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Search results for: nano-qsar
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A white phosphor based on oxyfluoride nano-glass-ceramics co-doped with Eu3+ and Tb3+: Energy transfer study
PublicationStrontium fluoride nanocrystals doped separately with Ln3+ = Eu3+ or Tb3+ ions (95SrF2·5LnF2), as well as co-doped with both the ions (95SrF2·Eu4Tb) were synthesized for comparison. Then, glass-ceramics consisting of the mono-doped or di-doped SrF2 nanocrystals incorporated into amorphous silica (90SiO2·9.5SrF2·0.5Ln or 90SiO2·9.5SrF2·0.1EuF3·0.4Tb) were prepared by sol-gel procedure. The studied materials were characterized by...
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Electronic conductivity in Na2O-FeO-P2O5 glasses. oz.
PublicationZbadano przewodnictwo stałe i zmiennoprądowe w szkłach: 50P2O5-(50-x)FeO-xNa2O i 50P2O5-(50-x)FeO-xCaO, gdzie x zmieniano od 7 do 20mol%. Wykazano,że zamiana CaO na Na2O w małym stopniu zmienia przewodnictwo elektryczne szkieł, co sugeruje, że przewodnictwo w szkłach zawierających Na2O ma charakter elektronowy. Do badania procesów migracji elektronów i jonów zastosowano metodę tarcia wewnętrznego. W widmie tarcia wewnętrznego...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublicationA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Application of reversed-phase thin layer chromatography and QSRR modelling for prediction of protein binding of selected β-blockers
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublicationTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Sonocatalytic degradation of tetracycline antibiotic using zinc oxide nanostructures loaded on nano-cellulose from waste straw as nanosonocatalyst
PublicationThe aim of the present investigation was the combination of ZnO nanostructures with nano-cellulose (NC) for the efficient degradation of tetracycline (TC) antibiotic under ultrasonic irradiation. The removal efficiency of 12.8% was obtained by the sole use of ultrasound (US), while the removal efficiency increased up to 70% by the US/ZnO treatment process. Due to the integration of ZnO nanostructures with NC, the removal efficiency...
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Toward mechanosynthesis of diamondoid structures: V. Silicon as the material of choice for preliminary implementation of intermediate generation of nano-machine systems
PublicationStosując ostatnio wprowadzony przez Drexlera ''moduł skalowany stałą sieciową'' KLM, porównano dwa potencjalne nano-materiały, krzem i diament. Szczegółowe porównanie właściwości fizycznych i chemicznych wykazuje, że krzem może być rozważany jako materiał z wyboru dla pierwotnej implementacji pośredniej generacji nano-systemów.
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How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach
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Preparation of methanation catalysts for high temperature SOEC by β-cyclodextrin-assisted impregnation of nano-CeO2 with transition metal oxides
PublicationThe aim of this work was to prepare and examine the catalytic activity of nanometric CeO2 decorated with transition metal oxides – Ni, Co, Cu, Fe and Mn – towards a high-temperature methanation process under SOEC CO2/H2O simulated co-electrolysis conditions. Samples were prepared using the wet impregnation method via the conventional process and with the addition of native cyclodextrin. The influence of β-cyclodextrin (βCD) onto...
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High resolution X-ray diffractometry and reflectometry of semiconductor nano- and micro- structures based on X-ray refractive optics
PublicationIn this thesis proposed, discussed and studied novel synchrotron X-ray diffractometry and reflectometry methods based on a refractive optics. The experimental results obtained from the ID06 beamline at ESRF, Grenoble, France are presented and analyzed in this work to demonstrate a high angular and space resolution in addition to the opportunity to manage in situ and on operando experiments with the help of proposed X-ray optical...
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Floodplain inundation Mapping using SAR Scattering Coefficient Thresholding and Observed Discharge Data
PublicationInundation area time series are important for wetlands monitoring and hydrological model validation. This study is conducted in Biebrza floodplain, which is a natural wetland with complex inundation generation processes. In order to map 2014-2018 series of inundation in the floodplain we test our automatic thresholding method on Sentinel 1 data. The threshold value is optimized using correlation of the inundation area with observed...
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Pomiar jakości usług edukacyjnych z wykorzystaniem metody Kano
PublicationJakość jest istotnym czynnikiem w działalności każdej organizacji, również placówek edukacyjnych. Powinna być objęta systematycznym pomiarem, mającym na celu ustalenie stopnia satysfakcji z oferowanych prduktów. Istnieje wiele metod pomiaru jakości usług. Artykuł przedstawia próbę identyfikacji cech jakości usług edukacyjnych z uwzgledneiem metody Kano. W wyniku uwzgledniono wpływ poszczególnych cech na rozmiar całkowitej satysfakcji...
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Predicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure–Property Relationship (QSPR) incorporating the influence of temperature on volatility
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Modeling of small molecule's affinity to phospholipids using IAM-HPLC and QSRR approach enhanced by similarity-based machine algorithms
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Development of Nanocomposite based Antimicrobial Cotton Fabrics Impregnated by Nano SiO2 Loaded AgNPs Derived from Eragrostis Teff straw
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Effect of nano-boron spraying on the concentration of some nutrients in leaves and dry matter of two Vicia faba L. (Partim) cultivars
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A facile hydrous mechano-synthesis of magnesium hydroxide [Hy-Mg(OH)2] nano fillers for flame-retardant polyester composites
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Insight into Potassium Vanadates as Visible-Light-Driven Photocatalysts: Synthesis of V(IV)-Rich Nano/Microstructures for the Photodegradation of Methylene Blue
PublicationPhotocatalysis is regarded as a promising tool for wastewater remediation. In recent years, many studies have focused on investigating novel photocatalysts driven by visible light. In this study, K2V6O16·nH2O nanobelts and KV3O8 microplatelets were synthesized and investigated as photocatalysts. Samples were obtained via the facile method based on liquid-phase exfoliation with ion exchange. By changing the synthesis temperature...
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Wpływ budowy złożonych warstw powierzchniowych i nano-warstw na trwałość kompozytów poliestrowo-szklanych w środowisku wodnym
PublicationModyfikacja nanocząstkami warstw laminatów stosowanych na małe jednostki pływające powinno spowodować korzystne zmiany morfologii mikrostruktury, podwyższyć odporność udarową i zwiększyć odporność na działanie wody. Celem naukowym pracy, dotyczącej degradacji kompozytów polimerowych stosowanych w budowie małych jednostek pływających, była charakterystyka porównawcza materiałów warstwowych aktualnie proponowanych przez przemysł...
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Nano Tin/Tin Oxide Attached onto Graphene Oxide Skeleton as a Fluorine Free Anode Material for Lithium-Ion Batteries
PublicationHerein, we show a composite formation method of tin/tin oxide nanoparticles with graphene oxide and CMC based on laser ablation technique as an electrode material for energy storage devices. The material exhibited a three-dimensional conducting graphene oxide network decorated with tin or tin oxide nanoparticles. The structure, homogeneous distribution of nanoparticles, and direct contact between inorganic and organic parts were...
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Characterization methods of nickel nano-particles obtained by the ex-solution process on the surface of Pr, Ni-doped SrTiO3 perovskite ceramics
PublicationIn this paper, a novel electrode material based on Pr, Ni co-doped strontium titanate ( Sr0.7Pr0.3)xTi1−yNiyO3 with constant amount of 30% praseodymium dopant, different amount of nickel (y = 0.06 and y = 0.10) and additional nonstoichiometry in Sr-site (x = 1; x = 0.9 and x = 0.8) was investigated as fuel electrode for SOEC devices. A porous ceramics were prepared by solid-state reaction method. X-ray diffraction measurements...
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Nonlocal Vibration of Carbon/Boron-Nitride Nano-hetero-structure in Thermal and Magnetic Fields by means of Nonlinear Finite Element Method
PublicationHybrid nanotubes composed of carbon and boron-nitride nanotubes have manifested as innovative building blocks to exploit the exceptional features of both structures simultaneously. On the other hand, by mixing with other types of materials, the fabrication of relatively large nanotubes would be feasible in the case of macroscale applications. In the current article, a nonlinear finite element formulation is employed to deal with...
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Synthesis and SAR-study for novel arylpiperazine derivatives of 5-arylidenehydantoin with α1-adrenoceptor antagonistic properties
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On the Role of Polarimetric Decomposition and Speckle Filtering Methods for C-Band SAR Wetland Classification Purposes
PublicationPrevious wetlands studies have thoroughly verified the usefulness of data from synthetic aperture radar (SAR) sensors in various acquisition modes. However, the effect of the processing parameters in wetland classification remains poorly explored. In this study, we investigated the influence of speckle filters and decomposition methods with different combinations of filter and decomposition windows sizes on classification accuracy....
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Systemy łączności dla potrzeb Morskiej Służby Poszukiwania i Ratownictwa SAR (Search And Rescue)
PublicationW artykule przedstawiono systemy łaczności alarmowej i operacyjnej SAR, dokonując krytycznej oceny aktualnego stanu łączności operacyjnej. W tym świetle scharakteryzowano konieczną modernizację tego stanu.
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Flood Classification in a Natural Wetland for Early Spring Conditions Using Various Polarimetric SAR Methods
PublicationAbstract--- One of the major limitations of remote sensing flood detection is the presence of vegetation. Our study focuses on a flood classification using Radarsat-2 Quad-Pol data in a natural floodplain during leafless, dry vegetation (early spring) state. We conducted a supervised classification of a data set composed of nine polarimetric decompositions and Shannon entropy followed by the predictors' importance estimation to...
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Electrical properties of Na2O-CaO-P2O5 glasses doped with SiO2 and Si3N4
PublicationSodium-calcium-phosphate glasses doped with SiO2 or Si3N4 having similar sodium ion concentrations were prepared by melt quenching. The conductivity was measured by impedance spectroscopy under nitrogen atmosphere in a wide frequency range (10 mHz–1 MHz) and wide temperature range (153–473 K). At 36.6 °C, DC conductivities of all glasses vary between 1.1 ∗ 10−12 and 8.9 ∗ 10−12 S cm−1 and have similar activation energies (between...
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Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available
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Effective SERS materials by loading Ag nanoparticles into poly(acrylic acid-stat-acrylamide)-block-polystyrene nano-objects prepared by PISA
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Comparative study of donor-induced quantum dots in Si nano-channels by single-electron transport characterization and Kelvin probe force microscopy
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Microbial acetylcholinesterase inhibitors for Alzheimer’s therapy: recent trends on extraction, detection, irradiation-assisted production improvement and nano-structured drug delivery
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Mechanical and thermo-mechanical properties of natural rubber composites filled with submicron- and nano-sized silica particles and prepared using glycolysate as a plasticizer
PublicationThe main aim of this work was to examine the selected mechanical and thermo-mechanical properties of natural rubber/silica composites prepared using glycolysate as a plasticizer. Prepared composites contained different amounts of submicron- (10, 15, 20 or 25 pphr) or nano-particles (0.5, 0.75, 1.0 or 1.25 pphr). The tensile properties, tear resistance, hardness, abrasion resistance and resilience of prepared materials were determined....
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Torsional stability capacity of a nano-composite shell based on a nonlocal strain gradient shell model under a three-dimensional magnetic field
PublicationThis paper considers a single-walled composite nano-shell (SWCNS) exposed in a torsional critical stability situation. As the magnetic field affects remarkably nanostructures in the small size, a three-dimensional magnetic field is assessed which contains magnetic effects along the circumferential, radial and axial coordinates system. Based on the results of the nonlocal model of strain gradient small-scale approach and the first-order...
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Direct QSPR: the most efficient way of predicting organic carbon/water partition coefficient (log K OC) for polyhalogenated POPs
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Flavonoids as tyrosinase inhibitors in in silico and in vitro models: basic framework of SAR using a statistical modelling approach
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Synthesis and SAR Studies of Antibacterial Peptidyl Derivatives Based upon the Binding Site of Human Cystatin C
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Effect of alumina oxide nano-powder on the wear behaviour of CrN coating against cylinder liner using response surface methodology: processing and characterizations
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GB-SAR in the Diagnosis of Critical City Infrastructure—A Case Study of a Load Test on the Long Tram Extradosed Bridge
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Investigation of cationic distribution, Y–K angles, and optical and dielectric properties of as-synthesized cerium-doped cobalt nano-ferrites prepared by co-precipitation method
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Activation of peroxymonosulfate using carbon black nano-spheres/calcium alginate hydrogel matrix for degradation of acetaminophen: Fe3O4 co-immobilization and microbial community response
PublicationHerein, we focused on the degradation of acetaminophen (ACT) drug in liquid phase by peroxymonosulfate (PMS) activated by carbon black nano-spheres (CBNS). The nanostructured activator was immobilized into calcium alginate hydrogel matrix (CAHM) to avoid the washout of the fine nanostructures. The Langmuir modeling showed an insignificant contribution to the adsorption process in the removal of ACT. The basic pH conditions favored...
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Chemometric modeling of aquatic toxicity of contaminants of emerging concern (CECs) in Dugesia japonica and its interspecies correlation with daphnia and fish: QSTR and QSTTR approaches
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Sano-Tachiya-Noolandi-Hong versus Onsager modelling of charge photogeneration in organic solids
PublicationW pracy obliczono numerycznie charakterystyki polowe wydajności fotogeneracji nośników ładunku na gruncie różnych wesrsji modeli Onsagera i Noolandiego-Honga. Wyznaczone krzywe teoretyczne porównano z wynikami doświadczalnymi uzyskanymi metodą elektromodulacji (foto)luminescencji (EML) dla próżniowo naparowanych warstw organicznych kompleksów Alq3 i Ir(ppy)3.
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Correction to: Investigation of cationic distribution, Y–K angles, and optical and dielectric properties of as-synthesized cerium-doped cobalt nano-ferrites prepared by co-precipitation method
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Designing a high-sensitivity dual-band nano-biosensor based on petahertz MTMs to provide a perfect absorber for early-stage non-melanoma skin cancer diagnostic
PublicationThe purpose of this study is development of a novel high-performance low-Petahertz (PHz) biosensor for non-melanoma skin cancer (NMSC) diagnosis. The presented device is designed to work within a microwave imaging regime, which is a promising alternative to conventional diagnostic methods such as visual examination, dermoscopy, and biopsy. The suggested biosensor incorporates a dual-band perfect absorber (operating bands at 0.909...
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A significance of multi slip condition for inclined MHD nano-fluid flow with non linear thermal radiations, Dufuor and Sorrot, and chemically reactive bio-convection effect
PublicationThe aim of this research is to discuss the significance of slip conditions for magnetized nanofluid flow with the impact of nonlinear thermal radiations, activation energy, inclined MHD, sorrot and dufour, and gyrotactic micro motile organisms over continuous stretching of a two-dimensional sheet. The governing equations emerge in the form of partial differential equations. Since the resultant governing differential equations...
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Hybrid metal and non-metal activation of Oxone by magnetite nanostructures co-immobilized with nano-carbon black to degrade tetracycline: Fenton and electrochemical enhancement with bio-assay
PublicationElectrochemically synthesized magnetite nanostructures (ESMNPs) as a metal activator and nano-carbon black (NCB) as a non-metal activator were co-immobilized by alginate natural polymer to activate Oxone for the degradation of tetracycline (TC) antibiotic. The formation of sulfate radical was indirectly confirmed during the Oxone/ESMNPs/NCB/alginate process via the addition of scavenging compounds. This study revealed the high...
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Effect of Nb and Al on in vitro dissolution behavior and structure of Na2O-MgO CaO-P2O5 glasses
PublicationIn vitro dissolution, structure, and thermal properties of the glass series Na2O-MgOsingle bondCaOsingle bondNb2O5 -Al2O3-P2O5 were studied. The dissolution behavior in phosphate-buffered saline (PBS) confirmed the potential bioactive properties of tested glasses. The dissolution process was found to depend on the Al, Nb, and Mg contents. Al, respectively, suppresses the Nb and accelerates the Mg release process from the glasses....
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DC and AC Conductivity, Biosolubility and Thermal Properties of Mg-Doped Na2O–CaO–P2O5 Glasses
PublicationBioactive glasses have recently been extensively used to replace, regenerate, and repair hard tissues in the human body because of their ability to bond with living tissue. In this work, the effects of replacing Na2O with MgO on the electrical, biosolubility, and thermal properties of the target glass 10Na2O–60P2O5–30CaO (in mol%) were investigated. The electrical properties of the glasses were studied with the impedance spectroscopy...
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Surface-enhanced Raman scattering (SERS) and tip-enhanced Raman scattering (TERS) in label-free characterization of erythrocyte membranes and extracellular vesicles at the nano-scale and molecular level
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Effect of Porosity on the Thermo-Mechanical Behavior of Friction-Stir-Welded Spark-Plasma-Sintered Aluminum Matrix Composites with Bimodal Micro- and Nano-Sized Reinforcing Al2O3 Particles
PublicationThe thermo-mechanical behavior of nanosized Al2O3 particles reinforcing aluminum was analyzed in the present paper. The material was prepared by spark plasma sintering and friction stir welding. The thermal stresses affecting the composite behavior during welding were modeled through COMSOL MultiPhysics, and the results were validated by the analyses of the composites’ mechanical properties. The spark-plasma-sintered materials...