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Search results for: MCMILLAN-MAYER THEORY
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublicationHerein, we present a simple synthesis of mixed-valent phosphinophosphoranes bearing three- and five-coordinate phosphorus centers. Compounds with phosphorus–phosphorus bonds were synthesized via a reaction of lithium phosphides RR′PLi with cat2PCl (cat = catecholate), whereas derivatives with methylene-linked phosphorus centers were obtained via a reaction of phosphanylmethanides RR′CH2Li with cat2PCl. The presence of accessible...
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Numerical and quantitative analysis of HIV/AIDS model with modified Atangana-Baleanu in Caputo sense derivative
PublicationFractional calculus plays an important role in the development of control strategies, the study of the dynamical transmission of diseases, and some other real-life problems nowadays. The time-fractional HIV/AIDS model is examined using a novel method in this paper. Based on the Atangana-concept Baleanu’s of a derivative in the Caputo sense, the current modified fractional derivative operator uses singular and non-local kernels....
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Validating the Rules of Government Automation
PublicationThere is growing evidence on the benefits and risks of government automation, and how should government organizations proceed with automation when the benefits outweigh the risks. This evidence was recently consolidated into the "rules of government automation", part of the project funded by the Inter-American Development Bank. The project uncovered that the combined nature of government work and its transformation into digital...
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Numerical analyses of novel prefabricated structural wall panels in residential buildings based on laboratory tests in scale 1:1
PublicationThe paper presents experimental and numerical investigations on novel prefabricated composite building wall panels for residential building constructions. The wall panels were composed of reinforced concrete ribbed elements with the core from the EPS foam as the thermal insulation. The wall panels in the full-scale 1:1 were subjected to vertical loads. In the first step, the experiments were analysed with simple usual static methods....
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Być czy mieć? Hierarchia kapitałów w wybranych przedsiębiorstwach ICT na Pomorzu
PublicationPrezentowany artykuł stanowi podsumowanie pierwszej, początkowej fazy konstruowania koncepcji wykorzystującej przekształconą teorię kapitałów Pierre’a Bourdieu w analizie działań przedsiębiorstw. Jej sednem jest podział dostępnych przedsiębiorstwom zasobów na cztery podstawowe typy odpowiadające wyróżnionym typom kapitału, a więc: kapitałowi ekonomicznemu, społecznemu, kulturowemu i symbolicznemu oraz założenie, zgodnie z którym...
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Optymalizacja doboru prawa konstytutywnego membrany o strukturze plecionej
PublicationCelem niniejszej dysertacji jest opracowanie zagadnienia optymalizacyjnego pozwalającego dobrać model konstytutywny opisujący mechaniczne zachowanie membrany technicznej. Do analizy wybrano membrany plecione, stosowane w medycynie, tzw. siatki chirurgiczne. W celu wykonania identyfikacji praw konstytutywnych, wykonano dwuosiowe rozciąganie próbek materiałów, otrzymując wskazanie na nieliniowe anizotropowe zachowanie materiałów....
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Od modelu biznesu przedsiębiorstwa do modelu biznesu organizacji publicznej
PublicationZadowolenie obywateli z jakości życia jest związane z poziomem zaspokajania ich potrzeb, wśród których występuje możliwość korzystania z dóbr publicznych. Wiąże się to z dostępem do usług publicznych. Gospodarzami w zakresie świadczenia tych usług są organizacji publiczne. Zatem z rozumowania logicznego wynika, że wzrost zadowolenia mieszkańców może nastąpić wówczas, gdy podniesie się dostępność i poziom jakości usług publicznych....
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Adhesive Monitoring with Instrumented Wedge Test
PublicationThe wedge test (sometimes called the Boeing wedge test) is amongst the most readily exploitable techniques for assessment of the rate-dependent fracture energy of adhesive materials when used to bond relatively rigid substrates. With its siblings: the double cantilever beam (DCB), and the tapered double cantilever beam (TDCB), a force is applied, essentially in cleavage, to provoke substrate separation perpendicularly to the bondline...
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublicationThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublicationThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublicationWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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Personal Brand Value and Social Media, the Top Football Players’ Case
PublicationPersonal branding valuation and social media usage are new and empirically unexplored areas of research. The aim of the presented study is to determine how social media performance and sentiment are related to the value of a personal brand. Based on an example of 100 most valuable football players, in reference to transfermarkt.com and the sentione.com (sentiment analysis), the author points out the strongest...
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Quantum metrology: Heisenberg limit with bound entanglement
PublicationQuantum entanglement may provide a huge boost in the precision of parameter estimation. However, quantum metrology seems to be extremely sensitive to noise in the probe state. There is an important still open question: What type of entanglement is useful as a resource in quantum metrology? Here we raise this question in relation to entanglement distillation. We provide a counterintuitive example of a family of bound entangled states...
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Tailoring optical constants of few-layer black phosphorus coatings: Spectroscopic ellipsometry approach supported by ab-initio simulation
Publication2D black phosphorus (BP) has attracted extensive attention as an anisotropic platform for novel optoelectronic and polarizing optics applications. Insight into the factors that tune the optical and polarizing properties of 2D BP reveals their essential influence on BP-based photonic and optoelectronic devices. In this work, studies of the optical constants of few-layer black phosphorus coatings are studied and discussed, with particular...
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Impact of information systems (IS) infusion on Open Government Data (OGD) adoption
PublicationPurpose – This study aims to underline the possible influence of the moderator, information systems (IS) infusion, on Open Government Data (OGD) adoption and usage. Design/methodology/approach – Using the partial least squares-structural equation modeling methodological approach, the adapted unified theory of acceptance and use of technology (UTAUT) model has been used for understanding the role of themoderating variable, namely,...
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ARRIERE-GARDE IN ARCHITECTURE, AS A RESPONSE TO POST-POSTMODERN REALITY
PublicationThe article presents a general discussion on the direction of contemporary architecture. We can freely speak that postmodernity, understood in its philosophical core as a search for meaning in architecture, as a strategy of building our environment is over. What comes next? Some say, from lack of better naming, that we live in post-postmodern times. Term post-postmodernity is a call for new strategy of shaping our societies and...
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Optimal control at energy performance index of the mobile robots following dynamically created trajectories
PublicationIn practice, the problem of motion control of the wheeled mobile robots is often neglected. Wheeled mobile robots are strongly nonlinear systems and restricted by non-holonomic constraints. Motion control of such systems is not trivial task and usage of non-optimal control signals can lead to deterioration of the overall robot system’s performance. In case of autonomous application of the mobile robots all parts of its control...
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CREATING A RANKING OF DIAGNOSTIC PARAMETERS FOR THE DYNAMIC PROCESS OF A MARINE COMBUSTION ENGINE IN THE ASPECT OF MULTI-CRITERIA EVALUATIONS
PublicationThe change of some of the engine’s structural parameters affects the change of toxic compound emission in exhaust gases. It mainly applies to the damage sustained by the charge exchange system as well as the fuel system and the engine supercharging system. These changes are definitely higher during dynamic states and the related transient states. As such, it is possible to speak of a diverse sensitivity of the diagnostic parameters...
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Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6
PublicationBismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photogenerated charge carriers. Herein, density functional theory (DFT) simulations revealed that the formation of a thermodynamically stable AgInS2(112)/Bi2WO6(010) heterojunction could promote charge separation and enhance the photoactivity of Bi2WO6. To confirm these theoretical predictions, a new type of photocatalysts in the form...
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Property sustainable value versus highest and best use analyzes
PublicationThis article proposes the possibility of applying fuzzy logic theory to perform the tasks of determining the market value of agricultural lands. These tasks are of a multi‐criteria character, as multiple factors are taken into consideration during the land value valuation process. The market value of agricultural land plots, calculated using fuzzy logic methods, can provide a basis for further use in the processes that are directly...
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Thermal buckling of functionally graded piezomagnetic micro- and nanobeams presenting the flexomagnetic effect
PublicationGalerkin weighted residual method (GWRM) is applied and implemented to address the axial stability and bifurcation point of a functionally graded piezomagnetic structure containing flexomagneticity in a thermal environment. The continuum specimen involves an exponential mass distributed in a heterogeneous media with a constant square cross section. The physical neutral plane is investigated to postulate functionally graded material...
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Structural Design and Sensitivity Analysis of Semi-Rigid Pavement of a Motorway
PublicationThis paper presents application of mechanistic-empirical methods in design of semi-rigid pavement for a section of a motorway in Poland. The stage construction was assumed. Three fatigue criteria were applied in the design. For asphalt fatigue cracking and subgrade soil the criteria from the Asphalt Institute (1981) were applied. For fatigue cracking of cement stabilized bases the Dempsey (1984) and De Beer (1992) criteria were...
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GDAŃSK UNIVERSITY OF TECHNOLOGY - A CONTINUATOR OF THE LVIV SCHOOL OF ARCHITECTS' EDUCATION ON THE EXAMPLE OF DESCRIPTIVE GEOMETRY TEACHING
PublicationThe new theory at the time was descriptive geometry, quickly reached the Polish lands. Her first lecture was held at the Warsaw School of Artillery and Engineering in 1809-1812, by a French teacher Jan Joachim Livet (1809-12). The new discipline was quickly adopted in all major centers of Polish science at that time, which include university cities - Warsaw, Krakow, Vilnius and the Krzemienieckie High School, which represent high...
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On some problems in determining tensile parameters of concrete model from size effect tests
PublicationThe paper presents results of numerical simulations of size effect phenomenon in concrete specimens. The behaviour of in-plane geometrically similar notched and unnotched beams under three-point bending is investigated. In total 18 beams are analysed. Concrete beams of four different sizes and five different notch to depth ratios are simulated. Two methods are applied to describe cracks. First, an elasto-plastic constitutive law...
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublicationThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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Role of surface recombination in perovskite solar cells at the interface of HTL/CH3NH3PbI3
PublicationIn order to achieve the highest performance of organometal trihalide perovskite solar cells, it is required to recognize the dominant mechanisms which play a key role in a perovskite material. In the following studies, we have focused on the interfacial recombination between the hole transporting layer (HTL) and the perovskite CH3NH3PbI3 in solar cell devices with p–i–n architecture. It has been shown that Cu:NiOx : used as HTL...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublicationPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Extractive detoxification of feedstocks for the production of biofuels using new hydrophobic deep eutectic solvents – Experimental and theoretical studies
PublicationThe paper presents a synthesis of novel hydrophobic deep eutectic solvents (DESs) composed of natural components, which were used for removal of furfural (FF) and 5-hydroxymethylfurfural (HMF) from lignocellulosic hydrolysates. The main physicochemical properties of DESs were determined, followed by explanation of the DES formation mechanism, using 1H NMR, 13C NMR and FT-IR analysis and density functional theory (DFT). The most...
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Enhanced photocatalytic properties of lanthanide-TiO2 nanotubes: An experimental and theoretical study
PublicationA series of Er-, Yb-, Ho-, Tb-, Gd-, Pr-TiO2 nanotubes (RE-NTs) was prepared via an electrochemical method. The as-prepared photocatalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), UV–vis absorption, scanning electron microscopy (SEM) and luminescent spectroscopy. The experiments demonstrated that toluene in the gas phase was successfully degraded under visible light (LEDs λmax = 465...
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Study of Slip Effects in Reverse Roll Coating Process Using Non-Isothermal Couple Stress Fluid
PublicationThe non-isothermal couple stress fluid inside a reverse roll coating geometry is considered. The slip condition is considered at the surfaces of the rolls. To develop the flow equations, the mathematical modelling is performed using conservation of momentum, mass, and energy. The LAT (lubrication approximation theory) is employed to simplify the equations. The closed form solution for velocity, temperature, and pressure gradient...
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ASSESSING THE POTENTIAL REPLACEMENT OF MINERAL OIL WITH ENVIRONMENTALLY ACCEPTABLE LUBRICANTS IN A STERN TUBE BEARING: AN EXPERIMENTAL ANALYSIS OF BEARING PERFORMANCE
PublicationT his study compares the performance of a plain bearing, with a similar structure to a tail shaft stern bearing, lubricated with either mineral oil or an environmentally acceptable lubricant (EAL). The main characteristic of the bearing is its length/diameter ratio of <1. Measurements are carried out with the bearing operating under loads from 0.5 to 1 MPa and seven speeds ranging from 1 to 11 rev/s. The bearing lubricated...
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Analytical Methods for Causality Evaluation of Photonic Materials
PublicationWe comprehensively review several general methods and analytical tools used for causality evaluation of photonic materials. Our objective is to call to mind and then formulate, on a mathematically rigorous basis, a set of theorems which can answer the question whether a considered material model is causal or not. For this purpose, a set of various distributional theorems presented in literature is collected as the distributional...
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Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures
PublicationDeep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity,...
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Incorporating installation effects into the probability analysis of controlled modulus columns
PublicationThis technical report presents the probabilistic analysis which integrates the Monte Carlo simulation (MCS) with random field theory to model the load–displacement behavior of Controlled Modulus Columns (CMCs) in overconsolidated Poznań clay. Presented study focuses on the practical aspects of statistical analysis of geotechnical data, numerical model development, and results evaluation. Variability and spatial distribution of...
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A new anisotropic bending model for nonlinear shells: Comparison with existing models and isogeometric finite element implementation
PublicationA new nonlinear hyperelastic bending model for shells formulated directly in surface form is presented, and compared to four existing prominent bending models. Through an essential set of elementary nonlinear bending test cases, the membrane and bending stresses of each model are examined analytically. Only the proposed bending model passes all the test cases, while the other bending models either fail or only pass the test cases for...
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Electro-thermal buckling of elastically supported double-layered piezoelectric nanoplates affected by an external electric voltage
PublicationPurpose Thermal buckling of double-layered piezoelectric nanoplates has been analyzed by applying an external electric voltage on the nanoplates. The paper aims to discuss this issue. Design/methodology/approach Double-layered nanoplates are connected to each other by considering linear van der Waals forces. Nanoplates are placed on a polymer matrix. A comprehensive thermal stress function is used for investigating thermal buckling....
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Mobile satellite measurements in designing and exploitation of rail roads
PublicationThe article presents a summary of several years (2009-2015) of studies on the application of mobile satellite Global Navigation Satellite Systems (GNSS) measurements in the field of designing and operation of railways. These studies have been conducted by an interdisciplinary research team from the Gdansk University of Technology and the Gdynia Maritime University. Mobile satellite GNSS measurements are taken during a ride (through...
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Green Therapy w projektowaniu ośrodków medycznych Green Therapy in complex design of health centres
PublicationKoncepcja przestrzenna ogrodu terapeutycznego podporządkowana jest generalnej idei otwierania się projektantów na poszukiwanie nowych możliwości poprawy samopoczucia odbiorcy - poprzez zapewnienie użytkownikom poczucia bezpieczeństwa, komfortu i odprężenia, harmonii. Dotyczy to nie tylko grupy osób chorych, które dręczone są przez niepokoje i napięcia wywołane przez niepełnosprawność czy chorobę, ale także pacjentów w różnym wieku...
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Kompozytowy most dla pieszych. Badania doświadczalne i przygotowanie do projektowania
PublicationDysertacja powstała w ramach grantu badawczego NCBiR, pt. „Opracowanie kompozytowych przęseł mostów dla pieszych do zastosowania nad drogami GP”, nr PBS1/B2/6/2013. Głównym celem pracy było wsparcie procesu projektowania kompozytowego mostu pieszo-rowerowego. Zakres pracy obejmuje badania doświadczalne elementów kompozytowych GFRP, walidację modeli obliczeniowych oraz wykorzystanie aparatu analizy wrażliwości do procesu projektowego....
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Quantum entanglement
PublicationAll our former experience with application of quantum theory seems to say that what is predicted by quantum formalism must occur in the laboratory. But the essence of quantum formalism-entanglement, recognized by Einstein, Podolsky, Rosen, and Schrödinger-waited over 70 years to enter laboratories as a new resource as real as energy. This holistic property of compound quantum systems, which involves nonclassical correlations between...
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Electronic structure and charge distribution in DyBa2Cu3O7: The ab initio approach
PublicationW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej nadprzewodzącego materiału DyBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Dy zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Pawlak's flow graph extensions for video surveillance systems
PublicationThe idea of the Pawlak's flow graphs is applicable to many problems in various fields related to decision algorithms or data mining. The flow graphs can be used also in the video surveillance systems. Especially in distributed multi-camera systems which are problematic to be handled by human operators because of their limited perception. In such systems automated video analysis needs to be implemented. Important part of this analysis...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Synthesis, spectroscopy and computational studies of some novelphosphorylated derivatives of quinoline-5,8-diones
PublicationThe neutral phosphorus nucleophiles such as R2P(=Y)M allowed the radical addition to 2-methyl-5,8-dioxo-5,8-dihydroquinoline-7-amine and N-(2-methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)acetamide giving exclusively O-phosphorylated products. All products were quantitatively prepared and characterized by microanalysis, and multinuclear NMR spectroscopy. Seven of them, have been characterized by single crystal X-ray diffraction method....
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Usability Testing of Mobile Applications: A Methodological Framework
PublicationLess than five percent of all mobile applications have become successful throughout 2023. The success of a new mobile application depends on a variety of factors ranging from business understanding, customer value, and perceived quality of use. In this sense, the topic of usability testing of mobile applications is relevant from the point of view of user satisfaction and acceptance. However, the current knowledge seems to be fragmented,...
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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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The Implementation of Fuzzy Logic in Forecasting Financial Ratios
PublicationThis paper is devoted to the issue of forecasting financial ratios. The objective of the conducted research is to develop a predictive model with the use of an innovative methodology, i.e., fuzzy logic theory, and to evaluate its effectiveness. Fuzzy logic has been widely used in machinery, robotics and industrial engineering. This paper introduces the use of fuzzy logic for the financial analysis of enterprises. While many current...
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublicationSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....