Wyniki wyszukiwania dla: FUNCTIONAL MATERIAL
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublikacjaWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Influence of different cultivation systems on bioactivity of asparagus
PublikacjaEvaluation of functional and bioactive compounds of Asparagus officinalis L. growing in conventional and organic greenhouse and conventional open –field farming was the aim of this research. Polyphenols in cladodes grown conventionally were higher than organic. Flavonoids and carotenoids were the highest in cladodes in open field. Organic spears were richer in total phenolics (+6.9% and +19.1%) and flavonoids (+4.7% and 16.8%)...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublikacjaMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Interference between Land and Sea Logistics Systems. Multifunctional Building System Design Towards Autonomous Integrated Transport Infrastructure
PublikacjaThe research is focused on developing design theory towards efficient multifunctional facilities for logistics supply chains in the contemporary urban city structures. The development of modern systems based on autonomous transport creates new conditions for their management and generates an emerging need to define dedicated functional service structures. An important element of consideration also taken into account is the scenario...
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Design of residential buildings in architecture education
PublikacjaThis article is based on an analysis of residential building designs made by students of the Faculty of Architecture at Gdańsk University of Technology (FA-GUT), Poland, and on the results of a survey conducted among these students. The purpose of the survey was to verify the broad, interdisciplinary knowledge of the students required in preparation for taking up design issues, as well as their ability to use this knowledge in...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublikacjaWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Analysis of the Possibilities of Applying 3D Print Methods for the Needs of Ship-Building Industry
PublikacjaArticle presents the analysis of applying additive and hybrid manufacturing methods and its impact on dynamic stiffness of prepared samples. Dynamic analysis of the handle bracket specimens consisted in plotting the resonance curves and using these curves to estimate the dynamic stiffness of elements produced with additive manufacturing technology. Authors focused especially on 3D print in Fused Deposiotion Modeling/Fused Filament...
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Lipids and Food Quality
PublikacjaThis chapter deals with lipids present in food as well as their chemical, biological, and functional properties. The chapter begins with a presentation of the main groups of lipids including their chemical structure and physical properties. The physical properties of lipids affecting food processing are covered. Then, the role of lipids in human nutrition is presented. This is followed by a description of the undesirable changes...
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublikacjaWe 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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Bacterial cellulose vs. bacterial cellulose nanocrystals as stabilizer agents for O/W pickering emulsions
PublikacjaThe 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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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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Towards β-selectivity in functional estrogen receptor antagonists
PublikacjaBased on the benzo[b]naphtho[1,2-d]furan and benzo[b]naphtho[1,2-d]thiophene frameworks, a series of ligands with different basic side chains (BSCs) has been synthesized and pharmacologically evaluated. Also, their binding modes have been modelled using docking techniques. It was found that the introduction of a BSC in these systems brings about a decrease of affinity for both estrogen receptors α and β in an in vitro competitive...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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"Food Oxidants and Antioxidants" Book review
PublikacjaThe book is the 14th title in the CRC series Chemical and Functional Properties of Food Components, edited since 2001 by Zdzisław E. Sikorski. The editor of the book, a professor in the University of Łódź and member of the Polish Academy of Sciences, is an internationally recognized authority in biochemistry and biophysics of reactive oxygen species. In Poland Grzegorz Bartosz has a reputation as the author of his most interesting...
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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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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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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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Cold-Active beta-Galactosidases: Sources, Biochemical Properties and Their Biotechnological Potential
Publikacjabeta-D-Galactosidases have been studied extensively in terms of their application to a variety of industrial technologies. To date, considerable research efforts have been devoted to characterization of new cold-active beta-D-galactosidases which were isolated directly from selected species of bacteria and yeasts, as well as with the use of metagenomic approaches. This chapter will provide a review of current research towards cold-active...
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Potential of Polish R&D industry in the context of prototyping, design, development and control of a dedicated national satellite SAR system for marine ecosystem monitoring. Technical paper - preliminary study
Publikacjapace technology is currently one of the most important elements in the advance of information societies and knowledge-based economies all over the world. The European Space Agency (ESA) is in the focal point of European space activities, while the European Union provides strong financial support for the development of space technologies and applications in its flagship programs. In a domestic scope, the Polish Space Agency (POLSA)...
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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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Cache service for maps presentation in distributed information data exchange system
PublikacjaThe 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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COMBINING FUNCTIONAL AND AESTHETIC ASPECTS OF DAYLIGHTING IN SUSTAINABLE ARCHITECTURE WITH THE USE OF DIGITAL DESIGN METHODS
PublikacjaThe aesthetics of modern architecture should relate to its origins and goals - the environment, function, sustainability and its users. One of the conditions that meet the criteria is the presence of daylight and the use of its potential. The contemporary digital tools that support the design process allow to controlling the use of difficult and capricious materials, such as daylight. They also combine daylighting aspects with...
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Low-Temperature Requirements for Bitumen in Central East European Road Construction
PublikacjaThe 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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Possible directions for development of C-ITS services in cities on the example of the TRISTAR System
PublikacjaDuring 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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Salinity enhances high optically active L-lactate production from co-fermentation of food waste and waste activated sludge: Unveiling the response of microbial community shift and functional profiling
PublikacjaLactic acid (LA), a versatile platform molecule, can be fermented from organic wastes, such as food waste and waste activated sludge. In this study, an efficient approach using salt, a component of food waste as an additive, was proposed to increase LA production. The LA productivity was increased at 10 g NaCl/L and optical pure L-lactate was obtained at 30 g NaCl/L. The enhancement of LA was in accordance with the increased solubilization...
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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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A method for the three-dimensional and synchronous resolution of functional and spatial matters in architectural design
PublikacjaThe article discusses the issue of applied methods of teaching architectural design at Polish universities. The authors review the common methods based on conceptual drawings solving design problems in only two dimensions. After completing the floor plans' sketching process carried out in 2D way the 3D virtual models are made - seldom cardboard mock-ups - to illustrate the final spatial form of the designed object. At the Faculty...
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Systems engineering approach to functional safety and cyber security of industrial critical installations
PublikacjaThis chapter addresses the systems engineering approach to integrated functional safety and cybersecurity analysis and management regarding selected references, standards and requirements concerning critical installations and their industrial automation and control system (IACS). The objective is to mitigate the vulnerability of industrial installations that include the information technology (IT) and the operational technology...
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Systems engineering approach to functional safety and cyber security of industrial critical installations
PublikacjaThis chapter addresses the systems engineering approach to integrated functional safety and cybersecurity analysis and management regarding selected references, standards and requirements concerning critical installations and their industrial automation and control system (IACS). The objective is to mitigate the vulnerability of industrial installations that include the information technology (IT) and the operational technology...
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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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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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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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A note on the Morse homology for a class of functionals in Banach spaces involving the 2p-area functional
PublikacjaIn this paper we show how to construct Morse homology for an explicit class of functionals involving the 2p-area functional. The natural domain of definition of such functionals is the Banach space W_0^{1,2p}(\Omega), where p > n/2 and \Omega \subet R^n is a bounded domain with sufficiently smooth boundary. As W_0^{1,2p}(\Omega) is not isomorphic to its dual space,critical points of such functionals cannot be non-degenerate...
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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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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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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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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
PublikacjaThe 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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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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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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Kombucha from alternative raw materials – The review
PublikacjaNowadays, 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
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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Influence of the Addition of Selected Spices on Sensory Quality and Biological Activity of Honey
PublikacjaBee 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
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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Upgrading low value-added activities in global value chains: a functional specialisation approach
PublikacjaThis paper aims to identify patterns of functional specialisation (FS) in global value chains (GVCs) and determinants of upgrading them for selected Central Eastern European (CEE) economies. By combing the World Input-Output Database with data on occupations, we reveal a new FS pattern among subgroups of CEEs. Poland and Slovakia have an unfavourable GVC position and specialise in low value-added fabrication function. In contrast,...
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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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ZnO coated fiber optic microsphere sensor for the enhanced refractive index sensing
PublikacjaOptical 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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Properties of Different Varieties of Durian
PublikacjaDurian (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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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...