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Search results for: FRUSTRATED LEWIS PAIRS
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Gigantic electro-chemo-mechanical properties of nanostructured praseodymium doped ceria
PublicationSome oxygen defective fluorites are non-Newnham electrostrictors, i.e., the electromechanical response does not depend on their dielectric properties. Here, we show gigantic electrostriction in nanocrystalline 25 mol% praseodymium doped ceria (PCO) bulk ceramics. The material was fabricated with a fieldassisted spark plasma sintering (SPS) process from high-purity nanoscale PCO powders (<20 nm). The SPS process consolidates the...
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Adaptive Method for Modeling of Temporal Dependencies between Fields of Vision in Multi-Camera Surveillance Systems
PublicationA method of modeling the time of object transition between given pairs of cameras based on the Gaussian Mixture Model (GMM) is proposed in this article. Temporal dependencies modeling is a part of object re-identification based on the multi-camera experimental framework. The previously utilized Expectation-Maximization (EM) approach, requiring setting the number of mixtures arbitrarily as an input parameter, was extended with the...
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Assessment of Adjustment of GNSS Railway Measurements with Parameter-Binding Conditions in a Stationary Scenario
PublicationThe study aims to assess the applicability of the ordinary least squares method, robust estimation, and conditions-binded adjustment in processing the six synchronous coordinate pairs of global navigation satellite system (GNSS) receivers. The research is part of the research project InnoSatTrack, focused on the enhancement of the determination of geometrical parameters of railway tracks using GNSS, inertial, and other sensors....
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Dissociative photo-double-ionization of isoxazole
PublicationIn the present communication, we present results on the photo-double-ionization and fragmentation of the isoxazole molecules. The experiments were carried out at the CiPo beamline at the Elettra-Sincrotrone radiation facility exploiting the VUV excitation and the ion time-of-flight spectrometry combined with the PEPICO technique. The dissociative processes where only one electron is emitted are quite well known [1]. However, double...
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Polychlorinated biphenyls (PCBs) in bottom sediments: Identification of sources
PublicationPolychlorinated biphenyls (PCBs) can enter the environment from various sources. They are synthetic chemicals and as such are present in the environment mainly as mixtures containing various amounts of PCB congeners. It is therefore difficult to pinpoint the source of PCB emissions into the environment and the pathways along which they migrate there. The situation is different where locating the emission sources of polycyclic aromatic...
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublicationBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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General paradigm for distilling classical key from quantum states
PublicationIn this paper, we develop a formalism for distilling aclassical key from a quantum state in a systematic way, expandingon our previous work on a secure key from bound entanglement(Horodecki et al., 2005). More detailed proofs, discussion, andexamples are provided of the main results. Namely, we demonstratethat all quantum cryptographic protocols can be recast in away which looks like entanglement theory, with the only changebeing...
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Selection of Visual Descriptors for the Purpose of Multi-camera Object Re-identification
PublicationA comparative analysis of various visual descriptors is presented in this chapter. The descriptors utilize many aspects of image data: colour, texture, gradient, and statistical moments. The descriptor list is supplemented with local features calculated in close vicinity of key points found automatically in the image. The goal of the analysis is to find descriptors that are best suited for particular task, i.e. re-identification...
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Music genre classification applied to bass enhancement for mobile technology
PublicationThe aim of this paper is to present a novel approach to the Virtual Bass Synthesis (VBS) algorithms applied to portable computers. The proposed algorithm is related to intelligent, rule-based setting of synthesis parameters according to music genre of an audio excerpt. The classification of music genres is automatically executed employing MPEG 7 parameters and the Principal Component Analysis method applied to reduce information...
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The extended version of restriction analysis approach for the examination of the ability of low-molecular-weight compounds to modify DNA in a cell-free system
PublicationOne of the primary requirements in toxicology is the assessment of ability of chemicals to induce DNA covalent modification. There are several well-established methods used for this purpose such as 32P-Postlabeling or HPLC-MS. However, all of these approaches have difficult to overcome limitations, which prevents their use in genotoxin screening. Here, we describe the simple protocol exploiting specificity of restriction enzymes...
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublicationElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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Emission of 1.3–10 nm airborne particles from brake materials
PublicationOperation of transport vehicle brakes makes a significant contribution to airborne particulate matter in urban areas, which is subject of numerous studies due to the environmental concerns. We investigated the presence and number fractions of 1.3–10 nm airborne particles emitted from a low-metallic car brake material (LM), a non-asbestos organic car brake material (NAO) and a train brake cast iron against a cast iron. Particles...
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Robust Object Detection with Multi-input Multi-output Faster R-CNN
PublicationRecent years have seen impressive progress in visual recognition on many benchmarks, however, generalization to the out-of-distribution setting remains a significant challenge. A state-of-the-art method for robust visual recognition is model ensembling. However, recently it was shown that similarly competitive results could be achieved with a much smaller cost, by using multi-input multi-output architecture (MIMO). In this work,...
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Robust Object Detection with Multi-input Multi-output Faster R-CNN
PublicationRecent years have seen impressive progress in visual recognition on many benchmarks, however, generalization to the out-of-distribution setting remains a significant challenge. A state-of-the-art method for robust visual recognition is model ensembling. However, recently it was shown that similarly competitive results could be achieved with a much smaller cost, by using multi-input multi-output architecture (MIMO). In this work,...
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BP-EVD: Forward Block-Output Propagation for Efficient Video Denoising
PublicationDenoising videos in real-time is critical in many applications, including robotics and medicine, where varying light conditions, miniaturized sensors, and optics can substantially compromise image quality. This work proposes the first video denoising method based on a deep neural network that achieves state-of-the-art performance on dynamic scenes while running in real-time on VGA video resolution with no frame latency. The backbone...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublicationNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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ANTIOXIDANT POWER SERIES (APS) AS A TOOL FOR RATIONAL DESIGN AND ASSESSMENT OF HEALTH PROMOTING PROPERTIES OF FUNCTONAL FOODS BASED ON ANTIOXIDANT PHYTOCHEMICALS
PublicationOver past decades, plantborne antioxidants dominated so called "translational research" in the area of food, nutrition, and disease prevention. Among consumers and producers, such phytochemicals are synonyms of nutriceuticals. Popularity and commercial success of antioxidants stems from mechanistic studies suggesting the involvement of reactive oxygen species in etiology of chronic diseases. However, epidemiology failed to provide...
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Analysis of airborne metal containing particles with EDX/EDS detectorsin electron microscopes
PublicationIn years 2006-2010 particulate matter analysis was undertaken for dust samples collected from Gdansk and London area in orderto compare their morphology and composition. Part of those studies was devoted to analysis of particulate matter (PM) bearingmetals. Characterization of the morphology and size of the particles collected onto the filters was performed using a scanning electronmicroscope (SEM) and transmission electron microscope...
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Sano-Tachiya-Noolandi-Hong, Onsager and Braun models vs Monte Carlo simulation of charge photogeneration in organic solids
PublicationThe Sano-Tachiya-Noolandi-Hong (STNH), Onsager, and Braun models as well as Monte Carlo (MC) simulations of charge recombination/separation have been applied for the first time to reproduce the results of the electromodulated photoluminescence measurements in vacuum-evaporated films of fluorescent materials commonly used in optoelectronic devices. The values of the electron-hole pair final recombination speed in the monomer emitters:...
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Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublicationGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Separation of C6 hydrocarbons on sodium dithionite reduced graphene oxide aerogels
PublicationThe ability of reduced graphene oxide aerogels (rGOAs) for challenging gas-phase separation was investigated with hexane isomers and benzene (C6 hydrocarbons) using inverse gas chromatography (IGC). For the first, rGOAs were synthesized with sodium dithionite (DTN) as a reductant. Experiments revealed that the most optimal DTN to graphene oxide mass ratio was 2:1, resulting in the highest specific surface area of 432.3 m2 g−1 and...
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Physical and sealing properties of BaO–Al2O3–SiO2–CaO–V2O5 glasses for solid oxide fuel cell applications
PublicationIn this study, the properties of BaO–Al2O3–SiO2 (SAB) glasses incorporated with CaO and V2O5 as the network modifier and additive, respectively, are evaluated. The electrical resistivities of the glasses decrease upon the addition of CaO but increase upon increasing their V2O5 content because the V5+ species lower the ionic mobility of the glasses. The addition of V2O5 improves the wettability of the glasses on the Crofer 22 APU...
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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublicationImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
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SnO2 nanoparticles embedded onto MoS2 nanoflakes - An efficient catalyst for photodegradation of methylene blue and photoreduction of hexavalent chromium
PublicationIn this work, a molybdenum disulfide/tin oxide (MoS2/SnO2) composite was successfully prepared via a hydrothermal method. The MoS2/SnO2 composite was used as a photocatalyst for photoreduction of hexavalent chromium and photodecomposition of methylene blue. It exhibited higher photocatalytic performance under simulated solar light irradiation than MoS2 itself. The obtained material was characterized by several spectroscopic and...
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An optimized system for sensor ontology meta-matching using swarm intelligent algorithm
PublicationIt is beneficial to annotate sensor data with distinct sensor ontologies in order to facilitate interoperability among different sensor systems. However, for this interoperability to be possible, comparable sensor ontologies are required since it is essential to make meaningful links between relevant sensor data. Swarm Intelligent Algorithms (SIAs), namely the Beetle Swarm Optimisation Algorithm (BSO), present a possible answer...
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Experimental and analytical thermal study of PTFE composite sliding against high carbon steel as a function of the surface roughness, sliding velocity and applied load
PublicationThis study investigates the contact temperatures caused by frictional heating of sliding parallel pairs. In this case the materials studied are a PTFE composite in contact with a high carbon steel plate. These materials are commonly used for industrial applications, in particular as the main contacting components within a scroll expander system. The expected contact temperature values are important to be quantified in order to...
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Coupling between Blood Pressure and Subarachnoid Space Width Oscillations during Slow Breathing
PublicationThe precise mechanisms connecting the cardiovascular system and the cerebrospinal fluid (CSF) are not well understood in detail. This paper investigates the couplings between the cardiac and respiratory components, as extracted from blood pressure (BP) signals and oscillations of the subarachnoid space width (SAS), collected during slow ventilation and ventilation against inspiration resistance. The experiment was performed on...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Long-distance quantum communication over noisy networks without long-time quantum memory
PublicationThe problem of sharing entanglement over large distances is crucial for implementations of quantum cryptography. A possible scheme for long-distance entanglement sharing and quantum communication exploits networks whose nodes share Einstein-Podolsky-Rosen (EPR) pairs. In Perseguers et al. [Phys. Rev. A 78, 062324 (2008)] the authors put forward an important isomorphism between storing quantum information in a dimension D and transmission...
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Sample preparation procedure using extraction and derivatization of carboxylic acids from aqueous samples by means of deep eutectic solvents for gas chromatographic-mass spectrometric analysis
PublicationThe paper presents a new procedure for the determination of organic acids in a complex aqueous matrixusing ultrasound-assisted dispersive liquid–liquid microextraction followed by injection port derivati-zation and GC–MS analysis. A deep eutectic solvent (choline chloride: 4-methylphenol in a 1:2 mol ratio)was used both as an extracting solvent and as a derivatizing agent to yield ion pairs which were next con-verted to methyl...
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Bankruptcy system model and efficiency versus the entrepreneurship and innovation in selected European countries
Publicationmodel and its efficiency on the development of entrepreneurship and innovation in selected European countries and Turkey. This goal was achieved by examining the relationships between debtor-friendliness of the bankruptcy law model and its efficiency on one side and entrepreneurship and innovation on the other. The cross-sectional ANOVA test and OLS regression method were chosen as the research method. In order to verify the research...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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Electromodulation of photoluminescence in vacuum-evaporated films of bathocuproine
PublicationElectric field-modulated photoluminescence (EML) was measured in vacuum-evaporated films of bathocuproine (BCP), electron-transporting material commonly used in organic light-emitting diodes (OLEDs). The external electric field of 106 V/cm strength decreases long-wavelength photoluminescence (PL) up to 10% but the same effect on short-wavelength PL is above one order of magnitude smaller. The distinctive difference between the...
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Chemically reduced graphene oxide based aerogels - Insight on the surface and textural functionalities dependent on handling the synthesis factors
PublicationEfficient adjusting of reduced graphene oxide aerogels properties requires information about experimental factor-aerogel property relationship. In this work, the reduced graphene oxide aerogels surface and textural functionalities in relation to precursor concentration, gelation time and hydrogel freezing temperature were studied in detail, with the use of dynamic adsorption method of gaseous organic probes and experimental design....
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Towards classification of patients based on surface EMG data of temporomandibular joint muscles using self-organising maps
PublicationThe study considers the need for an effective method of classification of patients with a temporomandibular joint disorder (TMD). The self-organising map method (SOM) was applied to group patients and used together with the cross-correlation approach to interpret the processed (rectified and smoothed by using root mean square (RMS) algorithm) surface electromyography signal (sEMG) obtained from testing the muscles (two temporal...
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Internet photogrammetry for inspection of seaports
PublicationThis paper intends to point out the possibility of using Internet photogrammetry to construct 3D models from the images obtained by means of UAVs (Unmanned Aerial Vehicles). The solutions may be useful for the inspection of ports as to the content of cargo, transport safety or the assessment of the technical infrastructure of port and quays. The solution can be a complement to measurements made by using laser scanning and traditional...
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Developing assumptions for the tram noise attenuation passive system using the noise maps analysis method
PublicationThe paper presents experimental research carried out to determine the possible actions to reduce thenoise generated by trams in a highly urbanised area. A few design strategies affecting tram ride qualityhave been presented – especially in the aspect of the acoustic phenomena. Main sources of the noisein trams were characterised. The paper includes selected results of comprehensive...
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Diagnostic PCR assay for Microsporum and Trichophyton infections
PublicationWe have previously described a highly sensitive 5-hour PCR test for the rapid diagnosis of onychomycosis which detects any dermatophyte and species-identify T. rubrum from patient specimens. We have subsequently developed and evaluated new PCR tests for detection of Trichophyton and Microsporum canis/audouinii infections.58 dermatophyte isolates (21) Microsporum spp. (4 different species), 35 Trichophyton spp (10 different species)...
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A Low-Profile Metal-backed Dipole Loaded with Closely Coupled Arc-shaped Open Stubs for On-metal Tag Design with Wide Frequency Tuning Capability
PublicationThis research has presented a single-layer metal-backed dipole antenna, which consists of a feedline loaded with two pairs of closely-coupled arc-shaped open stubs, for designing a metal-mountable tag that features tuning capability over a wide range of frequency. Here, the stubs can generate sufficient inductive reactance for bringing down the tag resonant frequency tunable in both the regulated UHF RFID passbands (North American...
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On Tradeoffs Between Width- and Fill-like Graph Parameters
PublicationIn this work we consider two two-criteria optimization problems: given an input graph, the goal is to find its interval (or chordal) supergraph that minimizes the number of edges and its clique number simultaneously. For the interval supergraph, the problem can be restated as simultaneous minimization of the path width pw(G) and the profile p(G) of the input graph G. We prove that for an arbitrary graph G and an integer t ∈ {1,...
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Calibration of acoustic vector sensor based on MEMS microphones for DOA estimation
PublicationA procedure of calibration of a custom 3D acoustic vector sensor (AVS) for the purpose of direction of arrival (DoA) estimation, is presented and validated in the paper. AVS devices working on a p-p principle may be constructed from standard pressure sensors and a signal processing system. However, in order to ensure accurate DoA estimation, each sensor needs to be calibrated. The proposed algorithm divides the calibration process...
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Anterior subcutaneous transposition and simple decompression of the ulnar nerve at the elbow – the postoperative improvement in DASH score, VAS score and sonographic findings
PublicationIntroduction. Although a lot of studies have described long- term outcomes after surgical treatment of cubital tunnel syndrome, and the usefulness of sonography in diagnosing of this disorder, few studies have evaluated patients self-reporting outcomes or sonographic findings after surgery. Aim. We assessed patients self-reporting instruments and sonographic findings in patients with the cubital tunnel syndrome before and after...
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Urban dew formation efficiency and chemistry in Poland
PublicationThe measurements of dew formation efficiency and chemistry were performed in Poland in September 2009, as a part of a longer, two-year sampling campaign. Pairs of sites, representing centers of major Polish cities and rural conditions in three different regions, were compared. With the aim to get more detailed landuse-oriented characteristics of dew, two additional sites were set close to Wroclaw. Collection of dew at each site...
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Establishing the allosteric mechanism in CRISPR‐Cas9
PublicationAllostery is a fundamental property of proteins, which regulates biochemical information transfer between spatially distant sites. Here, we report on the critical role of molecular dynamics (MD) simulations in discovering the mechanism of allosteric communication within CRISPR‐Cas9, a leading genome editing machinery with enormous promises for medicine and biotechnology. MD revealed how allostery intervenes during at least three...