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Wyniki wyszukiwania dla: TD-DFT
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Development, characterization and evaluation of composite adsorbent for the adsorption of crystal violet from aqueous solution: Isotherm, kinetics, and thermodynamic studies
PublikacjaThe purpose of this work focuses on the production and investigations of a new composite material as alternative low-cost adsorbent for the removal of crystal violet (CV) dye from waste solution. The production method was performed by in-situ thermal activation technology via extrusion process of polymer wastes containing tire rubber (50 wt%) and polyurethane foam (50 wt%) using single-screw extruder under processing temperature...
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How can the work environment be redesigned to enhance the well-being of individuals with autism?
PublikacjaPurpose – This article examines the opportunities to create optimal conditions for individuals with autism, to work successfully within the contemporary workplace and improve their well-being. These opportunities arise from digital technology (DT) development, enabling the work environment to be remodeled by providing new possibilities and ways of working. The author discusses both technology-based as well as non-technological accommodations...
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The correlation of fractal dimension to fracture surface slope for fatigue crack initiation analysis under bending-torsion loading in high-strength steels
PublikacjaIn this study, the fractal dimension of fatigue fracture surfaces is investigated in order to find an alternative failure loading indicator. Some of many metrological factors are generalized by reducing the fracture surface structure to one factor and develop an entire fracture surface procedure by analyzing the impact of surface slope and calculation resolution. Three notched geometries are studied under cyclic bending-torsion:...
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The New Test Procedure for Group-Type Composition of Base Oils of Lubricating Oils, Especially Emitted into the Environment
PublikacjaMineral base oil, a product of multistep fine refining of the relevant fractions from vacuum distillation of crude oil, is a main component of so-called mineral lubricating oils containing aliphatic and alicyclic substituted aromatic hydrocarbons, i.e., derivatives of benzene and biphenyl. Mineral lubricating oil is composed mostly of mineral base oil and a low amount of enriching additives, most often products of advanced organic...
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Superhydrophobic sponges based on green deep eutectic solvents for spill oil removal from water
PublikacjaThe paper described a new method for crude oil-water separation by means of superhydrophobic melamine sponges impregnated by deep eutectic solvents (MS-DES). Due to the numerous potential of two-component DES formation, simple and quick screening of 156 non-ionic deep eutectic solvents using COSMO-RS (Conductor-like Screening Model for Real Solvents) computational model was used. DES which were characterized by high solubility...
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Simultaneous voltammetric determination of Cd2+, Pb2+, and Cu2+ ions captured by Fe3O4@SiO2 core-shell nanostructures of various outer amino chain length
PublikacjaIn the present study, we examined a novel functionalised magnetic nanoparticles Fe3O4@SiO2-Nn as a nano adsorbent for binding of Cd2+, Pb2+, Cu2+ ions in an aqueous solution. First, we obtained the nanoparticles functionalised with various carbon chains containing different number of amino groups: (3-amino)propyltriethoxysilane (Fe3O4@SiO2-N1), N-(2-aminoethyl)-3-aminopropyltrimethoxysilane (Fe3O4@SiO2-N2) and N1-(3-trimethoxysilylpropyl)diethylenetriamine...
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Identification and characterization of single-stranded DNA-binding protein from the facultative psychrophilic bacteria Pseudoalteromonas haloplanktis
PublikacjaSingle-stranded DNA-binding protein (SSB) plays an important role in DNA metabolism such as DNAreplication, repair, and recombination, and is essential for cell survival. This study reports on the ssb-likegene cloning, gene expression and characterization of a single-stranded DNA-binding protein of Pseudoal-teromonas haloplanktis (PhaSSB) and is the first report of such a protein from psychrophilic microorganism.PhaSSB possesses...
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Jedno- i wielordzeniowe heteroleptyczne silanotiolany Co(II) i Ni(II) - badania strukturalne, spektroskopowe i magnetyczne
PublikacjaDoniesienia literaturowe wskazują na możliwość zastosowania związków kompleksowych Co(II) i Ni(II) jako jednocząsteczkowe magnesy molekularne (SMM). Wysiłki naukowców skupiają się na poznaniu zależności pomiędzy strukturą molekularną związków, a ich właściwościami magnetycznymi. Znane są przykłady związków typu SMM opartych na jonach Co(II) i Ni(II), w których metal koordynowany jest przez miękkie S-donorowe ligandy tiolanowe,...
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Nutritional and Pharmaceutical Properties of Bioactive Compounds in Organic and Conventional Growing Kiwifruit
PublikacjaThe bioactivity of two kiwifruit’s cultivars growing under organic and conventional conditions were studied and compared. The bioactive compounds were extracted with water and ethanol using similar conditions which are applied in pharmaceutical applications and for daily fruit consumption such as tea drink. Antioxidant radical scavenging assays [ferric-reducing/antioxidant power (FRAP); cupric reducing antioxidant capacity (CUPRAC);...
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Novel decahedral TiO2 photocatalysts modified with Ru or Rh NPs: Insight into the mechanism
PublikacjaNovel decahedral TiO2 modified with Ru or Rh NPs were successfully synthesized by hydrothermal method. The effect of metal type as well as amount of noble metal precursor (0.05, 0.1, 0.2, 0.3 and 0.5 wt.%) on the photocatalytic activity were investigated. Decahedral TiO2 decorated by Ru and Rh nanoparticles was prepared by photodeposition method, whereas Rh doped TiO2 was obtained by onestep hydrothermal method with introduction...
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Natural convection in symmetrically heated vertical channels
PublikacjaThe study describes natural convection through a vertical channel, open on four sides and bound by two isothermal walls. Both balancing and infrared experimental investigations were performed in air (Pr = 0.71) to estimate the impact of channel width s and wall-to-ambient temperature difference (tw - t∞) on natural convective heat transfer, the formation of air flow patterns and the rate of flow pattern formation. The study was...
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Partial characterization of indigo (Polygonum tinctorium Ait.) plant seeds and leaves
PublikacjaThe aim of this study was to assess the contents of indigo's bioactive compounds, its antioxidant and anticancer activities in acetone, hexane and DMSO extracts and to compare the overall bioactivity with another more used medicinal plant named prolipid. It was found that the contents of the bioactive compounds in the studied extracts from different parts of indigo plant varied (P < 0.05): the significantly highest content of polyphenols...
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Anticancer Study on IrIII and RhIII Half-Sandwich Complexes with the Bipyridylsulfonamide Ligand
PublikacjaTwo non-platinum compounds, organometallic half-sandwich complexes [(η 5 -Cp)IrCl(L)]PF 6 (1) and [(η 5 -Cp)RhCl(L)]PF 6 (2) were prepared by treating pentamethylcyclopentadienyl chloride dimers of iridium(III) or rhodium(III) with the obtained 4-amino-N-(2,2'-bipyridin-5- yl)benzenesulfonamide ligand (L) and ammonium hexafluorophosphate. The crystal structures of ligand (L) and complexes 1 and 2 were obtained and then analyzed. Coordination...
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NUTRITIONAL AND PHARMACEUTICAL APPLICATIONS OF BIOACTIVE COMPOUNDS IN TROPICAL FRUITS
PublikacjaDuring the past two decades our international scientific group investigated in vitro the physicochemical and nutritional characteristics of some cultivars of durian at various stages of ripening, mangosteen and new cultivars of snake fruit in comparison with widely used avocado, kiwifruit and mango, and in vivo their influence on laboratory animals. The main objective of the present study was to screen and compare the properties...
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Efficient Extraction of Fermentation Inhibitors by Means of Green Hydrophobic Deep Eutectic Solvents
PublikacjaThe methods for hydrogen yield efficiency improvements, the gaseous stream purification in gaseous biofuels generation, and the biomass pretreatment are considered as the main trends in research devoted to gaseous biofuel production. The environmental aspect related to the liquid stream purification arises. Moreover, the management of post-fermentation broth with the application of various biorefining techniques gains importance....
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TiO2 /SrTiO3 and SrTiO3 microspheres decorated with Rh, Ru or Pt nanoparticles: Highly UV–vis responsible photoactivity and mechanism
PublikacjaA series of TiO2/SrTiO3 and SrTiO3 microspheres decorated by Rh, Ru or Pt NPs were prepared by facile hydrothermal method. The as-prepared samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) with energy-dispersive Xray (EDX) spectroscopy, scanning electron microscopy (SEM), photoluminescence spectrometry (PL), Fourier transform infrared (FT-IR) and...
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Preclusion of irreversible destruction of Dr adhesin structures by a high activation barrier for the unfolding stage of the fimbrial DraE subunit
PublikacjaFimbrie Dr uropatogennych szczepów Escherichia coli stanowią przykład eksponowanych powierzchniowo struktur adhezyjnych podlegających biogenezie według zakonserwowanego, pośród bakterii Gram-ujemnych, systemu "chaperone-usher" ("białko opiekuńcze-zewnątrzbłonowe białko kanałowe"). Powyższe struktury adhezyjne są niezbędne w procesie specyficznej adhezji bakterii do receptorów zlokalizowanych na powierzchni docelowych komórek gospodarza....
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Analysis of the Possibility of Using New Types of Protective Coatings and Abrasion-Resistant Linings under the Operating Conditions of the Spiral Classifier at KGHM Polska Miedź S.A. Ore Concentration Plant
PublikacjaA study was carried out to select the appropriate coatings for corrosion protection of the spiral classifier working at KGHM Polska Miedź S.A. Ore Concentration Plant. The abrasion resistance of selected protective coatings and wear-resistant linings was investigated using a DT-523 rotary abrasion tester with Taber CS-10 rubber abrasive discs. The average weight loss of the coatings after a cycle of 2000 revolutions was determined....
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Comparison of Cadmium Cd2+ and Lead Pb2+ Binding by Fe2O3@SiO2‐EDTA Nanoparticles – Binding Stability and Kinetic Studies
PublikacjaThis study describes the synthesis and characterization of ethylenediaminetetraacetic acid (EDTA) functionalized magnetic nanoparticles of 20 nm in size – Fe3O4@SiO2‐EDTA – which were used as a novel magnetic adsorbent for Cd(II) and Pb(II) binding in aqueous medium. These nanoparticles were obtained in two‐stage synthesis: covering by tetraethyl orthosilicate and functionalization with EDTA derivatives. Nanoparticles were characterized...
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Medium-Voltage Drives: Challenges and existing technology
PublikacjaThe article presents an overview of state-of-art solutions, advances, and design and research trends in medium-voltage (MV) drive technologies - and also discusses the challenges and requirements associated with the use of such drives. The choice and deployment of MV drives in industries are associated with numerous requirements related to the front-end converter (grid side) and inverter (machine side). The focus is on solutions...
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Novel DNA-binding protein from Nanoarchaeum equitans Kin4-M binds all kinds of nucleic acids
PublikacjaNanoarchaeum equitans is the only known representative of Archaea phylum Nanoarchaeota and stands out as one of the tiniest known living organism. What is more it has smallest genome, which is only 490.885 base pairs long. It is also one of the most compact genomes. According to predictions about 95% of the DNA encodes proteins or stable RNA. Nanoarchaeum equitans lacks genes for most vital metabolic pathways including lipid, cofactor,...
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Empirical analysis of tree-based classification models for customer churn prediction
PublikacjaCustomer churn is a vital and reoccurring problem facing most business industries, particularly the telecommunications industry. Considering the fierce competition among telecommunications firms and the high expenses of attracting and gaining new subscribers, keeping existing loyal subscribers becomes crucial. Early prediction of disgruntled subscribers can assist telecommunications firms in identifying the reasons for churn and...
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Molecular transformation of dissolved organic matter in manganese ore-mediated constructed wetlands for fresh leachate treatment
PublikacjaThe organic matter (OM) and nitrogen in Fresh leachate (FL) from waste compression sites pose environmental and health risks. Even though the constructed wetland (CW) can efficiently remove these pollutants, the molecular-level transformations of dissolved OM (DOM) in FL remain uncertain. This study reports the molecular dynamics of DOM and nitrogen removal during FL treatment in CWs. Two lab-scale vertical-flow CW systems were...
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TIME- AND FREQUENCY-DOMAIN QUASI-2D SMALL-SIGNAL MOSFET MODELS
PublikacjaA novel approach to small-signal MOSFET modeling is presented in this book. As a result, time- and frequency-domain physics-based quasi-2D NQS four-terminal small-signal MOSFET models are proposed. The time-domain model provides the background to a novel DIBL-included quasi‑2D NQS four-terminal frequency-domain small-signal MOSFET model. Parameters and electrical quantities of the frequency-domain model are described by explicit...
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Development of biocompatible iron oxide-silicon oxide core-shell nanoparticles as subcellular delivery platform for glucosamine-6-phosphate synthase inhibitors
PublikacjaIn order to develop the preparation of iron oxide-silica coreshell nanoparticles (CSNPs), thesis deeply explores the cetyltrimethylammonium (CTA+) directed silica coating methods of the oleic-acid capped iron oxide nanoparticles (OA-IONPs) initialized under near-neutral pH conditions. It is demonstrated that the initial alkaline hydrolysis of ethyl acetate in the presence of CTA+ and OA-IONPs induces an unusual ligand exchange...
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Modyfikacja β-cyklodekstryny w celu uzyskania pH czułego nośnika leków antracyklinowych
PublikacjaW 2012 roku 68% zgonów było spowodowanych przez choroby niezakaźne takie, jak nowotwory, choroby układu krążenia, przewlekłe choroby układu oddechowego [1]. Zgodnie z danymi Światowej Organizacji Zdrowia (ang. World Health Organization, WHO) w 2012 roku 32,6 miliona osób cierpiało z powodu chorób nowotworowych, a 8,2 miliona zmarło z ich powodu [2]. Szacowane jest, że z roku na rok odsetek osób chorujących na choroby nowotworowe...
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Development of Biocompatible Fe3O4@SiO2 Nanoparticles as Subcellular Delivery Platform for Glucosamine-6-phosphate Synthase Inhibitors
PublikacjaNumerous inhibitors of glucoseamine-6-phophate synthase (GlcN-6-P), the enzyme responsible from catalysis of the first step of metabolic pathway leading to metabolism 5’-diphospho-N-acetyl-D- glucosamine, were reported as effective agents for inhibiting the growth of various fungal pathogens. Among the reported inhibitors,...
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Effect of COVID-19 pandemic lockdowns on planned cancer surgery for 15 tumour types in 61 countries: an international, prospective, cohort study
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Outcomes of gynecologic cancer surgery during the COVID-19 pandemic: an international, multicenter, prospective CovidSurg-Gynecologic Oncology Cancer study
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