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Wyniki wyszukiwania dla: FUNCTIONAL GROUP APPROACH
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Analiza bezpieczeństwa funkcjonalnego i ochrony informacji w rozproszonych systemach komputerowych pełniących funkcje sterowania i zabezpieczeń
PublikacjaW niniejszym artykule przedstawiona została problematyka związana z analizą bezpieczeństwa funkcjonalnego rozproszonych systemów sterowania i automatyki zabezpieczeniowej z uwzględnieniem zagadnień ochrony informacji. Powinny być one rozpatrywane w sposób zintegrowany w zależności od rodzaju komunikacji stosowanej do transmisji danych. W tym celu zaproponowano podział analizowanych systemów na trzy kategorie. Zaproponowane podejście...
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Methodological issues of functional safety and reliability assessment of critical systems in industrial hazardous plants
PublikacjaThe aim of this article is to identify and discuss some methodological issues that are of interest among functional safety specialists and experts after publication of the second edition of international standards IEC 61508 and IEC 61511, including the design and implementing the safety-related functions of higher safety integrity levels and protection layers. The basic role of safety-related systems is to reduce effectively and...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublikacjaTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Government in the metaverse: Requirements and suitability for providing digital public services
PublikacjaDigital government comprises all means to enable governments to interact with their constituents digitally. The metaverse provides a virtual reality environment where various activities can be carried out without physically visiting the places of interest, including the public authorities. Yet, how governments can use the metaverse is unknown. This paper aims to extend the understanding of the metaverse architecture requirements...
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Bunker demolition located in a conservation protection zone in the light of technical, national defense, functional-utility and economic conditions
PublikacjaThe paper presents a description of the technical condition of the Bunker building located at the port quay, which has been out of use for several decades. The direct reason for the cessation of exploitation was the deletion of Bunker from the Civil Defense records. The paper contains a detailed analysis of the Bunker's technical condition, also taking into account the national defense, functional and utility aspects and the issues...
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Knowledge-based functional safety and security management in hazardous industrial plants with emphasis on human factors
PublikacjaExisting and emerging new hazards have significant potential to impact destructively operation of technical systems, hazardous plants, and systems / networks of critical infrastructure. The programmable control and protection systems play nowadays an important role in reducing and controlling risk in the process of hazardous plant operation. It is outlined how to deal with security related hazards concerning such systems to be...
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A method for the three-dimensional and synchronous resolution of functional and spatial matters in architectural design
PublikacjaThe article discusses the issue of applied methods of teaching architectural design at Polish universities. The authors review the common methods based on conceptual drawings solving design problems in only two dimensions. After completing the floor plans' sketching process carried out in 2D way the 3D virtual models are made - seldom cardboard mock-ups - to illustrate the final spatial form of the designed object. At the Faculty...
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Individual Resources and Intercultural Interactions
PublikacjaThe work environment in multinational corporations (MNCs) is specific and demanding including intercultural interactions with co-workers and clients and using a foreign language. Some individual resources can help in dealing with these circumstances. Individual resources refer to personal dispositions, competencies and prior experiences. With regard to previous studies, a caravan of personal resources, namely Psychological Capital...
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Demolition of the cereal elevator building located in the conservation protection zone in the aspect of technical, functional-utility and economic conditions
PublikacjaThe paper presents a description of the technical condition of the Grain Elevator building situated on the port quay, which after many years of operation has been decommissioned. The immediate reason for the cessation of operation was the change in the use profile of the port quay, which caused the handling of other goods at the quay than the bulk materials originally stored in Elewator Zbożowy. The work contains...
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COMBINING FUNCTIONAL AND AESTHETIC ASPECTS OF DAYLIGHTING IN SUSTAINABLE ARCHITECTURE WITH THE USE OF DIGITAL DESIGN METHODS
PublikacjaThe aesthetics of modern architecture should relate to its origins and goals - the environment, function, sustainability and its users. One of the conditions that meet the criteria is the presence of daylight and the use of its potential. The contemporary digital tools that support the design process allow to controlling the use of difficult and capricious materials, such as daylight. They also combine daylighting aspects with...
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Active Dynamic Thermography in Medical Diagnostics
PublikacjaThis is an overview of active thermal imaging methods in medical diagnostics using external thermal stimulation. In this chapter, several clinical cases diagnosed using the active dynamic thermography method, ADT, are presented. Features of this technology are discussed and main advantages underlined. Applications in skin burn diagnostics and quantitative evaluation leading to modern classification of burned patients for further...
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublikacjaCathepsin C is a cysteine protease required for activation of various pro-inflammatory serine proteases and, essentially, is of interest as a therapeutic target. Cathepsin C coordinate system was employed as a model to study the interaction of some already available inhibitors of Cathepsin C. Compounds containing Gly-Phe fragment with functional groups at its ends were designed by knowledge based approach. Using AutoDock and...
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The II phase metabolism of endogenous and exogenous compounds, including antitumor chemotherapeutics
PublikacjaThe II phase metabolism, it is a set of metabolism and excretion pathways of endogenous as well as exogenous compounds including xenobiotics. UDP-glucuronyltransferases (UGTs; EC 2.4.1.17) are the most crucial representatives of II phase enzymes, which are responsible for the transformation of bilirubine and bile acids, steroids and thyroid hormones and lipids. Exogenous compounds, including drugs, carcinogens, environmental pollutants...
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Maillard-reaction (glycation) of biopolymeric packaging films; principles, mechanisms, food applications
PublikacjaBackground The biodegradable, biocompatible, sustainable, and renewable nature of biomaterials has led to increased interest in developing biopolymeric food packaging films (BFPFs) with green ingredients and strategies. To enhance the performance of these films, biopolymer molecules can be modified or combined with additives like nanomaterials, cross-linkers, bioactive compounds, and other polymers, particularly with Maillard-reaction...
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Mechanochemically synthesized Mn3O4@β-cyclodextrin mediates efficient electron transfer process for peroxymonosulfate activation
PublikacjaThe rational surface engineering of heterogeneous catalysts is of great significance in advanced oxidation processes (AOPs) for eliminating refractory contaminants but remains challenging. In this study, β-cyclodextrin modified Mn3O4 (Mn3O4@β-CD) was prepared through a mechanochemical approach for peroxymonosulfate (PMS) activation, which achieved efficient bisphenol A (BPA) removal via electron transfer process (ETP). The reactive...
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Analysing Ways to Achieve a New Urban Agenda-Based Sustainable Metropolitan Transport
PublikacjaThe New Urban Agenda (NUA) sets a new vision of sustainable urban development to help cities deal with the challenges of changing demography. While numerous articles have addressed how the NUA can be implemented at different levels and in different areas, this article points out the potential limitations in incorporating the NUA into metropolitan transport policies. The relevance of the limitations can be seen in three main fields:...
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Completeness and Consistency of the System Requirement Specification
PublikacjaAlthough the System Requirement Specification, as a first formal and detailed document, is the base for the software project in classic software methodologies, there is a noticeable problem of assuring the completeness of this document. The lack of its completeness causes uncertainty of the project foundations. This was one of motivations for agile methodologies – if the SRS cannot be easily validated, if it can change in late project...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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A note on the Morse homology for a class of functionals in Banach spaces involving the 2p-area functional
PublikacjaIn this paper we show how to construct Morse homology for an explicit class of functionals involving the 2p-area functional. The natural domain of definition of such functionals is the Banach space W_0^{1,2p}(\Omega), where p > n/2 and \Omega \subet R^n is a bounded domain with sufficiently smooth boundary. As W_0^{1,2p}(\Omega) is not isomorphic to its dual space,critical points of such functionals cannot be non-degenerate...
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The methylome and transcriptome of fetal skin: implications for scarless healing
PublikacjaAim: Fetal skin is known to heal without scarring. In mice, the phenomenon is observed until the 16–17 day of gestation – the day of transition from scarless to normal healing. The study aims to identify key methylome and transcriptome changes following the transition. Materials & methods: Methylome and transcriptome profiles were analyzed in murine dorsal skin using microarray approach. Results & conclusion: The genes associated...
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Inhibiting activity of HIV-1: protease, reverse transcriptase and integrase all together by novel compounds using computational approaches (flexible and rigid docking)
PublikacjaAcquired immunodeficiency syndrome (AIDS), caused by human immunodeficiency virus type 1 (HIV-1) infection, is one of the most challenging diseases in recent decades. Nevertheless the shortcomings of chemical drugs such as toxicity, lack of curative effects, the search for more potent anti-HIV agents have been focused in our study. In current study, novel scaffold was designed having a benzyl and imidazole in it which are very...
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Cross-talk Between the Heart and Arteries in Older 65+ Adults
PublikacjaRegulatory synchronization between the heart and the arterial walls is essential for optimal blood delivery to tissues. We investigated functional coherence between heart rhythm and aortic wall compliance in 30 volunteers aged 65 – 74. ECG and carotid and iliac pulse-wave were recorded and digitized at 2 kHz. Carotid-femoral pulse-wave transit time (cfTT) which reflex aortic compliance was assessed using the intersecting tangent...
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Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures
PublikacjaDeep 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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Functional safety in the context of risk appraisal criteria and cost-benefit analysis
PublikacjaRozdział przedstawia aktualne zagadnienia dotyczące analizy kosztów i efektów rozwiązań związanych z bezpieczeństwem na przykładzie systemów elektrycznych, elektronicznych i programowalnych elektronicznych (E/E/PE) pełniących funkcje sterowania i zabezpieczeń w obiektach podwyższonego ryzyka. Podkreśla się znaczenie kryteriów związanych z bezpieczeństwem, takich jak tolerowalność ryzyka (TOR) w kontekście analizy kosztów i efektów...
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SZTUKA WIZUALNA W OBIEKTACH MEDYCZNYCH = VISUAL ARTS IN MEDICAL FACILITIES
PublikacjaWspółczesna architektura obiektów służby zdrowia podlega dynamicznym przeobrażeniom formalnym wynikającym zarówno z rozwoju technologii medycznych, zmian zachodzących w podejściu wobec pacjenta. Narastający w naukach medycznych kierunek holistyczny ustawia pacjenta jako użytkownika w trzech wymiarach: biologicznym, społecznym i psychologicznym. Stąd pojawiające się w procesie projektowym dotyczącym szpitali czy przychodni nowe...
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The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublikacjaWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublikacjaAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Timed rolling and rising tests in Duchenne muscular dystrophy ambulant boys: a feasibility study
PublikacjaBACKGROUND: Functional activities are extensively used in motor assessments of patients with Duchenne muscular dystrophy. The role of timed items has been reported as an early prognostic factor for disease progression. However, there are two functional activities that are not widely assessed in clinical practice among Duchenne muscular dystrophy patients: rolling and bed rising. This study aimed to investigate whether the 360-degree...
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Untargeted Lipidomics Analysis of the Cyanobacterium Synechocystis sp. PCC 6803: Lipid Composition Variation in Response to Alternative Cultivation Setups and to Gene Deletion
PublikacjaCyanobacteria play an important role in several ecological environments, and they are widely accepted to be the ancestors of chloroplasts in modern plants and green algae. Cyanobacteria have become attractive models for metabolic engineering, with the goal of exploring them as microbial cell factories. However, the study of cyanobacterial lipids’ composition and variation, and the assessment of the lipids’ functional and structural...
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Variational Method of Finding Streamlines in Ring Cascades for Creeping Flows
PublikacjaThis paper presents a new, analytical method of finding streamlinesfor creeping flows inside a ring cascade which is composed of an infinite number of infinitely thin blades. An analytical solution has been obtained through minimisation of a dissipation functional by means of variational calculus method. The necessary condition for optimum of a functional gives the Stokes equation if some additional assumptions are introduced....
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Advances in Functional Materials 2024
Kursy OnlineOur summer school on Advances in Functional Materials 2024 aims to bring together young scientists (Ph.D. and MSc students) with specialists in materials engineering. You will be able to follow our lectures, and laboratory classes so you can practice what you have learned. This course consists of 40 hours of direct contact classes - 30 hours of lectures and 10 hours of laboratory classes delivered by our specialists from the Advanced...
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Unusual behavior of secondary amine group as a leaving group
PublikacjaIn our recent project we focused on reactivity of2,2-dimethyl-4,6-dioxane-1,3-dione carbamoilo- and thiocarbamoylo- derivatives as a ketenesource. Meldrum`s acid derivatives after thermal decomposition gives substituted keteneswith stoichiometric yield, that can be trapped with various spectrum of nucleophiles likealcohols, thiols, amine, imines etc. In case of5-[3-(dimethylamino)-sulfanyl-propyliden]-2,2-dimethyl-1,3-dioxane-4,6-dione...
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublikacjaHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Machining process sequencing and machine assignment in generative feature-based CAPP for mill-turn parts
PublikacjaProcess selection and sequencing, as one of the most complex issues when evaluated from a mathematical point of view and crucial in CAPP, still attract research attention. For the current trend of intelligent manufacturing, machining features (MFs) are the information carriers for workpiece geometry and topology representation. They are basically derived from CAD models and are used by downstream engineering applications. A feature-based...
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Removal of diphenols using pine biochar. Kinetics, equilibrium, thermodynamics, and mechanism of uptake
PublikacjaThermal pyrolysis synthesized activated biochar from the Pinus elliottii sawdust (PS) at 600° C. The obtained activated biochar (PB600) was used for the removal of three diphenols, catechol (CAT), resorcinol (RES), and hydroquinone (HYD), which are utilized mainly in different industries. The PB600 was characterized by several analytical techniques. The BET surface area of 1473 m2.g−1 and a total pore volume of 0.707 cm3 g−1 was...
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Indywidualizm czy zespołowość - w jakich kategoriach myślimy o przedsiębiorczości
PublikacjaPrzedsiębiorczość to pojęcie, które zwykle rozpatruje się w kategoriach działań indywidualnych, realizowanych indywidulanie procesów czy przedsięwzięć. Jednocześnie podkreśla się rolę przedsiębiorcy, jako osoby zarządzającej zespołem i przy jego udziale uzyskującym założone cele. W literaturze pojawiają się zagadnienia związane z przedsiębiorczością zespołową i zespołami przedsiębiorczymi, których miejsce w tworzeniu firm i osiąganiu...
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Materials Science -- Classical Particle Approach (2022)
Kursy OnlineThis is the course webpage for Materials Science -- Classical Particle Approach.
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Prebiotics and probiotics in food
PublikacjaNowadays, food is not only used to satisfy hunger and is a source of nutrients, but is also considered a factor that directly affects human health. Consumers are looking for high-quality products that contain bioactive ingredients that affect the proper functioning of the body and good mood. Functional foods, which must exhibit health benefits when consumed as part of a balanced diet, are becoming increasingly popular among health-conscious...
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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublikacjaWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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Redefiniowanie przestrzeni medycznej = Redefining healthcare space
PublikacjaSzpital jest obiektem publicznym, budynkiem-miastem, jego architektura nakierowana jest na realizację procesu leczenia i zdrowienia, a jednocześnie formuje przestrzenne ramy mikrokosmosu interakcji społecznych rozgrywających się pomiędzy pacjentami i personelem, gośćmi i „mieszkańcami”. Współcześnie w podejściu do rozumienia czym jest szpital - a zatem również do kształtowania architektury obiektów medycznych - można zauważyć dwa...
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublikacjaThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Novel Biomass-Based Polymers: Synthesis, Characterization, and Application
PublikacjaA wide range of polymers were prepared from biomass-derivatives, using different polymerization mechanisms. Well-defined, fully hydroxy-functional polyesters based on aliphatic diols were synthesized, using either conventional metal-based catalysts or the organic superbase 1,5,7-triazabicyclododecene (TBD). Unsaturated polyesters were also made, offering additional functionality to these biobased resins. Metal-catalyzed or enzymatic...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublikacjaWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Intencje przedsiębiorcze studentów – analiza międzynarodowa oparta na rozszerzonym modelu Ajzena
PublikacjaPoszukiwanie czynników wpływających na rozpoczęcie działalności gospodarczej doczekało się opisu w wielu publikacjach. Nie ma wątpliwości, że czynnikiem kluczowym w procesie przedsiębiorczym są intencje, a dzięki pracom I. Ajzena wiadomo także, jakie grupy czynników wpływają na intencje. Jednak jego teoria planowanego zachowania wydaje się być niewystarczająca. Celem rozdziału było opracowanie propozycji rozszerzenia teorii Ajzena....
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Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics
PublikacjaThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...
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Quantum corrections to 4 model solutions and applications to Heisenberg chain dynamics
PublikacjaThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are valuated with account of rest d − 1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of space- time functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional...
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The need for linear revitalization. Gdynia case
PublikacjaThe aim of the article is to discuss the need of defining and implementation of the linear revitalization - the new approach related to the revitalization processes. The results of the preliminary investigations indicate that this kind of revitalization seems to be an important tool supporting city management and planning, especially in cases of cities fragmentation - causing lack of physical, social, economic and ecological cohesion....
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublikacjaThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...