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Wyniki wyszukiwania dla: ldi
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Hybrid electrode materials for fast performance devices
PublikacjaEnergy storage devices such as Electrochemical Double Layer Capacitors and other types of the electrochemical capacitors require chemically stable, non-soluble, electrochemically active electrode materials compatible with appropriate electrolytes. Factors which determine their applicability are derived from so called electrochemical window of electroltes, nature of charge accumulation and their kinetics. On the other hand technological...
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Evaluation of adhesion strength, corrosion, and biological properties of the MWCNT/TiO2 coating intended for medical applications
PublikacjaMulti-wall carbon nanotube (MWCNT) coatings are gaining increasing interest because of their special properties used in many science fields. The titania coatings are known for their improvement of osteoblast adhesion, thus changing the surface architecture. Bi-layer coatings comprising 0.25 wt% of the MWCNTs and 0.30 wt% of titania (anatase structure) were synthesized in a two-stage procedure using the electrophoretic deposition...
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Synteza i właściwości jonowoprzewodzących materiałów poliuretanowych
PublikacjaPrzewodzące kompozyty poliuretanowe otrzymywano w syntezie dwuetapowej. W pierwszym etapie syntetyzowano prepolimer uretanowy. W tym celu poddawano reakcji 4,4'-diizocyjanianu difenylometanu (MDI) oraz oligoeterol ( PTMG 1000, PTMG 2000 lub Rokopol D-2002). W drugim etapie jako przedłużacz łańcuchów stosowano 1,4-butanodiol (BDO). Elastomery te były domieszkowane solami LiClO4 lub LiCl oraz modyfikowane montmorylonitem. Domieszkowanie...
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Optical Coherence Tomography for nanoparticles quantitative characterization
PublikacjaThe unique features of nanocomposite materials depend on the type and size of nanoparticles, as well as their placement in the composite matrices. Therefore the nanocomposites manufacturing process requires inline control over certain parameters of nanoparticles such as dispersion and concentration. Keeping track of nanoparticles parameters inside a matrix is currently a difficult task due to lack of a fast, reliable and cost effective...
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Study of Statistical Text Representation Methods for Performance Improvement of a Hierarchical Attention Network
PublikacjaTo effectively process textual data, many approaches have been proposed to create text representations. The transformation of a text into a form of numbers that can be computed using computers is crucial for further applications in downstream tasks such as document classification, document summarization, and so forth. In our work, we study the quality of text representations using statistical methods and compare them to approaches...
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The Effect of Surface Treatment with Isocyanate and Aromatic Carbodiimide of Thermally Expanded Vermiculite Used as a Functional Filler for Polylactide-Based Composites
PublikacjaIn this work, thermally expanded vermiculite (TE-VMT) was surface modified and used as a filler for composites with a polylactide (PLA) matrix. Modification of vermiculite was realized by simultaneous ball milling with the presence of two PLA chain extenders, aromatic carbodiimide (KI), and 4,4’-methylenebis(phenyl isocyanate) (MDI). In addition to analyzing the particle size of the filler subjected to processing, the efficiency...
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Is it possible to create a unified urban greenery management system (UGMS) on a national scale? The concept for EU Member State of Poland
PublikacjaMotives: Currently developed urban greenery management systems (UGMS) are limited in scope and profiled towards solving particular issues. Moreover, due to the lack of common standards and solutions, UGMS implementation requires considerable financial effort, which is only feasible for wealthy urban centres. There is a need for universal, cost-effective technological solutions which could constitute a common urban green infrastructure...
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Exploring the Usability and User Experience of Social Media Apps through a Text Mining Approach
PublikacjaThis study aims to evaluate the applicability of a text mining approach for extracting UUX-related issues from a dataset of user comments and not to evaluate the Instagram (IG) app. This study analyses textual data mined from reviews in English written by IG mobile application users. The article’s authors used text mining (based on the LDA algorithm) to identify the main UUX-related topics. Next, they mapped the identified topics...
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Cyclodextrin polymers as efficient adsorbents for removing toxic non-biodegradable pimavanserin from pharmaceutical wastewaters
PublikacjaPresence of even small amount of active pharmaceutical ingredients in the environment carries risks tohuman and animal health, presenting an important issue. The paper presents issues related to the newdrug - pimavanserin (PMV). Biological treatment efficiency of pimavanserin (PMV) was evaluated usinglab-scale Sequencing Batch Reactor (SBR). It has been shown to have a negative effect on aquatic or-ganisms by classifying it as...
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublikacjaWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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A structural study of the hydrated and the dimethylsulfoxide, N, N´-dimet-hylpropyleneurea, acetonitryle, pyridine and N,N-dimethylthioformamide solvated nickel(II) ion in solution and solid state.
PublikacjaOznaczono strukturę w stanie stałym i ciekłym solwatowanego jonu niklu(II) w rozpuszczalnikach o różnych właściwościach donorowych: w wodzie, dimetylo-sulfotlenku, N,N`-dimetylopropylomoczniku, acetonitrylu, pirydynie i N,N-di-metylotioformamidzie. Stwierdzono, że nikiel(II) tworzy przede wszystkim sześciokoordynacyjne solwaty (woda, acetonitryl, DMTF). Jako solwat pięciokoordynacyjny istnieje tylko w dimetylopropylomoczniku....
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Contaminants in airport runoff water in the Vicinities of Two International Airports in Poland
PublikacjaThe general aim of the study was to evaluate environmental quality associated with the operations (combustion of fuels, cleaning of aircraft and airport aprons, aircraft, ground vehicle maintenance and repairs, fuelling operations, de/anti-icing operations) of international airports located in central and northern of Poland. These two monitoring areas were set up to monitor PAHs, PCBs, formaldehydes, phenols, detergents (cationic,...
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Transparent thin films of Cu-TiO2 with visible light photocatalytic acitivity
PublikacjaThin films of Cu–TiO2 with a high level of transparency were prepared by a dip-coating procedure on the glass surface. CuCl2 was used as a copper precursor added during sol – gel synthesis of TiO2. The extension of optical absorption into the visible region of as-prepared thin films was indicated by UV/Vis spectroscopy. Only the anatase phase was detected by X-ray di ffraction analysis (XRD). The presence of copper in the structure...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublikacjaThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Relative product diversification in the course of economic development: import-export analysis.
PublikacjaThis paper contributes to trade diversification literature by comparing changes in relative (i.e. assessed in comparison with world patterns) heterogeneity of import and export structures in the process of economic development. In particular, by focusing on the diversification of imports, we add a missing piece to already analysed export trends. We use highly disaggregated trade statistics (4963 product lines) for 163 countries...
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Un nuovo fiume carsico. La deindustrializzazione in Italia nel dibattito pubblico
PublikacjaThe article examines the evolution of the debate on deindustrialization in Italy since its first appearance in 1980's up to the present day. Dramatic alarms alternate with long silences in a framework, both national and international, in which the most important economic organizations are struggling, apparently without success, to find a common definition of deindustrialization.
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A framework for risk matrix design: A case of MASS navigation risk
PublikacjaRisk matrix, a tool for visualizing risk assessment results, is essential to facilitate the risk communication and risk management in risk-based decision-making processes related to new and unexplored socio-technical systems. The use of an appropriate risk matrix is discussed in the literature, but it is overlooked for emerging technologies such as Maritime Autonomous Surface Ships (MASS). In this study, a comprehensive framework...
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Advanced Bayesian study on inland navigational risk of remotely controlled autonomous ship
PublikacjaThe arise of autonomous ships has necessitated the development of new risk assessment techniques and methods. This study proposes a new framework for navigational risk assessment of remotely controlled Maritime Autonomous Surface Ships (MASS). This framework establishes a set of risk influencing factors affecting safety of navigation of a remotely-controlled MASS. Next, model parameters are defined based on the risk factors, and...
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A probabilistic model of ship performance in ice based on full-scale data
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Influence of Sulfation Treatment on Photocatalytic Performance of Mesoporous Bi<SUB>2</SUB>O<SUB>3</SUB>–TiO<SUB>2</SUB> Composites
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Induced circularly polarized luminescence for revealing DNA binding with fluorescent dyes
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Symmetry-Dependent Vibrational Circular Dichroism Enhancement in Co(II) Salicylaldiminato Complexes
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Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies
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Accelerated multi-objective design optimization of antennas by surrogate modeling and domain segmentation
PublikacjaMulti-objective optimization yields indispensable information about the best possible design trade-offs of an antenna structure, yet it is challenging if full-wave electromagnetic (EM) analysis is utilized for performance evaluation. The latter is a necessity for majority of contemporary antennas as it is the only way of achieving acceptable modeling accuracy. In this paper, a procedure for accelerated multi-objective design of...
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Towards Knowledge Sharing Oriented Adaptive Control
PublikacjaIn this paper, we propose a knowledge sharing oriented approach to enable a robot to reuse other robots' knowledge by adapting itself to the inverse dynamics model of the knowledge-sharing robot. The purpose of this work is to remove the heavy fine-tuning procedure required before using a new robot for a task via reusing other robots' knowledge. We use the Neural Knowledge DNA (NK-DNA) to help robots gain empirical knowledge and...
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Smart Embedded Systems with Decisional DNA Knowledge Representation
PublikacjaEmbedded systems have been in use since the 1970s. For most of their history embedded systems were seen simply as small computers designed to accomplish one or a few dedicated functions; and they were usually working under limited resources i.e. limited computing power, limited memories, and limited energy sources. As such, embedded systems have not drawn much attention from researchers, especially from those in the artificial...
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Deep Learning-Based Intrusion System for Vehicular Ad Hoc Networks
PublikacjaThe increasing use of the Internet with vehicles has made travel more convenient. However, hackers can attack intelligent vehicles through various technical loopholes, resulting in a range of security issues. Due to these security issues, the safety protection technology of the in-vehicle system has become a focus of research. Using the advanced autoencoder network and recurrent neural network in deep learning, we investigated...
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The influence of photointercalaction and photochromism effects on the photocatalytic properties of electrochemically obtained maze-like MoO3 microstructures
PublikacjaMolybdenum oxide (α-MoO3) thin films with oriented crystalline facets were synthesised by anodization of Mo foils. The obtained samples were exposed to UV–Vis illumination in aqueous electrolytes providing different cations. The morphology and structure of modified samples were investigated. The effect of photointercalated alkali metal cations (Li+, Na+, K+) on optical and structural properties was studied using UV–vis and Raman...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublikacjaThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
PublikacjaThe photophysics of bis(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)[2-(4-carboxyphenyl)-4,5-bis(p-tolylimino-κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO2 film. The studied substitution pattern of the 4H-imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H-imidazole ligand that has been previously investigated....
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Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublikacjaAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
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Influence of alkali metal cations on the photoactivity of crystalline and exfoliated amorphous WO3 – photointercalation phenomenon
PublikacjaIn order to investigate the effect of photointercalation on photoelectrochemical properties, two types of WO3-based photoanodes, bulk and exfoliated have been prepared and investigated. An aqueous exfoliation method is introduced for the simple fabrication of amorphous and hydrated WO3 nanomaterial using commercial bulk WO3 precursor. The comparison of obtained material with bulk WO3 was performed using Raman, UV–vis, and XPS as...
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Modyfikacja biodegradowalnych poliestrów alifatycznych za pomocą inicjatorów nadtlenkowych
PublikacjaCzynniki ekologiczne, ekonomiczne oraz większa świadomość społeczeństwa wpływają korzystnie na dynamiczny rozwój bio- degradowalnych materiałów, które sukcesywnie zastępują polimery „konwencjonalne”. Biodegradowalne polimery zarówno ze źródeł odnawialnych, jak i nieodnawialnych wzbudzają duże zainteresowanie wielu jednostek naukowo-badawczych oraz firm, głównie w zakresie ich modyfikacji. W pracy przedstawiono wyniki badań wpływu...
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Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes
PublikacjaToevaluatetheantioxidantactivityofpotentialsyntheticenzymemimetics,wepreparednewfivecopper(II)complexesviaaself‐assemblymethodandnamedthem[Cu(2‐(HOCH2)py)3](ClO4)2(1),[Cu(2‐(HOCH2)py)2(H2O)2]SiF6(2),[Cu2(2‐(HOCH2CH2)py)2(2‐(OCH2CH2)py)2](ClO4)2(3),[Cu(pyBIm)3](BF4)2∙1.5H2O(4)and[Cu(py2C(OH)2)2](ClO4)2(5).ThesyntheticprotocolinvolvedN,O‐ orN,N‐donors:2‐(hydroxymethyl)pyridine(2‐(HOCH2)py),2‐(hydroxyethyl)pyridine(2‐(HOCH2CH2)py),2‐(2‐pyridyl)benzimidazole(pyBIm),di(2‐pyridyl)ke‐tone(py2CO).TheobtainedCu(II)complexeswerefullycharacterisedbyelementalanalysis,FTIR,EPR,UV‐Vis,single‐crystalX‐raydiffractionandHirshfeldsurfaceanalysis.Crystallographicandspectroscopicanalysesconfirmedchromophoresofbothmonomeric({CuN3O3}(1),{CuN2O4}(2),{CuN6}(4),{CuN4O2}(5))anddimericcomplex({CuN2O3}(3)).Mostoftheobtainedspeciespos‐sessedadistortedoctahedralenvironment,exceptdimer3,whichconsistedoftwocoppercentreswithsquarepyramidalgeometries.Thewater‐solublecompounds(1,3and5)wereselectedforbiologicaltesting.Theresultsofthestudyrevealedthatcomplex1insolutionsdisplayedbetterradicalscavengingactivitythancomplexes3,5andfreeligands.Therefore,complex1hasbeenselectedforfurtherstudiestotestitsactivityasanenzymemimetic.Thechosencompoundwastestedontheerythrocytelysateoftwogroupsofpatientsafterundergoingchemotherapyandchemoradiotherapy.Theeffectofthetestedcompound(1)onenzymeactivitylevels(TAS,SODandCAT)suggeststhattheselectedcomplexcanbetreatedasafunctionalmimeticoftheenzymes.
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A novel methodology for the enantiomeric resolution of methamphetamine, its precursors and intermediates by GC-MS
PublikacjaImpurity profiling and classification of abused drugs using chiral analytical techniques is of particular interest and importance because of the additional information obtained from this approach. When these methods are applied to the synthesis of illicitly used substances, they can supply valuable information about the conditions/chemicals used in the synthesis. In this study, simultaneous chiral separation of methylamphetamine,...
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Discovery of Novel 3-Hydroxyandrosta-5,7-Diene-17-Carboxylic Acid Derivatives as Anti-Inflammatory Bowel Diseases (IBD) Agents
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Enhanced degradation of glucocorticoids, a potential COVID-19 remedy, by co-fermentation of waste activated sludge and animal manure: The role of manure type and degradation mechanism
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Hazardous waste dewatering and dry mass reduction through hydrophobic modification by a facile one-pot, alkali-assisted hydrothermal reaction
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The Impact of Generative AI and ChatGPT on Creating Digital Advertising Campaigns
PublikacjaThe use of AI-based solutions is currently discussed in relation to various industries. The proliferation of tools based on generative artificial intelligence (GAI), including the emergence of ChatGPT, has resulted in testing as a first step and implementations in further areas of business life, including marketing, as a second step. Still only a few studies have analysed and evaluated specific solutions for different areas of...
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A systematic retrieval of international competitiveness literature: a bibliometric study
PublikacjaOver the last three decades there has been growing interest in international competitiveness research. However, as evidenced by the academic literature, there is a lack of systematic chronological studies synthesizing how this field has evolved over time. The main aim of this paper is to consolidate the state of the art of academic research on international competitiveness in the discipline of economics by using a new method: a...
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LED Light Sources and Their Complex Set-Up for Visually and Biologically Effective Illumination for Ornamental Indoor Plants
PublikacjaOrnamental plants are often used in indoor environments as part of biophilic design to improve the health and wellbeing of occupants, and to support sustainable, green architecture. Unfortunately, many plants do not thrive and need to be continuously replaced, which is economically unsustainable. The wavelengths and spectrum ratio of commonly used light sources such as light emitting diode (LED), and the lack of an appropriate...
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Polyurethanes Crosslinked with Poly(vinyl alcohol) as a Slowly-Degradable and Hydrophilic Materials of Potential Use in Regenerative Medicine
PublikacjaNovel, slowly-degradable and hydrophilic materials with proper mechanical properties and surface characteristics are in great demand within the biomedical field. In this paper, the design, synthesis, and characterization of polyurethanes (PUR) crosslinked with poly(vinyl alcohol) (PVA) as a new proposition for regenerative medicine is described. PVA-crosslinked PURs were synthesized by a two-step polymerization performed in a solvent...
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The Influence of Calcium Glycerophosphate (GPCa) Modifier on Physicochemical, Mechanical, and Biological Performance of Polyurethanes Applicable as Biomaterials for Bone Tissue Scaffolds Fabrication
PublikacjaIn this paper we describe the synthesis of poly(ester ether urethane)s (PEEURs) by using selected raw materials to reach a biocompatible polyurethane (PU) for biomedical applications. PEEURs were synthesized by using aliphatic 1,6-hexamethylene diisocyanate (HDI), poly(ethylene glycol) (PEG), α,ω-dihydroxy(ethylene-butylene adipate) (Polios), 1,4-butanediol (BDO) as a chain extender and calcium glycerolphosphate salt (GPCa) as...
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Selected adipocytokines in patients with an incidentally discovered pheochromocytoma
PublikacjaBACKGROUND: Adipose tissue secretes many adipokines and cytokines, which may be an additional risk factor of cardiovascular and metabolic diseases in patients with an incidentally discovered pheochromocytoma (PHEO). The aim of the study was to investigate levels of selected adipocytokines in these patients. METHODS: This prospective study included 12 patients with an incidentally discovered PHEO and 18 healthy participants. In...
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Optimization of capillary isotachophoretic method for determination of major macroelements in blue honeysuckle berries (Lonicera caerulea L.) and related products
PublikacjaA reliable and repeatable isotachophoretic method for the simultaneous determination of K+, Na+, Ca2+, Mg2+ and ammonium in berries of different blue honeysuckle cultivars was developed. The usefulness of the complex-forming equilibria in determining the cations mentioned above was studied. The addition of 7.5 mM 18-crown-6 and 2 mM α-hydroxyisobutyric acid to sulfuric acid enhanced the separation capacity of the leading electrolyte....
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Intumescent flame retardants inspired template-assistant synthesis of N/P dual-doped three-dimensional porous carbons for high-performance supercapacitors
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Polyhydric SiO2 coating assistant to graft organophosphorus onto glass fabric for simultaneously improving flame retardancy and mechanical properties of epoxy resin composites
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Compact global association based adaptive routing framework for personnel behavior understanding
PublikacjaPersonnel behavior understanding under complex scenarios is a challenging task for computer vision. This paper proposes a novel Compact model, which we refer to as CGARPN that incorporates with Global Association relevance and Adaptive Routing Pose estimation Network. Our framework firstly introduces CGAN backbone to facilitate the feature representation by compressing the kernel parameter space compared with typical algorithms,...
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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublikacjaSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...