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Shallow Water Equations as a Mathematical Model of Whitewater Course Hydrodynamics
PublicationPredicting the positions of local hydraulic phenomena, as well as accurately esti-mating the depth and velocity of the water flow are necessary to correctly config-ure a whitewater canoeing course. Currently, a laboratory and full 3D CFD model-ing are typically used in the design process to meet these needs. The article points to another possibility which can be useful at the preliminary stage of the design. The authors show that...
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Numerical investigation on dynamic performance of a multi-storey steel structure model and comparison with experimental results
PublicationShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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A case study of odour nuisance evaluation in the context of integrated urban planning
PublicationOdour nuisance poses a serious problem in many urban areas, yet its evaluation and mitigation is often omitted in the urban planning process. By identifying its range and spatio-temporal variations, it could be taken into consideration by planners in urban development strategies and land use decisions. The aim of the study was to present the application of odour evaluation techniques in the improvement of the quality of life in...
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Going all in or spreading your bet: a configurational perspective on open innovation interaction channels in production sectors
PublicationUsing different interaction channels within open innovation partnerships holds the potential to enhance the chance of success in production sectors. However, our comprehension of how open innovation partnerships are affected by varying combinations of interaction channels, and how this corelates with their level of open innovation output, remains limited. There are discrepancies in the current literature regarding the individual...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublicationOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Effect of the Cavitation Generation Unit Structure on the Performance of an Advanced Hydrodynamic Cavitation Reactor for Process Intensifications
PublicationThe advanced rotational hydrodynamic cavitation reactors (ARHCRs) that appeared recently have shown obvious advantages compared with conventional devices in process intensifications. In ARHCRs, the cavitation generation unit (CGU) located on the rotor and stator basically determines their performance. For the first time, the present study investigated the effect of the CGU structure on the performance of a representative ARHCR...
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Numerical investigation on distribution characteristics of oxidation air in a lime slurry desulfurization system with rotary jet agitators
PublicationRotary jet agitator is an effective device for mixing, dispersing, dissolving, and suspending dispersed phases in liquid, and is particularly advantageous to the homogenization of oxygen-enriched air within the lime slurry desulfurization system. The distribution of oxygen-enriched air in agitators is vital for the process of gypsum crystallization and the homogeneous and sufficient oxygen-enriched air can promote the formation...
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Deep eutectic solvents – Ideal solution for clean air or hidden danger?
PublicationThe industrial sector is one of the fastest-growing sources of greenhouse gases, due to its excessive energy consumption to meet the rapidly growing demand for energy-intensive products. The use of deep eutectic solvents (DESs) has been studied extensively in order to cope with these harmful gases, but their usage can be an issue in respect to ecological reasons. Do deep eutectic solvents harm the atmosphere? Yes, these solvents...
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Numerical Investigation on Dynamic Performance of a Multi-storey Steel Structure Model and Comparison with Experimental Results
PublicationShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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Superconductivity in LiGa2Ir Heusler type compound with VEC = 16
PublicationPolycrystalline LiGa2Ir has been prepared by a solid state reaction method. A Rietveld refnement of powder x-ray difraction data confrms a previously reported Heusler-type crystal structure (space group Fm-3m, No. 225) with lattice parameter a= 6.0322(1) Å. The normal and superconducting state properties were studied by magnetic susceptibility, heat capacity, and electrical resistivity techniques. A bulk superconductivity with...
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DETERMINATION OF THE AERODYNAMIC DRAG OF PNEUMATIC LIFE RAFTS AS A FACTOR FOR INCREASING THE RELIABILITY OF RESCUE OPERATIONS
PublicationEnsuring the safety of ship crews at sea is of the utmost importance. Life rafts are one of the basic components of any seagoing vessel and ensuring their stability is an important component of maritime research. This study concerns the determination of the aerodynamic drag coefficients of pneumatic life rafts in a full range of wind speed and directions. The drag coefficients are based on full-scale experimental studies and numerical...
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Method of estimating the rolling resistance coefficient of vehicle tyre using the roller dynamometer
PublicationThe tendency in the past few years has been to introduce tyres with lower rolling resistance coefficients to the market. This paper presents a mathematical method for determining the rolling resistance coefficients variation depending on the speed. The method uses power balance which results from automobile dynamics while rolling on chassis dynamometer. The rolling resistance coefficients of tyres obtained through ‘drum test method’,...
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Adsorption onto zeolites: molecular perspective
Publication2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Modeling of Electrified Transportation Systems Featuring Multiple Vehicles and Complex Power Supply Layout
PublicationThe paper proposes a novel approach to modeling electrified transportation systems. The proposed solution reflects the mechanical dynamics of vehicles as well as the distribution and losses of electric supply. Moreover, energy conversion losses between the mechanical and electrical subsystems and their bilateral influences are included. Such a complete model makes it possible to replicate, e.g., the impact of voltage drops on vehicle...
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Magnetically sensitive fiber probe with nitrogen-vacancy center nanodiamonds integrated in a suspended core
PublicationEfficient collection of photoluminescence arising from spin dynamics of nitrogen vacancy (NV) centers in diamond is important for practical applications involving precise magnetic field or temperature mapping. These goals may be realized by the integration of nanodiamond particles with optical fibers and volumetric doping of the particles alongside the fiber core. That approach combines the advantages of robust axial fixation of...
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Effects of Noncontact Shoulder Tool Velocities on Friction Stir Joining of Polyamide 6 (PA6)
PublicationIn this study, the effects of the traverse and rotational velocities of the noncontact shoulder tool on the heat generation and heated flux during the friction stir joining of high-density polyamide 6 (PA6) polymer were investigated. The computational fluid dynamics (CFD) method was employed to simulate the thermomechanical phenomena during the friction stir joining (FSJ) process of PA6. A developed model was used to consider the...
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Deformable model of a butterfly in motion on the example of Attacus atlas
PublicationInsect wings can undergo significant chordwise (camber) as well as spanwise (twist) deformation during flapping flight but the effect of these deformations is not well understood. The shape and size of butterfly wings leads to particularly large wing deformations, making them an ideal test case for investigation of these effects. High-speed videogrammetry was used to capture the wing kinematics and deformations. The movements of...
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Bacterial community succession in an Arctic lake–stream system (Brattegg Valley, SW Spitsbergen)
PublicationThe factors affecting prokaryotic and virus structure dynamics and bacterial commu-nity composition (BCC) in aquatic habitats along a ca. 1500 m of the Brattegg Valley lake–stream system (SW Spitsbergen) composed of three postglacial lakes created by Brattegg Glacier meltwater were examined. A high number of small-volume prokaryotic cells were found in the recently-formed, deep, upper,...
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MODELOWANIE TURBINY WIATROWEJ Z DWOMA PRZECIWBIEŻNIE OBRACAJĄCYMI SIĘ WIRNIKAMI
PublicationW artykule przedstawiono sposoby modelowania dwuwirnikowej turbiny wiatrowej z wykorzystaniem technik Obliczeniowej Mechaniki Płynów. Omówiono uproszczone metody modelowania Actuator Disc i Actuator Line Method oraz aspekty związane z dokładnym odwzorowaniem turbiny na siatce obliczeniowej. Zaprezentowano przykładowe wyniki obliczeń turbiny dwuwirnikowej złożonej z wirników NREL o mocy nominalnej 5 MW każdy. Do wykonania badań...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Unique agreement of experimental and computational infrared spectroscopy: a case study of lithium bromide solvation in an important electrochemical solvent
PublicationInfrared (IR) spectroscopy is a widely used and invaluable tool in the studies of solvation phenomena in electrolyte solutions. Using state-of-the-art chemometric analysis of a spectral series measured in a concentration-dependent manner, the spectrum of the solute-affected solvent can be extracted, providing a detailed view of the structural and energetic states of the solvent molecules influenced by the solute. Concurrently,...
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Processing of point cloud data retrieved from terrestrial laser scanning for structural modeling by Finite Element Method
PublicationFinite Element Method is one most popular contemporary method of strength analysis. The method is an advanced method for solving differential equations, based on discretization, which means that area is divided into finite elements. Each finite element has a solution of the equation approximated by specific functions and performing the actual calculations only for nodes of this division. Finite Element Method is widely used in...
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublicationInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Quantum structure in competing lizard communities
PublicationAlmost two decades of research on applications of the mathematical formalism of quantum theory as a modeling tool in domains different from the micro-world has given rise to many successful applications in situations related to human behavior and thought, more specifically in cognitive processes of decision-making and the ways concepts are combined into sentences. In this article, we extend this approach to animal behavior, showing...
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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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The experimental identification of the dynamic coefficients of two hydrodynamic journal bearings operating at constant rotational speed and under nonlinear conditions.
PublicationHydrodynamic bearings are commonly used in ship propulsion systems. Typically, they are calculated using numerical or experimental methods. This paper presents an experimental study through which it has been possible to estimate 24 dynamic coefficients of two hydrodynamic slide bearings operating under nonlinear conditions. During the investigation, bearing mass coefficients are identified by means of a newly developed algorithm....
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublicationHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
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Multi-fidelity aerodynamic design trade-off exploration using point-by-point Pareto set identification
PublicationAerodynamic design is inherently a multi-objective optimization (MOO) problem. Determining the best possible trade-offs between conflicting aerodynamic objectives can be computationally challenging when carried out directly at the level of high-fidelity computational fluid dynamics simulations. This paper presents a computationally cheap methodology for exploration of aerodynamic design trade-offs. In particular, point-by-point...
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Chosen aspects of muscle biomechanics
PublicationConsidering a striated skeletal muscle as a different properties mechanical system, one can understand series of important phenomena happening in a real muscle phenomenon of muscle: 1) force delivery to skeletal apparatus through tendons; 2) changing of exerted muscle belly mass distribution with regards to skeletal apparatus; 3) beginning drop of muscle force. A disregard of first phenomenon causes an impossibility to explain...
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Identification of Emotional States Using Phantom Miro M310 Camera
PublicationThe purpose of this paper is to present the possibilities associated with the use of remote sensing methods in identifying human emotional states, and to present the results of the research conducted by the authors in this field. The studies presented involved the use of advanced image analysis to identify areas on the human face that change their activity along with emotional expression. Most of the research carried out in laboratories...
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Modelling of wastewater treatment plant for monitoring and control purposes by state - space wavelet networks
PublicationMost of industrial processes are nonlinear, not stationary, and dynamical with at least few different time scales in their internal dynamics and hardly measured states. A biological wastewater treatment plant falls into this category. The paper considers modelling such processes for monitorning and control purposes by using State - Space Wavelet Neural Networks (SSWN). The modelling method is illustrated based on bioreactors of...
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Holistic collision avoidance decision support system for watchkeeping deck officers
PublicationThe paper presents a 3-stage synthesis-based Decision Support System for watchkeeping deck officers. Its functional scope covers conflict detection, maneuver selection, and maneuver execution, all phases supplemented by collision alerts. First, a customized elliptic ship domain is used for checking if both OS and TS will have enough free space. A survey-based navigators’ declarative OS arena is then used to determine the time at...
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublicationNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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Evaluation of respiration capacity of VF in hybrid constructed wetland systems.
PublicationThree VF-beds operating in hybrid constructed wetlands in configuration HF-VF-HF were analysed. These hybrid constructed wetlands provide the II stage biological treatment. They are located in Pommerania voivodship, in Sarbsk, Wiklino and Wieszyno, and their capacities are 29.5, 14.2 and 21.6 m3/d, respectively. The article focuses on performance and operation of VF-CW plants during one year. Based on removal of organic matter...
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Laser-Induced Graphitization of Polydopamine on Titania Nanotubes
PublicationSince the discovery of laser-induced graphite/graphene, there has been a notable surge of scientific interest in advancing diverse methodologies for their synthesis and applications. This study focuses on the utilization of a pulsed Nd:YAG laser to achieve graphitization of polydopamine (PDA) deposited on the surface of titania nanotubes. The partial graphitization is corroborated through Raman and XPS spectroscopies and supported...
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublicationIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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On analysis of nanocomposite conical structures
PublicationThis research examines the analysis of rotating truncated conical baskets reinforced by carbon nanotubes around the two independent axes. A time-dependent analysis is considered, and the nonlinear dynamic governing equations are extracted using the energy method. Carbon nanotubes (CNTs) reinforced the conical basket, and the structure's mechanical properties are determined based on the several distributions of carbon nanotubes....
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Aerodynamic Shape Optimization for Delaying Dynamic Stall of Airfoils by Regression Kriging
PublicationThe phenomenon of dynamic stall produce adverse aerodynamic loading which can adversely affect the structural strength and life of aerodynamic systems. Aerodynamic shape optimization (ASO) provides an effective approach for delaying and mitigating dynamic stall characteristics without the addition of auxiliary system. ASO, however, requires multiple evaluations time-consuming computational fluid dynamics models. Metamodel-based...
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Investigating the disease- modifying properties of sclerotiorin in Alzheimer's therapy using acetylcholinesterase inhibition
PublicationAlzheimer's disease (AD) is a progressive neurodegenerative disorder caused due to the damage and loss of neurons in specific brain regions. It is the most common form of dementia observed in older people. The symptoms start with memory loss and gradually cause the inability to speak and do day-to-day activities. The cost of caring for those affected individuals is huge and is probably beyond most developing countries capability....
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Network oscillations modulate interictal epileptiform spike rate during human memory
PublicationEleven patients being evaluated with intracranial electroencephalography for medically resistant temporal lobe epilepsy participated in a visual recognition memory task. Interictal epileptiform spikes were manually marked and their rate of occurrence compared between baseline and three 2 s periods spanning a 6 s viewing period. During successful, but not unsuccessful, encoding of the images there was a significant reduction in...
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PRINCIPLES OF ARTIFICIAL INTELLIGENCE APPLICATION IN CONTROL OF THE ENTERPRISE
PublicationThe implementation of the tasks of evaluating historical financial information, the control or audit of business activities are based primarily on professional judgments about the object of study of a professional accountant or auditor. Their findings are drawn on the basis of the study of documents, the use of audit evidence, risk assessment, etc. There is always a probability (and rather high) that professional judgment will...
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Detection of anomalies in bee colony using transitioning state and contrastive autoencoders
PublicationHoneybees plays vital role for the environmental sustainability and overall agricultural economy. Assisting bee colonies within their proper functioning brings the attention of researchers around the world. Electronics systems and machine learning algorithms are being developed for classifying specific undesirable bee behaviors in order to alert about upcoming substantial losses. However, classifiers could be impaired when used...
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A New Approach to Assess Quality of Motion in Functional Task of Upper Limb in Duchenne Muscular Dystrophy
Publication(1) Background: This study presents a new method for the motion quantitative analysis of Duchenne muscular dystrophy patients (DMD) performing functional tasks in clinical conditions. (2) Methods: An experimental study was designed to define how different levels of external mass (light and heavy) influence the performance of the upper limbs of a tested DMD and reference subject (RS) during horizontal movements (level of the waist)...
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Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail
PublicationAmphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich)...
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The Urban Mentoring as a New Method of Participatory Urban Planning in Poland
PublicationTwenty-five years after the return of democracy and the beginning of basing the country's economy on neoliberal developmental paradigm, Poland adopted the regulations regarding management of urban policy, which had been wait for over a decade (accession to the EU). The National Urban Policy as well as the Act on revitalization have defined, in a modern manner, the field of cooperation between the local government, the administration...
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Algorithms and Tools for Intelligent Control of Critical Infrastructure Systems
PublicationCritical Infrastructure Systems (CIS) are spatially distributed and of a network structure. The dynamics are nonlinear, uncertain and with several time scales. There is a variety of different objectives to be reliably met under a wide range of operational conditions. The operational conditions are influenced by the disturbance inputs, operating ranges of the CIS, faults in the sensors and actuators and abnormalities occurring in...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublicationBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...