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Wyniki wyszukiwania dla: functional properties
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Frequency-Based Regularization for Improved Reliability Optimization of Antenna Structures
PublikacjaThe paper proposes a modified formulation of antenna parameter tuning problem. The main ingredient of the presented approach is a frequency-based regularization. It allows for smoothening the functional landscape of the assumed cost function, defined to encode the prescribed design specifications. The regularization is implemented as a special penalty term complementing the primary objective and enforcing the alignment of the antenna...
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Miasta na prawach powiatu z rozwiniętym przemysłem jako lokalne ośrodki rozwoju na obszarach peryferyjnych polskich regionów
PublikacjaMost of the growth factors is situated in big cities, especially in metropolitan areas. Questions arise: 1) Whether and what development factors are in the peripheral areas of voivodeships (i.e. outside the functional areas of their capitals)? 2) Can the industry be the driving force of the development of these areas? These questions are related to the discussion on the reindustrialisation of the European Union and the role of...
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Fuctional structure of diagnostic system for wheeled tractors
PublikacjaAn application of computer controlled fuel injection systems in vehicle engines and growing demands concerning toxic substances emission and fuel consumption was a main reason for OBD (On Board Diagnosis) development. In spite of a great technological development, only some tractors are equipped in diagnostic systems. On board diagnosis is strongly connected with emission demands and does not concern other important vehicle functions.In...
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublikacjaThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Novel primosomal protein B from thermophilic bacterium Thermoanerobacter tengcongensis
PublikacjaWe report the identification and characterization of theprimosomal protein B (PriB) from thermophilic bacteriumThermoanerobacter tengcongensis (TtePriB). It is the largestknown bacterial PriB protein consisting 216 amino acidresidues with a calculated molecular mass of 25 kDa. Surprisingly,it is functional as monomer containing two single-stranded DNA binding domain (OB-fold) and it is thecompletely new kind structure of SSB protein....
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Experimental bases for the rail track surface damage detection system
PublikacjaA diagnosis of rail surface is generally based on the classical method of direct assessment and track geometry measurements. Identification and qualification of inequality and damage on the surface rails is depend on the skills and experience person who conducting inspection. In times of increasing exploitation of railways, infrastructure managers decide to use systems supporting the assessment of technical condition of the railways....
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An application of simulation model of fuel consumption in diagnostic system of wheeled tractors
PublikacjaAn application of computer controlled fuel injection systems in vehicle engines and growing demands concerning toxic substances emission and fuel consumption was a main reason for OBD (On Board Diagnosis) development. In spite of a great technological development, only some tractors are equipped in diagnostic systems. On board diagnostic is strongly connected with emission demands and does not concern other important vehicle functions. In...
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Antioxidant Interactions between Major Phenolic Compounds Found in 'Ataulfo' Mango Pulp: Chlorogenic, Gallic, Protocatechuic and Vanillic Acids
PublikacjaPhenolic compounds are known to have antioxidant capacity; however, there is little information about molecular interactions between particular phenolics found in fruits at different developmental stages. Therefore, the total antioxidant capacity of the phenolic compounds of a fruit may not correspond to the sum of individual antioxidant capacity given by antioxidants from that tissue. In this study, individual antioxidant capacity...
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Origin of bitumen fractions in the Jurassic-early Cretaceous Vaca Muerta Formation in Argentina: insights from organic petrography and geochemical techniques
PublikacjaThis paper investigates chemical functional groups of the two extracted bitumen fractions in shales of the Jurassic to early Cretaceous Vaca Muerta Formation of the Neuquén Basin in Argentina, South America. The results indicate that Bitumen I is strongly aliphatic and appears to be genetically related to fluorescent amorphous organic matter. In contrast, Bitumen II consists of highly condensed, aromatic hydrocarbons, and has some...
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Representation of magnetic hysteresis in a circuit model of a single-phase transformer
PublikacjaThe paper presents a mathematical model for the hysteresis phenomenon in a multi-winding single-phase core type transformer. The set of loop differential equations was developed for K-th winding transformer model where the flux linkages of each winding includes a flux common Φ to all windings as function of magneto motive force Θ of all windings. The first purpose of this paper is to determine a hysteresis nonlinearity involved...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Using human behavior to develop knowledge-based virtual organisations
PublikacjaPropozycja modelu opartego na zachowaniach ludzkich dla potrzeb budowy wirtuanych organizacji opartych na wiedzy.Virtual organizations promote dynamic interaction between individuals, groups, and organizations, who share their capabilities and resources to pursue a common goal and maximize their benefits. Among these resources, knowledge is a critical one that requires special attention in order to support problem-solving activities...
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RF Input-Quasi-Reflectionless Dispersive-Delay Structures Based on Complementary-Diplexer Circuits
PublikacjaA class of RF dispersive-delay structures (DDSs) with input-quasi-reflectionless behavior is reported. It is based on the exploitation of complementary-diplexer circuit networks, in which the out-of-band RF-input-power echoes reflected by the main bandpass-filter-(BPF)-type channel are dissipated by the resistively-terminated auxiliary bandstop-filter-(BSF)-type channel. Specifically, it is shown that the influence of the absorptive...
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Ideas of the New European Bauhaus (NEB) in architectural education
PublikacjaThe New European Bauhaus (NEB) is an interdisciplinary project initiated by the European Commission in 2020 [1], based on three values: sustainability, beauty and community (social inclusion). Its aim is to support the European Green Deal programme [2] by accelerating the transformation of various economic sectors, including construction, to improve the quality of people’s lives and protect the natural environment. Even though...
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Development of Strategies for AOB and NOB Competition Supported by Mathematical Modeling in Terms of Successful Deammonification Implementation for Energy-Efficient WWTPs
PublikacjaNovel technologies such as partial nitritation (PN) and partial denitritation (PDN) could be combined with the anammox-based process in order to alleviate energy input. The former combination, also noted as deammonification, has been intensively studied in a frame of lab and full-scale wastewater treatment in order to optimize operational costs and process efficiency. For the deammonification process, key functional microbes include...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Preparation of Hydrogen Electrodes of Solid Oxide Cells by Infiltration: Effects of the Preparation Procedure on the Resulting Microstructure
PublikacjaIn this work, the infiltration technique was used to produce hydrogen electrodes for solid oxide cells. Different infiltration methodologies were tested in order to try to shorten the infiltration cycle time. The porous scaffolds used for infiltration were based on highly porous yttria-stabilized zirconia (YSZ) obtained by etching the reduced nickel from the Ni-YSZ cermet in HNO3 acid. The support had a complex structure which...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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Special techniques and future perspectives: Simultaneous macro- and micro-electrode recordings
PublikacjaThere are many approaches to studying the inner workings of the brain and its highly interconnected circuits. One can look at the global activity in different brain structures using non-invasive technologies like positron emission tomography (PET) or functional magnetic resonance imaging (fMRI), which measure physiological changes, e.g. in the glucose uptake or blood flow. These can be very effectively used to localize active patches...
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Electronic structure of TbBa2Cu3O7
PublikacjaW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej hipotetycznego materiału TbBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Tb zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublikacjaThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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A CMOS Pixel With Embedded ADC, Digital CDS and Gain Correction Capability for Massively Parallel Imaging Array
PublikacjaIn the paper, a CMOS pixel has been proposed for imaging arrays with massively parallel image acquisition and simultaneous compensation of dark signal nonuniformity (DSNU) as well as photoresponse nonuniformity (PRNU). In our solution the pixel contains all necessary functional blocks: a photosensor and an analog-to-digital converter (ADC) with built-in correlated double sampling (CDS) integrated together. It is implemented in...
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A new diagnostic IR-thermal imaging method for evaluation of cardiosurgery procedures
PublikacjaTwo methods for monitoring the state of the myocardium during cardiosurgical interventions based on thermal IR imaging are presented below. These methods, called static thermography and active dynamic thermography (ADT), use information about the distribution of temperature on the surface, and an external excitation source to induce thermal transient processes in a tested object. Recording the time series of thermograms allows...
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublikacjaDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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IR-THERMAL IMAGING IN CARDIOSURGERY
PublikacjaA method for monitoring the state of the myocardium during cardiosurgical interventions based on thermal IR imaging is presented. These methods called Static Thermography and Active Dynamic Thermography (ADT) uses information about distribution of temperature on the surface and an external excitation source to induce thermal transient processes in a tested object. Recording time series of thermograms allows to calculate parametric...
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Anticarcinogenic and antioxidant activities of leaves and flowers hydroalcoholic extracts of Nerium oleander L.: PCA analysis and phytochemical content by FTIR spectroscopy
PublikacjaAims: The aim of this work is the evaluation the anticarcinogenic effect on HT29 cancer cells lines and antioxidant effect of three extracts from different morphological parts (leaves (LE), pink flowers (PFE) and white flowers (WFE)) of Nerium oleander lin. Methods: This research provides the anticarcinogenic activity of extracts from N. oleander white flowers. Principal Component Analysis (PCA) was applied to estimate the relationship...
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Tuning the work function of graphite nanoparticles via edge termination
PublikacjaGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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Mechanochemically synthesized Mn3O4@β-cyclodextrin mediates efficient electron transfer process for peroxymonosulfate activation
PublikacjaThe rational surface engineering of heterogeneous catalysts is of great significance in advanced oxidation processes (AOPs) for eliminating refractory contaminants but remains challenging. In this study, β-cyclodextrin modified Mn3O4 (Mn3O4@β-CD) was prepared through a mechanochemical approach for peroxymonosulfate (PMS) activation, which achieved efficient bisphenol A (BPA) removal via electron transfer process (ETP). The reactive...
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Design aspects of a low-cost prosthetic arm for people with severe movement disabilities
PublikacjaIn this paper the main aspects of mechanical design behind the low-cost prosthetic arm are presented. The fundamentals of a proper design has been defined to obtain functional 3D printed 5 degree of freedom (DOF) prosthesis. The designed prosthetic arm is a part of the hybrid interface with eye tracking movement control. The main focus was to create affordable but usable prosthesis which corresponds in size and weights to the human...
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Visible-light-driven lanthanide-organic-frameworks modified TiO2 photocatalysts utilizing up-conversion effect
PublikacjaHighly efficient and quite stable composite with core-shell-like architecture reported herein, responds to the challenge of sunlight-driven photocatalysts. The Ln(ndc)/TiO2 photocatalytic system comprises active lanthanide-carboxylate coordination networks (Nd, Er, Ho, and Tm as metal ions, and 2,6-naphthalene dicar-boxylic acid as the organic linker) and inert titanium dioxide and allow to convert incompatible visible radiation...
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The Way One Defines Specification Matters: On the Performance Criteria for Efficient Antenna Optimization in Aggregated Bi-Objective Setups
PublikacjaDesign of antenna structures for real-world applications is a challenging task that often involves addressing multiple design requirements at a time. Popular solution approaches to this class of problems include utilization of composite objectives. Although configuration of such functions has a significant effect on the cost and performance of the optimization, their specific structure is normally determined based on engineering...
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Recycling of Waste Rubber by Thermo-Mechanical Treatment in a Twin-Screw Extruder
PublikacjaRecycling of waste tires is a significant issue considering both environmental and economic aspects. One of the leading recycling routes is the shredding of tires resulting in the generation of ground tire rubber. This material can be easily introduced into various polymer matrices as a filler, reducing the use of conventionally applied petroleum-based materials. In such cases, it is essential to ensure sufficient interfacial compatibility,...
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Absorptive Desulfurization of Model Biogas Stream Using Choline Chloride-Based Deep Eutectic Solvents
PublikacjaThe paper presents a synthesis of deep eutectic solvents (DESs) based on choline chloride (ChCl) as hydrogen bond acceptor and phenol (Ph), glycol ethylene (EG), and levulinic acid (Lev) as hydrogen bond donors in 1:2 molar ratio. DESs were successfully used as absorption solvents for removal of dimethyl disulfide (DMDS) from model biogas steam. Several parameters affecting the absorption capacity and absorption rate have been...
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Microencapsulation of fish oil – determination of optimal wall material and encapsulation methodology
PublikacjaFor the first time, we present a meta-analysis of experimental and literature data to determine which microencapsulation methodology, and which wall material are best suited to protect fish oil. Our analysis covered a period of several decades of research (1984–2018). The analysis was conducted on 196 literature data-points, and 16 data-points determined experimentally for this publication. PLS regression was used to determine...
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Kompleksowa analiza symulacyjna układu napędowego zespołu trakcyjnego
PublikacjaThe paper describes an approach to comprehensive analysis of traction electric drive. The drivetrain of ED-74 electric unit equipped with four inverter-fed induction motors was modeled in Matlab/Simulink. The model consists of functional blocks as: motors, inverters, drive controllers, filters. Structure and operation of the model was described. Chosen simulation results were presented and discussed. Two methods of modeling the...
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Variations in host surfaces morphology and biology of ciliate epibionts explaining distribution pattern of epibionts in the invasive signal crayfish Pacifastacus leniusculus (Dana, 1852)
Publikacjaciliates on the signal crayfish Pacifastacus leniusculus in relation to specialized structures of the host’s exoskeleton for the first time. This species is known to maintain a relatively clean carapace, but it is sometimes overgrown by other organisms. Epibionts cover different parts of the signal crayfish body, mainly antennae, antennules, maxillipedes III and pereiopods with inner edges of chelae; however, some parts of the...
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Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublikacjaAt the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorate Cas9 function is still missing. Here, multimicrosecond molecular dynamics, free energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublikacjaLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
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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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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublikacjaThe understanding of the 5-bromouracil (BrU) based photosensitization mechanism of DNA damage is of large interest due to the potential applications in photodynamic therapy. Photoinduced electron transfer (ET) in BrU labeled duplexes comprising the 50 -GBrU or 50 -ABrU sequence showed that a much lower reactivity was found for the 50 -GBrU pattern. Since the ionization potential of G is lower than that of A, this sequence selectivity...
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Facile synthesis and characterization of graphene and N-doped graphene by CVD method from liquid precursors for promising electrode materials
PublikacjaIn this study, high-quality and few-layered graphene was synthesized using the chemical vapor deposition (CVD) method from liquid sources. Two different liquid carbon sources, pyridine, and benzene, were used and deposited on nickel foam under heat conditions using a bubbler in a quartz tube. X-ray diffraction (XRD) and Raman analysis confirmed the crystalline properties of graphene and N-doped graphene, demonstrating the high...
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Hierarchical predictive control of integrated wastewater treatment systems
PublikacjaThe paper proposes an approach to designing the control structure and algorithms for optimising control of integrated wastewater treatment plant-sewer systems (IWWTS) under a full range of disturbance inputs. The optimised control of IWWTS allows for significant cost savings, fulfilling the effluent discharge limits over a long period and maintaining the system in sustainable operation. Due to the specific features of a wastewater...
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„Space, architecture and infrastructure “in-between cities”.
PublikacjaThe article presents contemporary city problems, like division of the city, infrastructural barriers, empty spaces, chaotic development, cuting-off areas, threatening the city image and functioning. These problems can be best observed in the areas in-between cities. One of the main questions for urban planners and architects seems thus to be: how to connect the city spaces instead of creating the barriers, how to create the areas...
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The influence of pre- and postharvest treatments on selected biological and epigenetic activities of Brassica sprouts
PublikacjaIntroduction The Brassica vegetables are rich in glucosinolates (GLs), which are enzymatically hydrolysed to bioactive isothiocynates (ITC) and indoles, regarded as the most promising chemopreventing agents. However, in the majority of brassica sprouts the GL conversion into these beneficial derivatives occurs at the level of about 1 %, while in cabbage leaves exceeds 70%. Since sprouts represent plant material, which is frequently...
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Evaluation of Selected Heavy Metal Contaminants as Well as Nitrates and Nitrites in the Microgreens of Nigella (Nigella sativa L.), Safflower (Carthamus tinctorius L.), and Camelina (Camelina sativa L.) at Different Stages of Vegetation
PublikacjaMicrogreens are a new, rapidly growing group of foodstuffs. The decorative function of these is often accompanied by their use in traditional dishes. As microgreens are eaten at very early stages, when the development of the epidermis is at its minimum, the bioavailability of minerals will be found to be higher in microgreens then in mature vegetables. So, microgreens can be an excellent functional food, especially for mineral-deficient...
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Unprecedented Adhesive Performance of Propylene-Based Hydroxyl Functionalized Terpolymers
PublikacjaThe synthesis of hydroxyl functionalized propylene-based terpolymers and their performance as hot melt adhesives were investigated. The products comprise uniformly distributed butyl and 4-hydroxyl-butyl branches along the polypropylene backbone. Despite the low hydroxyl-functionality level of ≤ 0.5 mol%, hydroxyl functionalized terpolymers show formidable adhesion to aluminum and steel providing an adhesive strength exceeding 16...
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Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6
PublikacjaBismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photogenerated charge carriers. Herein, density functional theory (DFT) simulations revealed that the formation of a thermodynamically stable AgInS2(112)/Bi2WO6(010) heterojunction could promote charge separation and enhance the photoactivity of Bi2WO6. To confirm these theoretical predictions, a new type of photocatalysts in the form...
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‘Acridines’ as New Horizons in Antifungal Treatment
PublikacjaFrequent fungal infections in immunocompromised patients and mortality due to invasive mycosis are important clinical problems. Opportunistic pathogenic Candida species remain one of the leading causes of systemic mycosis worldwide. The repertoire of antifungal chemotherapeutic agents is very limited. Although new antifungal drugs such as lanosterol 14α-demethylase and β-glucan synthase inhibitors have been introduced into clinical...
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Stress Relaxation Behaviour Modeling in Rigid Polyurethane (PU) Elastomeric Materials
PublikacjaPolyurethane (PU) has been used in a variety of industries during the past few years due to its exceptional qualities, including strong mechanical strength, good abrasion resistance, toughness, low-temperature flexibility, etc. More specifically, PU is easily “tailored” to satisfy particular requirements. There is a lot of potential for its use in broader applications due to this structure–property link. Ordinary polyurethane items...
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Religious social action and its organizational profiles
PublikacjaPurpose Social action implemented by the Church via its affiliated entities, foundations and associations may be viewed as a uniform activity. In reality, however, several organizational profiles exist that depend on the origin of these organizations (lay or religious), the scope of their activities (local or general) and their dependence on resources (whether from public administration or civil society). The paper aims to discuss...