Wyniki wyszukiwania dla: Functional analysis
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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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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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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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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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Regarding to functional outcomes after extracapsular dissection with partial facial nerve dissection for small and large parotid neoplasms
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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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Antioxidant potential, mineral composition and inhibitory effects of conifer needle extract on hyaluronidase - prospects of application in functional food
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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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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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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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<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part II: functional blocks</title>
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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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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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Physicochemical Characteristics of Porous Starch Obtained by Combined Physical and Enzymatic Methods, Part 1: Structure, Adsorption, and Functional Properties
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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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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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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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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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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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Functional and Declarative Programming in Education
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International Conference on Functional Programming
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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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Gluten-free bread enriched with whole-grain red sorghum flour gains favourable technological and functional properties and consumers acceptance
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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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Jarosław Bąkowski dr inż. arch.
Osobydr inż. arch. Jarosław Bąkowski, adiunkt w Studio Architektury Ochrony Zdrowia Katedry Architektury Miejskiej i Przestrzeni Nadwodnych Wydziału Architektury Politechniki Gdańskiej.Przedmiotem jego zainteresowań jest metodologia i problematyka programowania oraz projektowania budynków złożonych funkcjonalnie (zwłaszcza obiektów architektury służby zdrowia, w tym głównie szpitali). Prowadzi badania dotyczące optymalizacji procesu...
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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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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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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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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...
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Removal of Arsenic from Wastewater Using Hydrochar Prepared from Red Macroalgae: Investigating Its Adsorption Efficiency and Mechanism
PublikacjaArsenic (As) is a prominent carcinogen component produced via both geogenic and anthropogenic processes, posing serious risks to human health. This study aimed to investigate the potential of hydrochar prepared from red macroalgae for removing As from synthetic wastewater. The hydrochar was produced through 5 h hydrothermal carbonization (HTC) treatment at 200 °C, and then, chemically activated with ferric chloride hexahydrate...
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Functional Polymorphism in the Interleukin 6 (IL6) Gene with Respect to Depression Induced in the Course of Interferon-α and Ribavirin Treatment in Chronic Hepatitis Patients
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Comparative Proteomic Profiling of Ectosomes Derived from Thyroid Carcinoma and Normal Thyroid Cells Uncovers Multiple Proteins with Functional Implications in Cancer
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Triazoloacridone C-1305 abrogates the restriction checkpoint in cells lacking functional p53 and promotes their accumulation in the G2/M phase of the cell cycle
PublikacjaTriazoloakrydon C-1305, nowy inhibitor topoizomerazy II, wykazuje wysoką aktywość cytotoksyczną wobec komórek wielu typów nowotworów. Komórki mysie pozbawione genu PARP-1 wykazywały nadwrażliwość na działanie tego związku. W pracy testowaliśmy działanie związku wobec dwóch różnych komóek nowotworowych różniących się statusem p53: komórkami białaczki myelocytarnej HL-60 i raka sutka MCF-7. Wykazaliśmy, że inkubacja ze związkiem...
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Functional Properties and Antioxidant Activity of Morus alba L. Leaves var. Zolwinska Wielkolistna (WML-P)—The Effect of Controlled Conditioning Process
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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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Bezpieczeństwo funkcjonalne i ochrona informacji w obiektach i systemach infrastruktury krytycznej - analiza i ocena
PublikacjaW niniejszym rozdziale monografii przedstawiono bardzo aktualną problematykę związaną z analizą bezpieczeństwa funkcjonalnego rozproszonych systemów sterowania i automatyki zabezpieczeniowej w obiektach infrastruktury krytycznej, wykorzystujących przemysłową sieć komputerową, z uwzględnieniem zagadnień ochrony informacji. W obiektach tego typu systemy sterowania i automatyki zabezpieczeniowej są projektowane jako systemy rozproszone,...
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Obtaining and Characterization of the PLA/Chitosan Foams with Antimicrobial Properties Achieved by the Emulsification Combined with the Dissolution of Chitosan by CO2 Saturation
PublikacjaA new method of obtaining functional foam material has been proposed. The materials were created by mixing the poly lactic acid (PLA) solution in chloroform, chitosan (CS) dissolved in water saturated with CO2 and polyethylene glycol (PEG), and freeze-dried for removal of the solvents. The composite foams were characterized for their structural (SEM, FT-IR, density, porosity), thermal (DSC), functional (hardness, elasticity, swelling...
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Obtaining and Characterization of the PLA/Chitosan Foams with Antimicrobial Properties Achieved by the Emulsification Combined with the Dissolution of Chitosan by CO2 Saturation
PublikacjaA new method of obtaining functional foam material has been proposed. The materials were created by mixing the poly lactic acid (PLA) solution in chloroform, chitosan (CS) dissolved in water saturated with CO2 and polyethylene glycol (PEG), and freeze-dried for removal of the solvents. The composite foams were characterized for their structural (SEM, FT-IR, density, porosity), thermal (DSC), functional (hardness, elasticity, swelling...