Search results for: Functional analysis
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Low-Temperature Requirements for Bitumen in Central East European Road Construction
PublicationThe paper presents the proposition of special assessment of lowtemperature requirements for bitumens in the region of Central and Eastern Europe where there is a moderate transitional area from sea to the continental type of climate. The results of the research program conducted on the road neat bitumens, Styrene-Butadiene-Styrene polymer and polymer-rubber modified bitumen, and multigrade bitumen types were presented and discussed....
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Bacterial cellulose vs. bacterial cellulose nanocrystals as stabilizer agents for O/W pickering emulsions
PublicationThe growing interest in Pickering emulsions in functional food systems resulted in the need to find suitable stabilizers for them. The work considers the use of bacterial cellulose for this purpose, and its aim was to compare the properties of disintegrated bacterial cellulose, before and after freeze-drying, and its nanocrystals obtained using H2SO4 under variable of time and concentration conditions. The structure of nanocrystals...
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublicationWe studied the electronic and magnetic properties of wurtzite GaN (w-GaN) doped with different concentrations of the 4d transition metal ions Nb, Mo, and Ru. We incorporated spin-polarized plane-wave density functional theory within an ultrasoft pseudopotential formalism. The 4d transition metals were doped at different geometrical sites to determine the geometry with the lowest total energy and the one that induced the largest...
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Frequency-Based Regularization for Improved Reliability Optimization of Antenna Structures
PublicationThe 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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Possible directions for development of C-ITS services in cities on the example of the TRISTAR System
PublicationDuring the previous EU financial perspective (2007 - 2013), we observed an intensification of the evelopment of transport management systems using ITS services in Polish cities. One of the biggest territorially and functionally system is Tri-city TRISTAR system, the implementation of which was completed in 2015. The concept of the TRISTAR system and its architecture was developed in the years 2002-2007. Currently, we can observe...
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Cache service for maps presentation in distributed information data exchange system
PublicationThe paper presents the proposition of caches implementation for map presentation in distributed information data exchange system. The concept of cache service is described in the context of distributed information data exchange system elements which control and present on maps positions and other identification data of vessels and other suspicious objects on the territorial sea, sea-coast and the internal sea-waters. The proposed...
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Representation of magnetic hysteresis in a circuit model of a single-phase transformer
PublicationThe 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
PublicationDensity 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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Synthesis of thiol derivatives of azobenzocrown ethers. The preliminary studies on recognition of alkali metal ions by gold nanoparticles functionalized with azobenzocrown and lipoic acid
PublicationThe article presents the synthesis of novel 13- and 16-membered azobenzocrown derivatives with peripheral thiol moieties and preliminary studies assessing their possible application in plasmonic sensors based on gold nanoparticles. The effect of the length of the chain connecting the macrocycle with the thiol group and the effect of the presence of the additional functional compound,...
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Using human behavior to develop knowledge-based virtual organisations
PublicationPropozycja 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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Ideas of the New European Bauhaus (NEB) in architectural education
PublicationThe 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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Special techniques and future perspectives: Simultaneous macro- and micro-electrode recordings
PublicationThere 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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To what extent can hyperelastic models make sense the effect of clay surface treatment on the mechanical properties of elastomeric nanocomposites?
PublicationThe poor knowledge about nonlinear mechanical behavior of elastomer nanocomposites arises from the incomplete information on the interface. Application of hyperelastic models provides more insights into the nature and the situation of interaction between the elastomeric matrix and nanofillers. The current work seeks to address the effect of interphase strength on tensile properties of the elastomer nanocomposites under large deformations....
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ZnO coated fiber optic microsphere sensor for the enhanced refractive index sensing
PublicationOptical fiber-based sensors are expected to become key components in the control of industrial processes,and the tuning and the enhancement of their sensing properties are crucial for the further developmentof this technology. Atomic Layer Deposition (ALD), a vapor phase technique allowing for the deposition ofconformal thin films, is particularly suited for the deposition of controllable thin films on challenging sub-strates....
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Kombucha from alternative raw materials – The review
PublicationNowadays, people's awareness about the role of diet in maintaining well-being and good health has increased. Consumers expect that the products not only provide them with essential nutrients but will also be a source of biologically active substances, which are beneficial to their health. One of the "healthy trends," which has appeared among the consumers worldwide is kombucha, a tea drink with high antioxidant potential, obtained...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe 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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Influence of the Addition of Selected Spices on Sensory Quality and Biological Activity of Honey
PublicationBee honey is nutritious and has numerous health benefits, but its taste is for many people too bland. Honey with addition of spices could be important to the food industry as a functional product with positive health image and interesting taste. Such product would definitely meet health-driven consumers’ expectations. Therefore, the aim of this study was to evaluate the effect of addition of selected spices on sensory, antimicrobial,...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublicationFo 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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Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ
PublicationBa1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is...
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Properties of Different Varieties of Durian
PublicationDurian (Durio zibethinus Murr.), like many other exotic, tropical, and conventional fruits, is important in the prevention of different diseases. In this study, the characterization of the main bioactive compounds of the most popular cultivars of durian and their properties are described. The changes in the quality indices of the antioxidant status were determined by CUPRAC, ABTS, FRAP, DPPH, and ORAC assays. The profiling of phytochemicals...
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Preparation of Hydrogen Electrodes of Solid Oxide Cells by Infiltration: Effects of the Preparation Procedure on the Resulting Microstructure
PublicationIn 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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Development of Strategies for AOB and NOB Competition Supported by Mathematical Modeling in Terms of Successful Deammonification Implementation for Energy-Efficient WWTPs
PublicationNovel 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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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe 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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Heterogeneity of quaternary structure of glucosamine-6-phosphate deaminase from Giardia lamblia
PublicationThe oligoHis-tagged versions of glucosamine-6- phosphate deaminase from Giardia lamblia (GlmNagB-HisN, GlmNagB-HisC) were constructed and purified to hear homogeneity, and their kinetic and structural properties were compared to those of the wild-type enzyme (GlmNagB). Introduction of the oligoHis tag at the GlmNagB C-terminus resulted in almost complete loss of the catalytic activity, while the catalytic properties of GlmNagB-HisN...
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Electronic structure of TbBa2Cu3O7
PublicationW 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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Mangiferin: A comprehensive review on its extraction, purification and uses in food systems
PublicationWith the target of fabricating healthier products, food manufacturing companies look for natural-based nutraceuticals that can potentially improve the physicochemical properties of food systems while being nutritive to the consumer and providing additional health benefits (biological activities). In this regard, Mangiferin joins all these requirements as a potential nutraceutical, which is typically contained in Mangifera indica...
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A new diagnostic IR-thermal imaging method for evaluation of cardiosurgery procedures
PublicationTwo 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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Optoelectronic properties of curved carbon systems
PublicationSystematic 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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Graphene-Coated PVDF Membranes: Effects of Multi-Scale Rough Structure on Membrane Distillation Performance
PublicationGraphene-coated membranes for membrane distillation have been fabricated by using a wet-filtration approach. Graphene nanoplatelets have been deposited onto PVDF membrane surfaces. Morphology and physicochemical properties have been explored to evaluate the changes in the surface topography and related effects on the membrane performance in water desalination. The membranes have been tested in membrane distillation plants by using...
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Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublicationAt 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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Antibacterial Porous Systems Based on Polylactide Loaded with Amikacin
PublicationThree porous matrices based on poly(lactic acid) are proposed herein for the controlled release of amikacin. The materials were fabricated by the method of spraying a surface liquid. Description is given as to the possibility of employing a modifier, such as a silica nanocarrier, for prolonging the release of amikacin, in addition to using chitosan to improve the properties of the materials, e.g., stability and sorption capacity....
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IR-THERMAL IMAGING IN CARDIOSURGERY
PublicationA 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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Four-state stochastic model of changes in the reliability states of a motor vehicle
PublicationThe properties of semi-Markov processes have been generally characterized and the applicability of the theory of such processes to the determining of the reliability of motor cars and other road vehicles has been explained. A formal description of the process of changes in the motor vehicle technical states considered as reliability states and a model of this process in the form of a one-dimensional stochastic process have been...
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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublicationThe 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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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-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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Variations in host surfaces morphology and biology of ciliate epibionts explaining distribution pattern of epibionts in the invasive signal crayfish Pacifastacus leniusculus (Dana, 1852)
Publicationciliates 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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Maillard-reaction (glycation) of biopolymeric packaging films; principles, mechanisms, food applications
PublicationBackground The biodegradable, biocompatible, sustainable, and renewable nature of biomaterials has led to increased interest in developing biopolymeric food packaging films (BFPFs) with green ingredients and strategies. To enhance the performance of these films, biopolymer molecules can be modified or combined with additives like nanomaterials, cross-linkers, bioactive compounds, and other polymers, particularly with Maillard-reaction...
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Mechanochemically synthesized Mn3O4@β-cyclodextrin mediates efficient electron transfer process for peroxymonosulfate activation
PublicationThe 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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Recycling of Waste Rubber by Thermo-Mechanical Treatment in a Twin-Screw Extruder
PublicationRecycling 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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Design aspects of a low-cost prosthetic arm for people with severe movement disabilities
PublicationIn 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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Natural carbon-based quantum dots and their applications in drug delivery: A review
PublicationNatural carbon based quantum dots (NCDs) are an emerging class of nanomaterials in the carbon family. NCDs have gained immense acclamation among researchers because of their abundance, eco-friendly nature, aqueous solubility, the diverse functionality and biocompatibility when compared to other conventional carbon quantum dots (CDs).The presence of different functional groups on the surface of NCDs such as thiol, carboxyl, hydroxyl,...
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Visible-light-driven lanthanide-organic-frameworks modified TiO2 photocatalysts utilizing up-conversion effect
PublicationHighly 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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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublicationHerein, we present a simple synthesis of mixed-valent phosphinophosphoranes bearing three- and five-coordinate phosphorus centers. Compounds with phosphorus–phosphorus bonds were synthesized via a reaction of lithium phosphides RR′PLi with cat2PCl (cat = catecholate), whereas derivatives with methylene-linked phosphorus centers were obtained via a reaction of phosphanylmethanides RR′CH2Li with cat2PCl. The presence of accessible...
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The Way One Defines Specification Matters: On the Performance Criteria for Efficient Antenna Optimization in Aggregated Bi-Objective Setups
PublicationDesign 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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Customizing nano-chitosan for sustainable drug delivery
PublicationChitosan is a natural polymer with acceptable biocompatibility, biodegradability, and mechanical stability; hence, it has been widely appraised for drug and gene delivery applications. However, there has been no comprehensive assessment to tailor-make chitosan cross-linkers of various types and functionalities as well as complex chitosan-based semi- and full-interpenetrating networks for drug delivery systems (DDSs). Herein, various...
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Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublicationFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
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Combined Long-Period Fiber Grating and Microcavity In-Line Mach–Zehnder Interferometer for Refractive Index Measurements with Limited Cross-Sensitivity
PublicationThis work discusses sensing properties of a long-period grating (LPG) and microcavity in-line Mach–Zehnder interferometer (µIMZI) when both are induced in the same single-mode optical fiber. LPGs were either etched or nanocoated with aluminum oxide (Al2O3) to increase its refractive index (RI) sensitivity up to ≈2000 and 9000 nm/RIU, respectively. The µIMZI was machined using a femtosecond laser as a cylindrical cavity (d = 60...
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Chemical surface etching methods for ground tire rubber as sustainable approach for environmentally-friendly composites development– a review
PublicationGround tire rubber (GTR) has been used as a sustainable low-cost modifier in various composites. However, due to the hydrophobic nature of GTR, it is in compatible with most matrices and results in deterioration in both mechanical and physical properties of composites. This necessitates pre-modification of the powdered rubber to improve the interfacial bonding at the rubber-matric interface. The most common GTR modification research...
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Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublicationLithium 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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A CMOS Pixel With Embedded ADC, Digital CDS and Gain Correction Capability for Massively Parallel Imaging Array
PublicationIn 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...