Filtry
wszystkich: 900
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Wyniki wyszukiwania dla: Functional analysis
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Functional singlet oxygen generators based on porphyrazines with peripheral 2,5-dimethylpyrrol-1-yl and dimethylamino groups
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublikacjaHIV‐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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Microencapsulation of fish oil – determination of optimal wall material and encapsulation methodology
PublikacjaFor the first time, we present a meta-analysis of experimental and literature data to determine which microencapsulation methodology, and which wall material are best suited to protect fish oil. Our analysis covered a period of several decades of research (1984–2018). The analysis was conducted on 196 literature data-points, and 16 data-points determined experimentally for this publication. PLS regression was used to determine...
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Functional phase bistability in a nanocrystalline RbMn[Fe(CN)6] thin film fabricated by matrix-assisted laser evaporation
PublikacjaOne of the main barriers hindering applications of Prussian blue metal assemblies is their poor processability, which makes the fabrication of intact thin films very difficult. In this work, a nanocrystalline RbMn[Fe(CN)6]·xH2O film on silicon substrate was obtained for the first time via laser-stimulated deposition and investigated. Temperature-induced phase transition and bistability within broad hysteresis loop (120 K), along...
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Taksonomia funkcjonalnych kompetencji cyfrowych oraz metodologia pomiaru poziomu funkcjonalnych kompetencji cyfrowych ossb z pokolenia 50 plus (Taxonomy of Functional Digital Skills and Methodology for Measuring the Functional Level of Digital Literacy of People Aged 50 plus)
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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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Managing competence and certifying persons responsible for functional safety = Zarządzanie kompetencjami i certyfikacja osób odpowiedzialnych za bezpieczeństwo funkcjonalne
PublikacjaThis article emphasizes that knowledge and competences of managers, engineers and specialists dealing with safety-related technologies for hazardous industry should be appropriately shaped in the technical education processes and training programmes fulfilling some quality requirements and assessment criteria. It concerns especially persons dealing with the functional safety solutions in the design and operation of the electric,...
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Physicochemical and Volatile Compounds Analysis of Fruit Wines Fermented with Saccharomyces cerevisiae: FTIR and Microscopy Study with Focus on Anti-Inflammatory Potential
PublikacjaThe growing trend in fruit wine production reflects consumers’ interest in novel, diverse drinking experiences and the increasing demand for healthier beverage options. Fruit wines made from kiwi, pomegranates, and persimmons fermented using S. bayanus Lalvin strain EC1118 demonstrate the versatility of winemaking techniques. Kiwifruit, persimmon, and pomegranate wines were analyzed using HPLC and GC-TOFMS analyses to determine...
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Market orientation and hotel performance: The mediating effect of creative marketing programs
PublikacjaThis work investigates the indirect effects between market orientation and hotel performance through creative marketing programs. The focus is on exploring the indirect effects between 1) customer orientation, competitor orientation, and cross-functional integration; and 2) hotel financial performance through two aspects of creative marketing programs, namely, novelty and meaningfulness. Through an empirical analysis using structural equation...
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ENERGY ANALYSIS OF PROPULSION SHAFT FATIGUE PROCESS IN ROTATING MECHANICAL SYSTEM PART I TESTING SIGNIFICANCE OF INFLUENCE OF SHAFT MATERIAL FATIGUE EXCITATION PARAMETERS
PublikacjaThe article discusses the problem of mathematical modelling of energy conversion processes in a rotating mechanical system for the purpose of identifying fatigue states of propulsion shafts in this system. A simplified physical model of the analysed system, constructed in an appropriate scale, has made the basis for the experimental research. The research programme took into consideration mechanical fatigue excitation of the model...
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An Analysis of the Relationship between the Architecture and the Structure of a Vessel on the Example of the Reconstruction Design Process of the Historical Sailing Yacht "General Zaruski" Carried Out between 2009 and 2012
PublikacjaThe article analyzes the relation between architecture and structure of a vessel on the example of the reconstruction design of a wooden sailing yacht "General Zaruski" built in Ekanӓs, Sweden in 1939. Based on the documentation of "Kaparen" (sister yacht), "Mloda Gwardia" (ex "General Zaruski") and the reconstruction classification project made by the authors, the impact of functional, spatial and aesthetic design objectives (e.g....
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A method for preliminary estimation of the length of midship body block to be inserted during ship’s conversion
PublikacjaThe paper presents a method for preliminary estimation of the length of the midship body block, which inserted in the original hull, increases the deadweight of the ship in line with a required quantity. The method may be useful for establishing the scope of conversion to better adjust the ship for transportation tasks. The problem is formulated by using a mathematical model so selected that its solution, under set of assumptions,...
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Miasta na prawach powiatu z rozwiniętym przemysłem jako lokalne ośrodki rozwoju na obszarach peryferyjnych polskich regionów
PublikacjaMost of the growth factors is situated in big cities, especially in metropolitan areas. Questions arise: 1) Whether and what development factors are in the peripheral areas of voivodeships (i.e. outside the functional areas of their capitals)? 2) Can the industry be the driving force of the development of these areas? These questions are related to the discussion on the reindustrialisation of the European Union and the role of...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Uniqueness or uniformity - studies of media architecture
PublikacjaA development of media architecture is presented in light of to such phenomena as aesthetization, consumerism and digitization. This article deals with media architecture in commercial spaces. Media solutions impact on the architectural skin, making it into visible and dynamic points of the image of a post-modern city. This article presents the specificity of media solutions, depending on the function of commercial activity buildings...
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublikacjaThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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Duration of disability, functional independence, coping styles and the quality of life in patients with spinal cord injury – Pilot study
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Regarding to functional outcomes after extracapsular dissection with partial facial nerve dissection for small and large parotid neoplasms
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Determination of an adequate number of competitive functional models in the square Msplit(q) estimation with the use of a modified Baarda’s approach
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Large-scale converting waste coffee grounds into functional carbon materials as high-efficient adsorbent for organic dyes
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Effect of Inoculation with Probiotics and Ageing Time on Selected Functional Properties and Oxidation of Proteins in Dry-Cured Pork Loins
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Microstructure and functional properties of sorbitol-plasticized pea protein isolate emulsion films: Effect of lipid type and concentration
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Functional Bi2O3/Gd2O3 Silica-Coated Structures for Improvement of Early Age and Radiation Shielding Performance of Cement Pastes
PublikacjaThis study presents a new approach towards the production of sol-gel silica-coated Bi2O3/Gd2O3 cement additives towards the improvement of early mechanical performance and radiation attenuation. Two types of silica coatings, which varied in synthesis method and morphology, were used to coat Bi2O3/Gd2O3 structures and evaluated...
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Antioxidant potential, mineral composition and inhibitory effects of conifer needle extract on hyaluronidase - prospects of application in functional food
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Clay-filled starch films. Part I: Effect of clay kind and glycerol concentration on functional properties of composites
PublikacjaThe aim of this work was to improve the mechanical and water barrier properties of composite filmsprepared from starch and clays, plasticized with glycerol at different concentrations. The effects ofhydrophilic Closite Naþand Nanomer PGV were compared with that exerted by organicallymodifiedmorehydrophobicNanofil2 and NanoBent ZR-1. The antimicrobial activity of compositescontaining hydrophobic clays was also investigated. The hydrophilic...
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From Functional Requirements through Test Evaluation Design to Automatic Test Data Retrieval – a Concept for Testing of Software Dedicated for Hybrid Embedded Systems
PublikacjaFrom Functional Requirements through Test Evaluation Design to Automatic Test Data Retrieval – a Concept for Testing of Software Dedicated for Hybrid Embedded Systems
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ProSIL software for computer aided functional Safety management = Program komputerowy ProSIL do wspomagania zarządzaniem bezpieczeństwa funkcjonalnego
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Functional Similarities and Differences of an Archaeal Hsp70(DnaK) Stress Protein Compared with its Homologue from the Bacterium Escherichia coli
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Construction, purification, and functional characterization of His-tagged Candida albicans glucosamine-6-phosphate synthase expressed in Escherichia coli
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The Effects of Morus alba L. Fortification on the Quality, Functional Properties and Sensory Attributes of Bread Stored under Refrigerated Conditions
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Functional nuclear retention of pre-mRNA involving Cajal bodies during meiotic prophase in European larch (Larix decidua)
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Bulk processing of ZnO nanostructures via microwave assisted oxidation of mechanically seeded Zn dust for functional paints and coatings
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IR–Raman, NMR and density functional methods in the examination of tautomerism and features of N-methyl substituted 9-acridinamine derivatives
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<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part II: functional blocks</title>
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Physicochemical Characteristics of Porous Starch Obtained by Combined Physical and Enzymatic Methods, Part 1: Structure, Adsorption, and Functional Properties
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Cu-HKUST-1 and Hydroxyapatite–The Interface of Two Worlds toward the Design of Functional Materials Dedicated to Bone Tissue Regeneration
PublikacjaA novel composite based on biocompatible hydroxyapatite (HA) nanoparticles and Cu-HKUST-1 (Cu-HKUST-1@HA) has been prepared following a layer-by-layer strategy. Cu-HKUST-1 was carefully selected from a group of four Cu-based metal−organic frameworks as the material with the most promising antimicrobial activity. The formation of a colloidal Cu- HKUST-1 layer on HA nanoparticles was confirmed by various techniques, e.g., infrared...
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Low-Molecular Pyrazine-Based DNA Binders: Physicochemical and Antimicrobial Properties
PublikacjaPyrazine and its derivatives are a large group of compounds that exhibit broad biological activity, the changes of which can be easily detected by a substituent effect or a change in the functional group. The present studies combined theoretical research with the density functional theory (DFT) approach (B3LYP/6-311+G**) and experimental (potentiometric and spectrophotometric) analysis for a thorough understanding of the structure...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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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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Monitoring the gas turbine start-up phase on the platform using a hierarchical model based on Multi-Layer Perceptron networks
PublikacjaVery often, the operation of diagnostic systems is related to the evaluation of process functionality, where the diagnostics is carried out using reference models prepared on the basis of the process description in the nominal state. The main goal of the work is to develop a hierarchical gas turbine reference model for the estimation of start-up parameters based on multi-layer perceptron neural networks. A functional decomposition...
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The impact of technological and structural changes in the national economy on the labour-capital relations
PublikacjaThe aim of the research presented in this paper is to present the relations between labour and capital in the national economy, resulting from technological and structural changes taking place in the years 1991 to 2008. The structure of the paper is as follows. It first presents the functional determinants for the Polish economy in 1991-2008 affecting the phenomenon subject to study. Then it presents the preliminary analysis of...
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Human Factors in designing the Instrumentation and Control Systems Important to Safety
PublikacjaThis work addresses selected aspects of human factors in designing the instrumentation and control (I&C) systems important to safety as a part of the functional safety management of industrial hazardous plants, in particular nuclear power plants. As it is known in such plants a concept of “defence in depth” (D-in-D) is widely applied and some layers of protection are designed with regard to functional safety (FS) concept given...
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Do not die, become senescent: a new type of cellular resistance induced by topoisomerase II inhibitors in tumor cells with functional p53
PublikacjaJednym z efektów wywoływanych przez związki przeciwnowotworowe w komórkach nowotworowych jest trwałe zahamowanie wzrostu, związane z pojawieniem się markerów procesu starzenia komórkowego. Proponuje się, że może to być nowy sposób na zahamowanie postępu choroby nowotworowej. W naszych badaniach wykazujemy, że zahamowanie wzrostu indukowane przez związki z grupy inhibitorów topoizomerazy II w komórkach raka płuc A549 jest związane...
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Weryfikacja Poziomów Nienaruszalności Bezpieczeństwa z uwzględnieniem Zagadnień Ochrony Informacji
PublikacjaNiniejszy rozdział poświęcono wybranym istotnym zagadnieniom analizy bezpieczeństwa funkcjonalnego, w szczególności weryfikacji poziomów nienaruszalności bezpieczeństwa SIL funkcji bezpieczeństwa implementowanych w rozproszonych systemach sterowania i zabezpieczeń z uwzględnieniem zagadnień ochrony informacji. Zaproponowano metodę opartą na informacji ilościowej i jakościowej do weryfikacji SIL (IEC 61508, 61511) z uwzględnieniem...
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Magnetic switching of Kerker scattering in spherical microresonators
PublikacjaMagneto-optical materials have become a key tool in functional nanophotonics, mainly due to their ability to offer active tuning between two different operational states in subwavelength structures. In the long-wavelength limit, such states may be considered as the directional forward- and back-scattering operations, due to the interplay between magnetic and electric dipolar modes, which act as equivalent Huygens sources. In this...
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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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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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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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Cast polyurethanes obtained from reactive recovered polyol intermediates via crude glycerine decomposition process
PublikacjaIn this work, the possibility of applying intermediates from polyurethane waste recycling in polyurethane synthesis was presented. Polyurethanes were synthesised in a two-step method using a mixture of petrochemical polyol and glycerolysate, used as a reactive component, 4,4-diphenylmethane diisocyanate (MDI) and 1,4-buthanediol (BD). Glycerolysates were produced during decomposition of polyurethane elastomer by crude glycerine...