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Hybrid Monte-Carlo simulations of fluorescence anisotropy decay in disordered two-component systems in the presence of forward and back energy transfer
PublicationW pracy przedstawiono hybrydowy algorytm symulacji Monte Carlo zaniku anizotropii emisji fluorescencji w układach dwuskładnikowych z uwzględnieniem prostego i powrotnego transferu energii. Poprawność nowego algorytmu symulacji Monte Carlo zweryfikowano poprzez porównanie z wynikami obliczeń teoretycznych otrzymanymi w ramach modelu SCDM i z wynikami standardowej symulacji Monte Carlo (algorytm 'step by step').
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Hybrid Monte-Carlo simulations of fluorescence anisotropy decayin three-component donor-mediator-acceptor systems in the presenceof energy transfer
PublicationW pracy przedstawiono nowy hybrydowy algorytm symulacji Monte-Carlo układu trójskładnikowego donor-mediator-akceptor. Działanie algorytmu zilustrowano na przykładzie zaników anizotropii emisji fluorescencji powyższego układu. Porównano wyniki hybrydowej symulacji Monte-Carlo z wynikami klasycznej metody ''step by step''. Stwierdzono bardzo dobrą zgodność wyników obu symulacji, przy czym algorytm hybrydowy wymaga znacznie krótszego...
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Bioactive hybrid metal-organic framework (MOF)-based nanosensors for optical detection of recombinant SARS-CoV-2 spike antigen
PublicationFast, efficient, and accurate detection of SARS-CoV-2 spike antigen is pivotal to control the spread and reduce themortality of COVID-19. Nevertheless, the sensitivity of available nanobiosensors to detect recombinant SARS-CoV-2 spike antigen seems insufficient. As a proof-of-concept, MOF-5/CoNi2S4 is developed as a low-cost, safe, and bioactive hybrid nanostructure via the one-pot high-gravity protocol. Then, the porphyrin, H2TMP,...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Effect of silver/copper and copper oxide nanoparticle powder on growth of Gram-negative and Gram-positive bacteria and their toxicity against the normal human dermal fibroblasts
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Scattering of electron from hydride molecules: PH3.
PublicationArtykuł prezentuje zmierzone całkowite przekroje czynne na rozpraszanie elektronów dla PH3 w zakresie energii 0.5-370eV. Wyniki otrzymane za pomocą metody transmisyjnej zostały porównane z dostępnymi danymi doświadczalnymi i teoretycznymi. Przeprowadzono również analizę zachowania się całkowitego przekroju czynnego w funkcji energii dla drobin izoelektronowych zawierających wodór i atomy pierwiastków z trzeciego okresu (SiH4, PH3,H2S,...
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Cobalt-/Copper-Containing Perovskites in Oxygen Evolution and Reduction Reactions
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Copper binding by the cystatin C fragment. The role of histidine residues
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Bromidotetrakis(2-isopropyl-1Himidazole-kN3)copper(II) bromide
PublicationAtom Cu(II) w tytułowym kompleksie jest skoordynowany przez cztery atomy N obojętnych cząsteczek imidazolu oraz jon bromkowy. Jon kompleksowy ma geometrię piramidy kwadratowej.
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Sustainable utilization of copper post-flotation waste in cement composites
PublicationThe current way of managing the copper ore flotation waste is by placing it in waste neutralization facilities. However, flotation waste has great potential in application in cement composites. The article presents the detailed characteristics of post-flotation waste (PFW) and three types of cements: CEM I, CEM II/B-V, and CEM III/A, 42.5 MPa class. The post-flotation waste added for 20% of the cement mass increase the water demand...
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Copper-based 2D-coordination polymer as catalyst for allylation of aldehydes
PublicationA copper-tartrate, [Cu2(Tart)2(H2O)2]·4H2O, was synthesized at room temperature in aqueous media using copper chloride and D-tartaric acid. The compound crystallizes in the monoclinic system P21 space group and was characterized by infrared spectroscopy, thermogravimetry, X-ray powder diffraction and the results are in good agreement with the single crystal...
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Sodium nitrite as a corrosion inhibitor of copper in simulated cooling water
PublicationThe corrosion inhibition behavior of sodium nitrite (NaNO2) towards pure copper (99.95%) in simulated cooling water (SCW) was investigated by means of electrochemical impedance spectroscopy (EIS) and dynamic electrochemical impedance spectroscopy (DEIS). NaNO2 interferes with metal dissolution and reduce the corrosion rate through the formation or maintenance of inhibitive film on the metal surface. Surface morphologies illustrated...
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Copper(i) complexes with phosphine derived from sparfloxacin. Part III: multifaceted cell death and preliminary study of liposomal formulation of selected copper(i) complexes
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Kinetics of aquation of Ni(II) oxydiacetate complex induced by Fe(III) ions
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Correlations of structural, thermal and electrical properties of sodium doped complex borophosphosilicate glass
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Modulatory Effects of Caffeine and Pentoxifylline on Aromatic Antibiotics: A Role for Hetero-Complex Formation
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The analysis of the operational process of a complex fire alarm system used in transport facilities
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Project management for the construction sector in the field of foundation of buildings in complex conditions of the subsoil
PublicationAutorzy: Gwóźdź-Lasoń Monika, Kohutek...
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Towards the autonomy of urban management: simple system as a solution for complex urban environment
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Studies of the complex formation between some proton sponges and Cu(II) cations
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Dynamics control of powered hydraulic roof supports in the underground longwall mining complex
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Mapping Mechanostable Pulling Geometries of a Therapeutic Anticalin/CTLA-4 Protein Complex
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The Syntheses and Crystal Structures of the First Disiloxane-1,3-dithiol and Its Cadmium Complex.
PublicationThe new silicon–sulfur compound: disiloxane-1,3-dithiol was obtained from silicon disulfide and 2,6-diisopropylphenol in a reaction catalyzed by imidazole or 4-(dimethylamino)pyridine (DMAP). Crystal structure of disiloxane–1,3-dithiol reveals a close-to-linear Si–O–Si angle and a mutual trans position of the two hydrosulfido groups. The compound forms a chelating mononuclear complex with cadmium ions.
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Spray deposited carbon nanotubes counter electrodes for dye-sensitized solar cells
PublicationCarbon nanotubes due to their catalytic properties are a promising alternative to platinum counter electrodes (CE) for dye-sensitized solar cells (DSSC). In this study, counter electrodes were made from double-walled carbon nanotube (DWCNT) ink using the spray printing technique and afterwards thermally treated at temperatures ranging from 120 to 300 °C. Morphology and structure was studied using scanning electron microscopy and...
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Electroabsorption study of metal-to-ligand charge transfer in an organic complex of iridium (III).
PublicationW pracy zmierzono i zinterpretowano widmo elektroabsorpcji (EA) próżniowo naparowanych warstw organicznego kompleksu Ir(ppy)3, powszechnie stosowanego jako emiter fosforescencyjny w organicznych diodach elektroluminescencyjnych. Analiza widma EA potwierdziła fakt,że niskoenergetyczne stany elektronowe tego kompleksu związane są z przeniesieniem ładunku metal-ligand.
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Crystal and molecular structure of lithium iodide complex of 13-membered azoxycrown ether
PublicationPublikacja zawiera uzupełniające informacje do znalezionej wcześniej korelacji między typem kationu, rozmiarem makrocyklu i cechami struktury krystalicznej kompleksów a selektywnością elektrod membranowych dotowanych odpowiednimi azo- lub azoksykoronami. Ustalono strukturę krystaliczną i molekularną kompleksu 13-członowej azoksykorony (L13-O) z jodkiem litu. Stechiometria kompleksu jest 1:1. Kryształ zbudowany jest z hydratowanych...
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A modelling approach to the transport support for the harvesting and transportation complex under uncertain conditions
PublicationThe article proposes a modelling approach based on structural and parametric identification of the transport support of the harvesting and transportation complex. The efficiency and effectiveness of the proposed methods of structural and parametric identification for the development of a system for harvesting and transportation complex operation has been proved. A mathematical model based on fuzzy logic has been developed. It reflects...
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Comparison of Doppler Effect Estimation Methods for MFSK Transmission in Multipath Hydroacoustic Channel
PublicationUnderwater wireless communication remains a challenging topic, particularly for applications such as wreck penetration where multipath and Doppler effects are very intense. These effects are becoming even more difficult to mitigate for fast data transmission systems that utilize wideband signals. Due to the low propagation speed of acoustic wave in the water, there is a significant difference between the Doppler shift for lower...
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Correlations of structural, thermal and electrical properties of sodium doped complex borophosphosilicate glass
PublicationBorophosphosilicate glasses with varying sodium ion concentrations were investigated for their, structural, thermal, and electrical properties. All the obtained glasses were transparent except the glass with the highest sodium content, which exhibited translucency due to inhomogeneities. Increasing sodium content led to reduced boron and silicon content while maintaining a constant B/Si ratio, indicating progressive depolymerization...
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Self-Adaptive Mesh Generator for Global Complex Roots and Poles Finding Algorithm
PublicationIn any global method of searching for roots and poles, increasing the number of samples increases the chances of finding them precisely in a given area. However, the global complex roots and poles finding algorithm (GRPF) (as one of the few) has direct control over the accuracy of the results. In addition, this algorithm has a simple condition for finding all roots and poles in a given area: it only requires a sufficiently dense...
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Glossary [Intellectual Output 1] Glossary as a method for reflection on complex research questions
PublicationGlobalization and digitization are strongly influencing the process of shaping the built environment. The latter is causing the new design tools to emerge faster than ever before in history, while the former is speeding up not only the development, but also the broad roll-out of more agile and interdisciplinary methodologies and work approaches. The design process is also becoming more and more inter- and trans-disciplinary. This...
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Spray-deposited carbon-nanotube counter-electrodes for dye-sensitized solar cells
PublicationCarbon nanotubes due to their catalytic properties are a promising alternative to platinum counter electrodes (CE) for dye-sensitized solar cells (DSSC). In this study, counter electrodes were made from double-walled carbon nanotube (DWCNT) ink using the spray printing technique and afterwards they were thermally treated at temperatures ranging from 120 to 300 °C. Morphology and structure was studied using scanning electron microscopy...
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Pitch estimation of narrowband-filtered speech signal using instantaneous complex frequency
PublicationIn this paper we propose a novel method of pitch estimation, based on instantaneous complex frequency (ICF). New iterative algorithm for analysis of ICF of speech signal in presented. Obtained results are compared with commonly used methods to prove its accuracy and connection between ICF and pitch, particularly for narrowband-filtered speech signal.
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Electron-scattering total cross sections for complex molecules: group additivity rule
PublicationZaprezentowano całkowite przekroje czynne na rozpraszanie elektronów na dwóch rodzinach drobin: pierwszej - zawierającej azot jako atom centralny [N(CH3)3, NH2CH3, NH3]oraz drugiej - rodzinę eterów cyklicznych [c-(CH2)nO, gdzie n=2-5]. Zostało pokazane, że TCS dla niektórych drobin wieloatomowych można wyznaczyć na podstawie wyników TCS dla drobin o prostszej budowie lub ich fragmentów.
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Pitch estimation of narrowband-filtered speech signal using instantaneous complex frequency
PublicationIn this paper we propose a novel method of pitch estimation, based on instantaneous complex frequency (ICF). New iterative algorithm for analysis of ICF of speech signal in presented. Obtained results are compared with commonly used methods to prove its accuracy and connection between ICF and pitch, particularly for narrowband-filtered speech signal.
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Prognostic and diagnostic capabilities of OOBN in assessing investment risk of complex construction projects
PublicationModelling decision problems using Bayesian networks is extremely valuable especially in case of issues related to uncertainty; it is also very helpful in constructing and understanding visual representation of the elements and their relations. This approach facilitates subsequent application of Bayesian networks, however there can be situations where using simple Bayesian networks is impractical or even ineffective. The aim of...
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Visualizing Carotid Bodies With Doppler Ultrasound Versus CT Angiography: Preliminary Study
PublicationOBJECTIVE. The purpose of this article is to evaluate the utility of ultrasound in identifying carotid bodies (CBs) in patients with drug-resistant arterial hypertension. SUBJECTS AND METHODS. We enrolled 13 patients with drug-resistant hypertension into a trial for surgical CB excision. CT angiography (CTA) and Doppler ultrasound (DUS) of the cervical arteries were performed before surgery. CBs were identified in a blind manner...
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Preferences and Transport Behavior of Gdansk Residents in the Light of the Result of Complex Traffic Survey
PublicationPreferences and transport behavior of the population are a fundamental aspect of research in public transport. Identifying the basic postulates of transport, the factors determining the specific behavior of transport and modal split allow to analyze the differences between the groups singled passengers and to prepare better offer of an urban transport. In Poland, still in many cities urban transport research is conducted ad hoc,...
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Design of a complex multiplier based on the convolution with the use of the polynomial residue number system
Publicationzaproponowano realizację mnożnika zespolonego opartego na algorytmie dekompozycyjnym skavantzosa i stouraitisa. mnożenie zespolone jest wykonywane jako splot 8-punktowy. przedstawiono przykład obliczeniowy i architekturę mnożnika dla małych liczb.
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INFLUENCE OF BISMUTH CONTENT ON COMPLEX IMMITTANCE CHARACTERISTICS OF PRESSURELESS SINTERED BiNbO4 CERAMICS
PublicationGoal of the present research was to study immittance properties of BiNbO4 ceramics fabricated by the solid state reaction route followed by pressureless sintering. Four sets of samples were examined, namely the one fabricated from the stoichiometric mixture of oxides, viz. Bi2O3 and Nb2O5 as well as the ones with an excess of 3%, 5% and 10% by mole of Bi2O3. The immittance properties were studied by impedance spectroscopy. Measurements...
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Suppression of distortions in signals received from Doppler sensor for vehicle speed measurement
PublicationDoppler sensors are commonly used for movement detection and speed measurement. However, electromagnetic interference and imperfections in sensor construction result in degradation of the signal to noise ratio. As a result, detection of signals reflected from moving objects becomes problematic. The paper proposes an algorithm for reduction of distortions and noise in the signal received from a simple, dual-channel type of a Doppler...
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Complex Corrosion Monitoring System for Crude Distillation Unit in Form of Neutral Network
PublicationComplex and successful corrosion monitoring of refinery processes can significantly reduce material losses and failure risk. The developed corrosion monitoring system is based on online ultrasonic sensors, ER (electrical resistance) probes, gravimetric method and multipoint analytical analysis of chemical composition of the fluids. Additional online LPR (linear polarization resistance) sensors controlling corrosiveness of sour...
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Estimation of Broadband Complex Permeability Using SIW Cavity-Based Multimodal Approach
PublicationIn this article, an attractive multimodal substrate integrated waveguide (SIW) based methodology is presented for the characterization of magnetic materials in the broadband microwave frequency. The proposed approach employs a modified feed under-coupled SIW cavity instead of conventional feed over-coupled multiple SIW cavities; it uses the modified closedform expression, developed from the first principle to consider the effect...
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Multimodal Genetic Algorithm with Phase Analysis to Solve Complex Equations of Electromagnetic Analysis
PublicationIn this contribution, a new genetic-algorithm-based method of finding roots and poles of a complex function of a complex variable is presented. The algorithm employs the phase analysis of the function to explore the complex plane with the use of the genetic algorithm. Hence, the candidate regions of root and pole occurrences are selected and verified with the use of discrete Cauchy's argument principle. The algorithm is evaluated...
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Application of 3D printing metal powder technology in the manufacture of components with complex geometries
PublicationThe possibilities of using 3D printing powder technologies for making objects with complex geometries were presented. For this purpose, selected examples of elements with different geometries were used, which were built using metal powder methods – DMLS (direct metal laser sintering) / SLM (selective laser melting). Simultaneously, the indicated elements concern those areas of industry where 3D printing technology has been widely...
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An Improvement of Global Complex Roots and Poles Finding Algorithm for Propagation and Radiation Problems
PublicationAn improvement of the recently developed global roots finding algorithm has been proposed. The modification allows to shorten the computational time by reducing the number of function calls. Moreover, both versions of the algorithms (standard and modified) have been tested for numerically defined functions obtained from spectral domain approach and field matching method. The tests have been performed for three simple microwave...
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Choosing Exploration Process Path in Data Mining Processes for Complex Internet Objects
PublicationWe present an experimental case study of a novel and original framework for classifying aggregate objects, i.e. objects that consist of other objects. The features of the aggregated objects are converted into the features of aggregate ones, by use of aggregate functions. The choice of the functions, along with the specific method of classification can be automated by choosing of one of several process paths, and different paths...
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A Self-Adaptive Complex Root Tracing Algorithm for the Analysis of Propagation and Radiation Problem
PublicationAn improved complex root tracing algorithm for radiation and propagation issues is proposed. The approach is based on a self-adaptive discretization of Cauchy’s argument principle for a C × R space and requires a reduced number of function calls in comparison to other procedures presented in the literature. A few different examples concerning propagation and radiation problems have been considered to verify the validity and efficiency...
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Modeling an Industrial Revolution: How to Manage Large-Scale, Complex IoT Ecosystems?
PublicationAdvancements around the modern digital industry gave birth to a number of closely interrelated concepts: in the age of the Internet of Things (IoT), System of Systems (SoS), Cyber-Physical Systems (CPS), Digital Twins and the fourth industrial revolution, everything revolves around the issue of designing well-understood, sound and secure complex systems while providing maximum flexibility, autonomy and dynamics. The aim of the...
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Choosing Exploration Process Path in Data Mining Processes for Complex Internet Objects
PublicationWe present an experimental case study of a novel and original framework for classifying aggregate objects, i.e. objects that consist of other objects. The features of the aggregated objects are converted into the features of aggregate ones, by use of aggregate functions. The choice of the functions, along with the specific method of classification can be automated by choosing of one of several process paths, and different paths...