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Wyniki wyszukiwania dla: TRIPLETY GUANINOWE
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublikacjaTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Optoelectronic properties of curved carbon systems
PublikacjaSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
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Expedited EM-driven multi-objective antenna design in highly-dimensional parameter spaces
PublikacjaA technique for low-cost multi-objective optimization of antennas in highly-dimensional parameter spaces is presented. The optimization procedure is expedited by exploiting fast surrogate models, including coarse-discretization EM antenna simulations and response surface approximations (RSA). The latter is utilized to yield an initial set of Pareto non-dominated designs which are further refined using response correction methods....
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Why Are Left-Handed G-Quadruplexes Scarce?
PublikacjaG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublikacjaThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
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Doskonalenie relacji uniwersytetu z otoczeniem na przykładzie wybranych uczelni technicznych
PublikacjaAutor stawia tezę, że implementacja modelu potrójnej spirali (triple helix), budowania ścisłych, wzajemnych relacji uczelni z otoczeniem będzie sprzyjać doskonaleniu zarządzania wiedzą w uniwersytecie i jego ewolucji w kierunku organizacji opartej na wiedzy i realizacji trzeciej misji uczelni. Autor przedstawia opinie rektorów wybranych uczelni technicznych o roli konwentów, których jednš z ról jest urzeczywistnianie trzeciej misji...
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A cryptic ribosome binding site, false signals in reporter systems and avoidance of protein translation chaos
PublikacjaThe expression of reporter gene may be induced by activation of cryptic signalling sequences, as we found while constructing the mutS-lacZ fusion gene. We cloned the Escherichia coli lacZ gene encoding beta-galactosidase into a plasmid vector carrying the Thermus thermophilus mutS gene. The clones expected to produce beta-galactosidase as the C-terminal fusion were selected for the complementation of beta-galactosidase activity...
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Magnetic field effects in dye-sensitized and organic solar cells
PublikacjaThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Dimensional Synthesis of Coupled-Resonator Pseudoelliptic Microwave Bandpass Filters with Constant and Dispersive Couplings
PublikacjaIn this paper, we propose a novel technique for the dimensional synthesis of coupled-resonator pseudoelliptic microwave filters with constant and dispersive couplings. The proposed technique is based on numerical simulations of small structures, involving up to two adjacent resonators, and it accounts for a loading effect from other resonators by replacing them with terminations coupled through appropriately scaled inverters. The...
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublikacjaOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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Impact of the Kanban Maturity Model on a Team’s Agile Transformation: Tripling Throughput and Elevating Quality in Three Months
PublikacjaAgile transformations have been a significant challenge since the beginning of the agile movement, with numerous researchers and practitioners suggesting various structured approaches and guidelines. The Kanban Maturity Model (KMM) is a relatively new approach that focuses on assessing the current maturity level of an organisation, with an emphasis on a spectrum of Kanban practices. This paper presents the initial results of applying...
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Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space
PublikacjaThis research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho- isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ~ 106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ∆EST and maximum SOC (spin-orbit...
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An investigation on residual stress and fatigue life assessment of T-shape welded joints
PublikacjaThis paper aims to quantitatively evaluate the residual stress and fatigue life of T-type welded joints with a multi-pass weld in different direction. The main research objectives of the experimental test were to test the residual stress by changing direction along with multiple wielding passes and determine the fatigue life of the welded joints. The result shows that compressive residual stress increases in the sample gradually...
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Cryptographic Protocols' Performance and Network Layer Security of RSMAD
PublikacjaW artykule omówiono architekturę bezpieczeństwa warstwy sieciowej Radiowego Systemu Monitorowania i Akwizycji Danych z urządzeń fotoradarowych (w skrócie RSMAD). Bezpieczeństwo w warstwie sieciowej tego systemu jest zapewniane przede wszystkim dzięki wykorzystaniu Virtual Private Network (w skrócie VPN). W tym celu zaimplementowano dwa protokoły IPsec i L2TP.Zastosowane mechanizmy ochrony danych, w tym typy i parametry VPNów zostały...
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Corrigendum to “An investigation on residual stress and fatigue life assessment of T-shape welded joints” [Eng. Fail. Anal. 141 (2022) 106685]
PublikacjaThis paper aims to quantitatively evaluate the residual stress and fatigue life of T-type welded joints with a multi-pass weld in different direction. The main research objectives of the experimental test were to test the residual stress by changing direction along with multiple wielding passes and determine the fatigue life of the welded joints. The result shows that compressive residual stress increases in the sample gradually...
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Novel Nonlinear High Order Technologies for Damage Diagnosis of Complex Assets
PublikacjaFor the first time worldwide, innovative techniques, generic non-linear higher-order unnormalized cross-correlations of spectral moduli, for the diagnosis of complex assets, are proposed. The normalization of the proposed techniques is based on the absolute central moments, that have been proposed and widely investigated in mathematical works. The existing higher-order, crosscovariances of complex spectral components are not sufficiently...
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Spurious Modes in Model Order Reduction in Variational Problems in Electromagnetics
PublikacjaIn this work, we address an everlasting issue in 2 model order reduction (MOR) in electromagnetics that has 3 remained unnoticed until now. Contrary to what has been 4 previously done, we identify for the very first time spurious 5 modes in MOR for time-harmonic Maxwell’s equations and 6 propose a methodology to remove their negative influence on the 7 reduced order model (ROM) response. These spurious modes 8 have nonzero resonance...
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Numerical Study of the Impinging Jets Formed by an Injector with Different Nozzle Diameters
PublikacjaThe collision of two or more liquid jets may provide considerable atomisation and efficient mixing of injected substances at the same time. This phenomenon is used, among others, in rocket engines, where the fuel and oxidiser are introduced separately and almost immediately mixed through self-impingement. Depending on the injection and operating conditions, diverse configurations of impinging jets are used, such as doublets,...
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Accelerated Re-Design of Antenna Structures Using Sensitivity-Based Inverse Surrogates
PublikacjaThe paper proposes a novel framework for accelerated re-design (dimension scaling) of antenna structures using inverse surrogates. The major contribution of the work is a sensitivity-based model identification procedure, which permits a significant reduction of the number of reference designs required to render the surrogate. Rigorous formulation of the approach is supplemented by its comprehensive numerical validation using a...
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublikacjaThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
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Luminescent properties of Ln3+ doped tellurite glasses containing AlF3
PublikacjaThe low-phonon energy tellurite glasses TeO2-BaO-Bi2O3 and TeO2-BaO-Bi2O3-AlF3 triply doped with Eu3+, Tb3+, Tm3+ ions in two different molar ratios were synthesized using melt-quenching technique. Their structure and luminescence properties were widely investigated by X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIR) and Photoluminescence Spectroscopy (PL). The luminescence...
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Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublikacjaNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
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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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In-Out Surface Modification of Halloysite Nanotubes (HNTs) for Excellent Cure of Epoxy: Chemistry and Kinetics Modeling
PublikacjaIn-out surface modification of halloysite nanotubes (HNTs) has been successfully performed by taking advantage of 8-hydroxyquinolines in the lumen of HNTs and precisely synthesized aniline oligomers (AO) of different lengths (tri- and pentamer) anchored on the external surface of the HNTs. Several analyses, including FTIR, H-NMR, TGA, UV-visible spectroscopy, and SEM, were used to establish the nature of the HNTs’ surface engineering....
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Photochemical and thermal reaction of intermediates in the phenylnitrene rearangment inside a hemicarcerand
PublikacjaBroadband irradiation (λ > 320 nm) of hemicarceplex H1 between −74 °C and −84 °C, produces encapsulated didehydroazepine (2), triplet phenylnitrene (3PN), 2-azabicyclo[3.2.0]hepta-1,3,6-triene (6), and 4-azaspiro[2.4]hepta-1,4,6-triene (7). The highly strained anti-Bredt imine 6 is formed from 2 via a photochemical four-electron electrocyclization. Under the irradiation conditions, 6 rearranges further to azaspirene 7. In addition,...
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublikacjaImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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Determination of equivalent axle load factors with the use of strain energy of distortion
PublikacjaThe paper proposes a new method for calculation of equivalent axle load factors based on the analysis of strain energy of distortion induced in road pavements by traffic loads. The main advantage of the method is the more accurate calculation of the effects of multiple axles and super single versus dual tyres. The methodconsiders the location of critical points, at which strain energy of distortion reaches extreme values. When...
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A BODIPY‐Based Molecular Rotor in Giant Unilamellar Vesicles: A Case Study by Polarization‐Resolved Time‐Resolved Emission and Transient Absorption Spectroscopy
PublikacjaBODIPY and BODIPY-derived systems are widely applied as fluorophores and as probes for viscosity detection in solvents and biological media. Their orientational and rotational dynamics in biological media are thus of vital mechanistic importance and extensively investigated. In this contribution, polarization-resolved confocal microscopy is used to determine the orientation of an amphiphilic BODIPY-cholesterol derivative in homogeneous...
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Core-Shell Nanoparticles with Hyperbranched Poly(arylene-oxindole) Interiors
PublikacjaCore-shell type star polymers composed of poly(tert-butyl acrylate) (poly(t-BuA)) arms and 100% hyperbranched poly(arylene-oxindole) interiors were synthesized via the "core-first" method. Atom transfer radical polymerization of t-BuA initiated by 2-bromopropionyl terminal groups of the hyperbranched core was applied for the synthesis of the stars. The resultant star structures were characterized by gel permeation chromatography...
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A new quaternion-based encryption method for DICOM images
PublikacjaIn this paper, a new quaternion-based lossless encryption technique for digital image and communication on medicine (DICOM) images is proposed. We have scrutinized and slightly modified the concept of the DICOM network to point out the best location for the proposed encryption scheme, which significantly improves speed of DICOM images encryption in comparison with those originally embedded into DICOM advanced encryption standard...
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Structural and luminescence properties of B2O3-Bi2O3-AlF3 glass doped with Eu3+, Tb3+ and Tm3+ ions
PublikacjaThe B2O3-Bi2O3-AlF3 glass system doped with Eu3+, Tb3+, Tm3+ and triply doped with Eu3+/Tm3+/Tb3+ ions in different molar ratios were successfully synthesized. Glass transition and crystallization temperatures were examined by Differential Scanning Calorimetry (DSC) measurements. X-ray Diffraction (XRD) confirmed the amorphous character of the samples. Fourier Transform Infrared Spectroscopy (FTIR) revealed that the glass matrix...
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Effect of MgSO4 nutrition on Theobroma cacao L. susceptibility to Phytophthora megakarya infection
PublikacjaA new strategy to reduce the severity of black pod disease (BPD) in T. cacao plants using MgSO4 nutrition was investigated. The dynamics of the tolerance to BPD of 18 susceptible T. cacao plantlets coming from the cross (♀SNK64 × ♂UPA14) was monitored during weekly (8 weeks) supply of MgSO4 into the soil. Prior to MgSO4 application, disease scores of the 18 plantlets (in six sets of three plantlets per set) were varying between...
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Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublikacjaOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...
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Multiple output CMOS current amplifier
PublikacjaIn this paper the multiple output current amplifier basic cell is proposed. The triple output current mirror and current follower circuit are described in detail. The cell consists of a split nMOS differential pair and accompanying biasing current sources. It is suitable for low voltage operation and exhibits highly linear DC response. Through cell devices scaling, not only unity, but also any current gains are achievable. As...
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Secure Quaternion Feistel Cipher for DICOM Images
PublikacjaAn improved and extended version of a quaternion-based lossless encryption technique for digital image and communication on medicine (DICOM) images is proposed. We highlight and address several security flaws present in the previous version of the algorithm originally proposed by Dzwonkowski et al. (2015). The newly proposed secure quater- nion Feistel cipher (S-QFC) algorithm...
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Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublikacjaThis study addresses the problem of explicit size reduction of multi-band antennas by means of simulation-driven optimisation. The principal difficulty of electromagnetic (EM)-based miniaturisation of multi-band antennas is that several resonances have to be controlled independently (both in terms of their frequency allocation and depth) while attempting to reduce physical dimensions of the structure at hand. The design method...
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INNOVATIVE THERMODYNAMICAL CYCLES BASED ON ENHANCEMENT MASS, MOMENTUM, ENTROPY AND ELECTRICITY TRANSPORT DUE TO SLIP, MOBILITY, TRANSPIRATION, ENTROPY AND ELECTRIC JUMPS AS WELL AS OTHER NANO-FLOWS PHENOMENA
PublikacjaIn our work, a further development of the authors model of thermo-chemical flow of fuel, air, oxygen, steam water, species, ionic and electron currents within nano channels and nano-structures of novel devices is presented. Different transport enhancement models are taken into account -among them the most important are: the velocity slip connected with complex external friction, the Darcy mobility and the Reynolds transpiration....
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Thermal Energy Storage with PCMs in Shell-and-Tube Units: A Review
PublikacjaThe paper presents a survey of the experimental and numerical studies of shell-and-tube systems in which phase change material (PCM) is used. Due to the multitude of design solutions for shell-and-tube systems, the emphasis is placed on double-tube (DT), triplex-tube (TT), and multitube (MT) units. Additionally, only single-pass systems are considered. Particular attention is paid to the method of heat transfer intensification....
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Phosphanylphosphido and phosphanylphosphinidene complexes of zirconium(IV) supported by bidentate N,N ligands
PublikacjaPhosphanylphosphido complexes of zirconium, [NacNacZrCl2(η2-R2P–PSiMe3)] (R = t-Bu, i-Pr), were synthesized in the reaction of R2P–P(SiMe3)Li·nTHF (R = t-Bu, i-Pr) with a β-diketiminate complex, [NacNacZrCl3], in toluene. Elimination of Me3SiCl from [NacNacZrCl2(η2-R2P–PSiMe3)] provided the phosphanylphosphinidene complexes [NacNacZrCl(η2-R2P–P)] (R = t-Bu, i-Pr). Moreover, the reaction of [NacNacZrCl2(η2-R2P–PSiMe3)] with R2P–P(SiMe3)Li·nTHF...
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Effects of thermal history on the performance of low-temperature solid oxide fuel cells with Sm0.2Ce0.8O2-δ electrolyte and LiNi0.81Co0.15Al0.04O2 electrodes
PublikacjaIn this study, low-temperature solid oxide fuel cells with an ∼560 μm thick Sm0.2Ce0.8O2−δ (SDC) electrolyte and ∼890 μm thick LiNi0.81Co0.15Al0.04O2−δ (NCAL) electrodes are constructed and characterized under three experimental conditions. The cell with an NCAL cathode pre-reduced under an H2 atmosphere at 550 °C presents the best electrochemical performance. This is ascribed to facts that the reduction reaction generating Ni–Co...
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Study on polymer modified road asphalt mixture
PublikacjaThe formulation of ternary asphalt-additives blend composed of crumb rubber : low-density polyethylene (CR : LDPE) and crumb rubber : textile fiber (CR : TF) couples, and quaternary asphalt additives-blend composed of (CR : LDPE : TF) triplets on the virgin asphalt to optimize the asphalt basic and rheological properties and to use the extrusion process of two or three additives to obtain composite materials of them, as well as...
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Tolerance Optimization of Antenna Structures by Means of Response Feature Surrogates
PublikacjaFabrication tolerances and other types of uncertainties, e.g., the lack of precise knowledge of material parameters, have detrimental effects on electrical and field performance of antenna systems. In the case of input characteristics these are particularly noticeable for narrow- and multi-band antennas where deviations of geometry parameters from their nominal values lead to frequency shifts of the operating frequency bands. Improving...
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Detection of circulating tumor cells by means of machine learning using Smart-Seq2 sequencing
PublikacjaCirculating tumor cells (CTCs) are tumor cells that separate from the solid tumor and enter the bloodstream, which can cause metastasis. Detection and enumeration of CTCs show promising potential as a predictor for prognosis in cancer patients. Furthermore, single-cells sequencing is a technique that provides genetic information from individual cells and allows to classify them precisely and reliably. Sequencing data typically...
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Structure and Stability Characterization of Natural Lake Pigments Made from Plant Extracts and Their Potential Application in Polymer Composites for Packaging Materials
PublikacjaNatural dyes were extracted from various plant sources and converted into lake pigments based on aluminum and tin. Three different plants (weld, Persian berries, and Brazilwood) were chosen as representative sources of natural dyes. High-performance liquid chromatography (HPLC) and triple-quadrupole mass spectrometry (QqQ MS) were used to identify dyestuffs in the raw extracts. The natural dyes and lake pigments were further characterized...
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Expedited Yield Optimization of Narrow- and Multi-Band Antennas Using Performance-Driven Surrogates
PublikacjaUncertainty quantification is an important aspect of engineering design, also pertaining to the development and performance evaluation of antenna systems. Manufacturing tolerances as well as other types of uncertainties, related to material parameters (e.g., substrate permittivity) or operating conditions (e.g., bending) may affect the antenna characteristics. In the case of narrow- or multi-band antennas, this usually leads to...
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Novel Investigation of Higher Order Spectral Technologies for Fault Diagnosis of Motor-Based Rotating Machinery
PublikacjaIn the last decade, research centered around the fault diagnosis of rotating machinery using non-contact techniques has been significantly on the rise. For the first time worldwide, innovative techniques for the diagnosis of rotating machinery, based on electrical motors, including generic, nonlinear, higher-order cross-correlations of spectral moduli of the third and fourth order (CCSM3 and CCSM4, respectively), have been comprehensively...
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Global EM-Driven Optimization of Multi-Band Antennas Using Knowledge-Based Inverse Response-Feature Surrogates
PublikacjaElectromagnetic simulation tools have been playing an increasing role in the design of contemporary antenna structures. The employment of electromagnetic analysis ensures reliability of evaluating antenna characteristics but also incurs considerable computational expenses whenever massive simulations are involved (e.g., parametric optimization, uncertainty quantification). This high cost is the most serious bottleneck of simulation-driven...
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
PublikacjaIn this paper, the solubility of methane in water along the 400 bar isobar is determined by computer simulations using the TIP4P/Ice force field for water and a simple LJ model for methane. In particular, the solubility of methane in water when in contact with the gas phase and the solubility of methane in water when in contact with the hydrate has been determined. The solubility of methane in a gas–liquid system decreases as temperature...
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Chromatographic and Spectroscopic Identification and Recognition of Natural Dyes, Uncommon Dyestuff Components, and Mordants: Case Study of a 16th Century Carpet with Chintamani Motifs
PublikacjaA multi-tool analytical practice was used for the characterisation of a 16th century carpet manufactured in Cairo. A mild extraction method with hydrofluoric acid has been evaluated in order to isolate intact flavonoids and their glycosides, anthraquinones, tannins, and indigoids from fibre samples. High-performance liquid chromatography coupled to spectroscopic and mass spectrometric detectors was used for the identification of...
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Effects of Ni-NCAL and Ni–Ag electrodes on the cell performances of low-temperature solid oxide fuel cells with Sm0.2Ce0·8O2-δ electrolyte at various temperatures
PublikacjaThree low-temperature solid oxide fuel cells are built using Sm0.2Ce0·8O2-δ (SDC) as the electrolyte. Cell A is symmetrical and features Ni–LiNi0.8Co0·15Al0·05O2 (Ni–NCAL) electrodes, Cell B comprises a Ni–NCAL anode and a Ni–Ag cathode, and Cell C is fabricated using a Ni–NCAL cathode and a Ni–Ag anode. The ohmic resistance and polarization resistance (Rp) of Cells B and C are significantly higher than those of Cell A. The reduction...