtain experimental...
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Numerical investigation on behaviour of cylindrical steel tanks during mining tremors and moderate earthquakes
PublicationCylindrical steel tanks are important components of industrial facilities. Their safety becomes a crucial issue since any failure may cause catastrophic consequences. The aim of the paper is to show the results of comprehensive FEM numerical investigation focused on the response of cylindrical steel tanks under mining tremors and moderate earthquakes. The effects of different levels of liquid filling, the influence of non-uniform...
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublicationG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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Rapid Characterization of the Human Breast Milk Lipidome Using a Solid-Phase Microextraction and Liquid Chromatography-Mass Spectrometry-Based Approach.
PublicationHuman 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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Zmiany temperatury wody powierzchniowej na morzach Arktyki Rosyjskiej i ich konsekwencje dla żeglugi na Północnej Drodze Morskiej
PublicationPraca 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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Wybrane metody diagnostyki łożysk silników indukcyjnych oparte o pomiar prądu
PublicationW 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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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-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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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
PublicationIn 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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Mono- and bimetallic nanoparticles decorated KTaO 3 photocatalysts with improved Vis and UV–Vis light activity
PublicationNew 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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Mechanical Behavior of Plastic Strips-Reinforced Expansive Soils Stabilized with Waste Marble Dust
PublicationExpansive 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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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublicationIn 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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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe 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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Acoustic radar employing particle velocity sensors
PublicationA 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
PublicationOne 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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Functional Components Enhancing Clients Attractiveness and Commercial Profitability of Internet Tourist-oriented Commercial Websites
PublicationTourism 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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Pose-Configurable Generic Tracking of Elongated Objects
PublicationElongated objects have various shapes and can shift, rotate, change scale, and be rigid or deform by flexing, articulating, and vibrating, with examples as varied as a glass bottle, a robotic arm, a surgical suture, a finger pair, a tram, and a guitar string. This generally makes tracking of poses of elongated objects very challenging. We describe a unified, configurable framework for tracking the pose of elongated objects, which...
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The reliability of any-hop star networks with respect to failures of communication nodes.
PublicationThis 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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Cost-Efficient Optical Fronthaul Architectures for 5G and Future 6G Networks
PublicationFifth-generation and Beyond (5GB) wireless networks have introduced new centralized architectures such as cloud radio access network (CRAN), which necessitate extremely high-capacity low latency Fronthaul (FH). CRAN has many advantageous features in terms of cost reduction, performance enhancement, ease of deployment, and centralization of network management. Nevertheless, designing and deploying a cost-efficient FH is still a...
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Chemically reduced graphene oxide based aerogels - Insight on the surface and textural functionalities dependent on handling the synthesis factors
PublicationEfficient adjusting of reduced graphene oxide aerogels properties requires information about experimental factor-aerogel property relationship. In this work, the reduced graphene oxide aerogels surface and textural functionalities in relation to precursor concentration, gelation time and hydrogel freezing temperature were studied in detail, with the use of dynamic adsorption method of gaseous organic probes and experimental design....
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The presence of polycyclic aromatic hydrocarbons in disposable baby diapers: A facile determination method via salting-out assisted liquid-liquid extraction coupled with gas chromatography-mass spectrometry
PublicationIn this paper we demonstrate the development of the extraction procedure of polycyclic aromatic hy- drocarbons from baby diapers along with their quantification by gas chromatography-mass spectrometry. Apart from covering plastic foil, disposable baby diapers contain sorbents intended to absorb urine and feces. A hygroscopic, adsorptive, and tough-to-homogenize fibrous sorbent, represents an analytical chal- lenge to analytical...
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Theoretical analysis and experimental tests of tilting pad journal bearings with shoes made of polymer material and low-boiling liquid lubrication
PublicationSelecting the appropriate bearing system for the rotor requires a good knowledge of the available solutions and the operating conditions of the machine. For newly designed machinery operating in adverse conditions, selecting bearings that ensure correct and long-lasting operation can be extremely challenging. Difficulties in- crease when the machine’s operating parameters are beyond the technical capabilities of available technical solutions....
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Electrochemical cobalt oxidation in chloride media
PublicationThe green transition, despite recent advances in cobalt-free battery technologies, is still highly dependent on the availability of critical cobalt-based materials. Consequently, there has been increasing interest towards the development of new methods that maximize critical metals recovery from industrial hydrometallurgical solutions. In the current study, direct anodic oxidation of cobalt species from cobalt chloride solutions...
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Proteases immobilized on nanomaterials for biocatalytic, environmental and biomedical applications: Advantages and drawbacks
PublicationProteases have gained significant scientific and industrial interest due to their unique biocatalytic characteristics and broad-spectrum applications in different industries. The development of robust nanobiocatalytic systems by attaching proteases onto various nanostructured materials as fascinating and novel nanocarriers has demonstrated exceptional biocatalytic performance, substantial stability, and ease of recyclability over...
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Technical and economic conditions of supplying residential consumers with heat from nuclear power plant
PublicationThe reduction of CO2 emission requires technological shift towards carbon-free options. Cogeneration of electricity and heat based on coal and natural gas will experience generation cost increase, if the costs of emissions are imposed on the plant operators. Therefore, nuclear and renewable options should be considered. In this paper, we present the concept of electricity and heat supply system with nuclear condensing turbine adapted...
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Modelling long-term technological transition of Polish power system using MARKAL: Emission trade impact
PublicationThe need for technological transition of electricity production becomes a global problem. However, in coal-dominated Polish power system this need is even more crucial than anywhere, since technical lifetime of the most domestic power plants is ending. In this paper, the impact of the EU Emission Trading Scheme (EU ETS) for CO2 combined with sulfur dioxide (SO2) and nitrogen oxides (NOx) emission trading mechanism on power technology...
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Silicon oxycarbide ceramics as anodes for lithium ion batteries: influence of carbon content on lithium storage capacity
PublicationWe report here on the synthesis and characterization of silicon oxycarbide (SiOC) in view of its application as a potential anode material for Li-ion batteries. SiOC ceramics are obtained by pyrolysis of various polysiloxanes synthesized by sol–gel methods. The polysiloxanes contain different organic groups attached to silicon, which influence the chemical composition and the microstructure of the final ceramic product. The structure...
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The evaluation of eGlasses eye tracking module as an extension for Scratch
PublicationIn this paper we present the possibility of using eGlasses eye tracking module as an extension for Scratch programming tool which is a visual programming language supporting computer skills learning. The main concept behind this project is to setup the interface for rapid interaction design. Eye tracking is a powerful tool for hands free communication but for that requires a dedicated software. This software is rarely tailored...
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The influence of small intestinal mucus structure on particle transport ex vivo
PublicationMucus provides a barrier to bacteria and toxins while allowing nutrient absorption and waste transport. Unlike colonic mucus, small intestinal mucus structure is poorly understood. This study aimed to provide evidence for a continuous, structured mucus layer and assess the diffusion of different sized particles through it. Mucus structure was assessed by histology and immunohistochemistry. Ultra-structure was assessed by scanning...
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The role of atmospheric precipitation in introducing contaminants to the surface waters of the Fuglebekken catchment, Spitsbergen.
PublicationAlthough the Svalbard Archipelago is located at a high latitude, far from potential contaminant sources, it is not free from anthropogenic impact. Towards the Fuglebekken catchment, in the southern part of Spitsbergen, north of Hornsund fjord, contaminants can be transported from mainland pollution sources. In the precipitation and surface water collected in the catchment, the following elements were detected and quantified: Ag,...
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Triplet Formation and Triplet‐Triplet Annihilation Upconversion in Iodine Substituted Non‐Orthogonal BODIPY‐Perylene Dyads
PublicationBODIPY-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...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress 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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Relay-aided Wireless Sensor Network Discovery Algorithm for Dense Industrial IoT utilizing ESPAR Antennas
PublicationIndustrial 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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NUMERICAL ESTIMATION OF HULL HYDRODYNAMIC DERIVATIVES IN SHIP MANOUVERING PREDICTION
PublicationOperating 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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Significant Production of Thermal Energy in Partially Ionized Hyperbolic Tangent Material Based on Ternary Hybrid Nanomaterials
PublicationNanoparticles 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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Theoretical examination of the fracture behavior of BC3 polycrystalline nanosheets: Effect of crack size and temperature
Publication2D 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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Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublicationThe 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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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublicationThe 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
PublicationThe 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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Marine traffic risk modelling – an innovative approach and a case study
PublicationThis 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
PublicationIn 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
PublicationElectromagnetic (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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Biochemical, Structural Analysis, and Docking Studies of Spiropyrazoline Derivatives
PublicationIn 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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Rapid Variable-Resolution Parameter Tuning of Antenna Structures Using Frequency-Based Regularization and Sparse Sensitivity Updates
PublicationGeometry 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...