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Search results for: BIOMOLECULAR INTERACTIONS
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A Study in Experimental Methods of Human-Computer Communication for Patients After Severe Brain Injuries
PublicationExperimental research in the domain of multimedia technology applied to medical practice is discussed, employing a prototype of integrated multimodal system to assist diagnosis and polysensory stimulation of patients after severe brain injury. The system being developed includes among others: eye gaze tracker, and EEG monitoring of non-communicating patients after severe brain injuries. The proposed solutions are used for collecting...
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Problems of collisions between adjacent steel structures under earthquake excitation
PublicationNowadays, the high level of urbanization forces the designers to design closely-separated structures and to take into account many factors influencing the response of these structures, which may collide due to insufficient separation distance during moderate to strong ground motions. Recent observations as well as numerical and experimental investigations have confirmed that the interactions between structures may lead to significant...
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Regulation of Cellular Redox Homeostasis by (–)-Epicatechin and Cocoa Extracts—A Pilot Study
PublicationCocoa polyphenols play an important role in protection against diseases in which oxidative stress is implicated as a causal or contributing factor. The main aim of this study was to elucidate the influence of different cocoa extracts and main cocoa bioactive compound (–)-epicatechin on cell growth and support of antioxidant cellular barrier in colon adenocarcinoma cell line model (HT29). Results show that the tested cocoa bioactivity...
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Characteristic of Morpholinium Ionic Liquids as Gas Chromatography Stationary Phases with McReynolds Constants and Activity Coefficients at Infinite Dilution
PublicationIn this work, four ionic liquids based on N-alkyl-N-methylmorpholinium cation ([Mor1,R] where R= 2, 4, 8, 10) and bis(trifluoromethanesulfonyl)imide anion [TFSI] were synthesized. Using gas-liquid chromatography a number of parameters describing the sorption properties of the investigated ionic liquids were determined. The values of Kovats indices, McReynolds constants, and activity coefficients at infinite dilution were the basis...
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Simplified AutoDock force field for hydrated binding sites
Publicationhas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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REGULATION OF CELLULAR REDOX HOMEOSTASIS BY (-)-EPICATECHIN AND COCOA EXTRACTS – PILOT STUDY
PublicationCocoa polyphenols play an important role in protection against diseases in which oxidative stress is implicated as a causal or contributing factor. The main aim of this study was to elucidate the influence of different cocoa extracts and main cocoa bioactive compound (–)-epicatechin on cell growth and support of antioxidant cellular barrier in colon adenocarcinoma cell line model (HT29). Results show that the tested cocoa bioactivity...
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Screening of predicted synergistic multi-target therapies in glioblastoma identifies new treatment strategies
PublicationAbstract Background IDH-wildtype glioblastoma (GBM) is a highly malignant primary brain tumor with a median survival of 15 months after standard of care, which highlights the need for improved therapy. Personalized combination therapy has shown to be successful in many other tumor types and could be beneficial for GBM patients. Methods We performed the largest drug combination screen to date in GBM, using a high-throughput effort...
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Modelling of Ship’s Heeling and Rolling for the Purpose of Gantry Control Improvement in the Course of Cargo Handling Operations in Sea Ports
PublicationThe paper presents two proposals of models of interaction between a ship and cargo being loaded or discharged by a gantry in port, in terms of heeling and rolling of the vessel. The main purpose of such modelling is the need for improvement of gantry control with regard to faster operations thanks to more accurate estimation of level and moment of cargo release from a gantry hook or spreader. The study may be the contribution to...
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Prognozowanie krzywej osiadania pala wierconego z iniekcją ciśnieniową pod podstawą
PublicationArtykuł jest kontynuacją tematyki autora dotyczącą mechanizmu działania iniekcji ciśnieniowej pod podstawą pala wierconego. W poprzednich publikacjach, autor wykazał, że iniekcja ta w głównej mierze uaktywnia zwiększone opory gruntu wzdłuż pobocznicy pala. Na tej podstawie w niniejszym artykule zaprezentowano procedurę obliczeniową prognozowania krzywą osiadania pala wierconego z iniekcją ciśnieniową pod podstawą. Przedstawiono...
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Silica Gel Impregnated by Deep Eutectic Solvents for Adsorptive Removal of BTEX from Gas Streams
PublicationThe paper presents the preparation of new adsorbents based on silica gel (SiO2) impregnated with deep eutectic solvents (DESs) to increase benzene, toluene, ethylbenzene, and p-xylene (BTEX) adsorption efficiency from gas streams. The DESs were synthesized by means of choline chloride, tetrapropylammonium bromide, levulinic acid, lactic acid, and phenol. The physico-chemical properties of new sorbent materials, including surface...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Semantic rules representation in controlled natural language in FluentEditor
PublicationThis paper presents a way of representation of semantic rules (SWRL) in controlled English in order to facilitate understanding the rules by humans interacting with a machine. This approach (implemented in FluentEditor) may be applied in many domains, where the understandability of the rules used to support a decision process is of great importance.
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Enhanced trap-assisted recombination in organic semiconductors
PublicationAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....
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Modeling the impact of surface currents in a harbor using graph theory
PublicationEnsuring security in a harbor requires research into its infrastructure using spatial environmental data. This paper presents a methodology that defines the design of a graph for modeling the interactions between surface currents and moving objects. Combining this graph with port charts that integrate electronic navigation charts with coastal orthophotographs allows us to perform a multidimensional analysis. In addition, the complete...
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Fast Simulation-Driven Design of a Planar UWB Dipole Antenna with an Integrated Balun
PublicationThe paper presents a design of an ultra-wideband (UWB) antenna with an integrated balun. A fully planar balun interfacing the microstrip input of the structure to the coplanar stripline (CPS) input of the dipole antenna is introduced. The electromagnetic (EM) model of the structure includes the dipole, the balun, and the microstrip input to account for interactions over the UWB band. The EM model is adjusted for low reflection...
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Numerical solutions for large deformation problems in geotechnical engineering
PublicationThe problem of large deformations often occurs in geotechnical engineering. Numerical modeling of such issues is usually complex and tricky. The chosen solution has to implicate soil-soil and soil-structure interactions. In this paper, a review of the most popular numerical methods for large deformation problems is presented. The Coupled Eulerian-Lagrangian (CEL) method, the Arbitrary Lagrangian-Eulerian (ALE) method, the Smoothed...
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approximation of photonic crystal fibres with large air holes by the step index fibre model
PublicationAn equivalent step index fibre with a silica core and air cladding is used to model photonic crystal fibres with large air holes. We model this fibre for linear polarisation (we focus on the lowest few transverse modes of the electromagnetic field). The equivalent step index radius is obtained by equating the lowest two eigenvalues of the model to those calculated numerically for the photonic crystal fibres. The step index parameters...
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Quenching of bright and dark excitons via deep states in the presence of SRH recombination in 2D monolayer materials
PublicationTwo-dimensional (2D) monolayer materials are interesting systems due to an existence of optically non-active dark excitonic states. In this work, we formulate a theoretical model of an excitonic Auger process which can occur together with the trap-assisted recombination in such 2D structures. The interactions of intravalley excitons (bright and spin-dark ones) and intervalley excitons (momentum-dark ones) with deep states located...
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Investigating the combined impact of plasticizer and shear force on the efficiency of low temperature reclaiming of ground tire rubber (GTR)
PublicationIn the present work, ground tire rubber (GTR) was mechano-chemically reclaimed at ambient temperature using two-roll mills. Road bitumen and styrene-butadiene-styrene (SBS)-modified bitumen at variable content (in range: 2.5–20 phr) were applied as reactive plasticizers to enhance reclaiming of GTR. For better understanding the plasticizing effect of bitumen on the quality of obtained reclaimed rubber, mechano-chemically reclaimed...
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Comparison of classical and modern approach of determination of highly polar compounds by High Performance Liquid Chromatography coupled with Tandem Mass Spectrometry
PublicationAbstract: Sugars and sugar alcohols are known as highly polar compounds. Four analytes were taken into consideration for comparison of classical and modern approach of separation of highly polar substances. Mannitol was chosen as an example of simple sugar alcohol, sucrose and lactulose as examples of disaccharides and structural isomers, raffinose as an example of complex trisaccharide. Raffinose was also used as internal standard...
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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
PublicationIn this paper, the solubility of carbon dioxide (CO2) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and the TraPPE model for CO2. In particular, the solubility of CO2 in water when in contact with the CO2 liquid phase and the solubility of CO2 in water when in contact with the hydrate have been determined. The solubility of CO2 in a liquid–liquid...
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The effects of the IM1-12Br ionic liquid and the oxytetracycline mixture on selected marine and brackish microorganisms
PublicationThe number of applications and commercialized processes utilizing ionic liquids has been increasing, and it is anticipated that this trend will persist and even intensify in the future. Ionic liquids possess desirable characteristics, such as low vapor pressure, good water solubility, amphiphilicity, and stability. Nevertheless, these properties can influence their environmental behavior, resulting in resistance to biotic and abiotic...
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Characterization of diatomaceous earth coated with nitrated asphaltenes as superior adsorbent for removal of VOCs from gas phase in fixed bed column
PublicationAsphaltenes isolated from bitumen possess unusual adsorption characteristics that can be further enhanced by chemical modifications to promote interactions with VOCs’. Herein, nitrated asphaltenes are used as an active layer coated on a surface of a diatomaceous earth, in order to prepare an efficient adsorbent (AsfNitro). Breakthrough experiments with benzene, pyridine, and 1-nitropropane revealed significant increase in adsorption...
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Successive cytotoxicity control by evolutionary surface decorated electronic push-pull green ZnCr-LDH nanostructures: Drug delivery enlargement for targeted breast cancer chemotherapy
PublicationThe reason for the increasing bioavailability and biocompatibility of the porous nanomaterials in the presence of different (bio)molecules is still unknown. The role of difference functional groups and their interactions with the potential bioavailability and biocompatibility is of great importance. To investigate the potential contribution of the electronic effects (especially on the surface of the porous nanomaterials) on their...
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Preventing of earthquake-induced pounding between steel structures by using polymer elements – experimental study
PublicationPounding between two, or more, adjacent buildings during earthquakes has been identified as one of the reasons for substantial damage or even total collapse of colliding structures, so it has been the subject of numerous studies in the recent years. A major reason leading to interactions between adjacent, insufficiently separated structures results from the differences in their dynamic properties. A number of different methods...
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Taurine as a water structure breaker and protein stabilizer
PublicationThe enhancing effect on the water structure has been confirmed for most of the osmolytes exhibiting both stabilizing and destabilizing properties in regard to proteins. The presented work concerns osmolytes, which should be classified as “structure breaking” solutes: taurine and N,N,N-trimethyltaurine (TMT). Here, we combine FTIR spectroscopy, DSC calorimetry and DFT calculations to gain an insight into the interactions between...
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Solubility enhancement of metronidazole using natural deep eutectic solvents: Physicochemical and thermodynamic studies
PublicationThis research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with...
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Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublicationThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
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Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublicationThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
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Reduced order model of 2d system
PublicationA new method of modelling is developed for static and dynamic analysis of two-dimensional elastic bodies. In the analysis, an elastic body is divided into strips. For each one-dimensional strip the reduced modal model is build up. The modal model contains appropriate number of inputs and outputs to connect lumped interaction that occur between strips. Proposed method of modelling enables to obtain more accurate and more simple...
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Measuring the immeasurable: system usability, user satisfaction, and quality management.
PublicationZmierzyć niemierzalne: funkcjonalność systemu, satysfakcja użytkownika a zarządzanie jakością.W artykule przedyskutowano możliwości opracowania nowego podejścia badawczego łączącego badania funkcjonalności, badania konsumenckie oraz wybrane techniki zarządzania jakością. Perspektywa badań konsumenckich jest postrzegana jako szczególnie obiecująca w kontekście rozwijającego się rynku produktów interaktywnych oraz dalszego rozwoju...
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Modelling Of Commercial Websites. A New Perspective On Usability And Customer Relation
PublicationFrom an economic point of view, a critical aspect of online services is their ability to retain customers. The aim of presented study was the use of a layered model VIPR (Visual - Interaction - Process - Relation ) for commercial services online. The indicator of trust and establishing lasting relationships were assessment achieved from experienced users of commercial online services (n = 207), obtained by means of Web Credibility...
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Ultrasound monitoring for evaluation of damage in reinforced concrete
PublicationThe paper deals with automated monitoring of damage evolution in concrete elements subjected to three-point bending tests. The monitoring is based on the nonlinear interactions of traveling ultrasonic waves with micro-crack zones inside the concrete specimens and surface-breaking cracks. The developed procedure assumes semi-continuous ultrasonic testing during the element full loading cycle and generation of the power spectral...
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Anomalous decay of quantum correlations of quantum-dot qubits
PublicationWe study the evolution of quantum correlations, quantified by the geometric discord, of two excitonic quantum-dot qubits under the influence of the phonon environment. We show that the decay of these correlations differs substantially from the decay of entanglement. Instead of displaying sudden-death-type behavior, the geometric discord shows a tendency to undergo transitions between different types of decay, is sensitive to nonlocal...
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublicationEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate
PublicationIn the title compound, NH4+·(C2H5O)2PS2−, the ammonium cation is connected by four charge-assisted N−H···S hydrogen bonds to four tetrahedral O,O'-diethyl dithiophosphate anions, forming layers parallel to (100). The polar and non-polar constituents of the layers are stacked alternately along [100]. Interlacing of the external ethyl groups...
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The Role of Proteins in Food
PublicationThis chapter describes the effect of proteins on the sensory attributes and the biological value and safety of foods. The role of proteins depends on their amino acid composition and structure, on changes due to storage and processing, as well as on interactions with other food components. The effect on the sensory quality of foods is brought about by hydrophobicity, solubility, water holding capacity, gelling, film formation,...
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Anion binding by p-aminoazobenzene-derived aromatic amides: spectroscopic and electrochemical studies
PublicationThe synthesis and complexing properties of p-aminoazobenzene-derived mono-, bis-, and trisamides were described. Ligands 3 and 4 bind anions, including fluorides, chlorides, bromides, acetates, benzoates, dihydrogen phosphates, hydrogen sulfates, and p-toluenesulfonates, in chloroform forming 1 : 1 complexes. The highest value of stability constant was evaluated for the 4-F− complex (log K = 5.63 ± 0.21). On the basis of 1H NMR,...
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The Application of Vibration Recording and Analysis in Tribological Research on Sliding Friction
PublicationThe paper reports on a tribological research on the macroscopic manifestation and characteristics of sliding friction. The aim of the task was to measure friction in lubricated sliding contacts and test the interactions between the environment (the test rig) and the experimental friction contact. Friction-induced vibrations were observed and studied as a manifestation of the process. The typical set of velocity and force/torque...
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The dimensions of national competitiveness: the empirical analysis based on The World Economic Forum’s data
PublicationThe aim of this research is to determine the minimum number of uncorrelated dimensions which can describe national competitiveness (NC). NC is thought of as the ability of a nation to provide a conducive environment for its firms to prosper. It is shown that the environment affects national productivity catalytically through the interactions with the production factors while itself remaining unchanged. Selected World Economic...
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Computer-aided analysis of signals from a low-coherence Fabry-Perot interferometer used for measurements of biological samples
PublicationThe aim of the study was to develop an automated computer-aided system for analysis of spectrograms obtained from measurements of biological samples performed with a low-coherence Fabry-Pérot interferometer. Information necessary to determine dispersion characteristics of measured materials can be calculated from the positions of the maxima and minima that are present in their spectra. The main challenge faced during the development...
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Investigation of Transmit and Receive Characteristics of Laboratory Model for the Parametric Echosounder
PublicationInvestigation and operation of devices based on nonlinear interaction of high-intensity waves have been carried out for several decades. However, it is still a new tool to study the properties of the water environment and especially the upper layers of the seabed. This paper describes the results of tests of the new device that is intended to be applied for sounding underwater areas. The device has been designed and built in collaboration with...
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Redefiniowanie przestrzeni medycznej = Redefining healthcare space
PublicationSzpital jest obiektem publicznym, budynkiem-miastem, jego architektura nakierowana jest na realizację procesu leczenia i zdrowienia, a jednocześnie formuje przestrzenne ramy mikrokosmosu interakcji społecznych rozgrywających się pomiędzy pacjentami i personelem, gośćmi i „mieszkańcami”. Współcześnie w podejściu do rozumienia czym jest szpital - a zatem również do kształtowania architektury obiektów medycznych - można zauważyć dwa...
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Długie pociągi
PublicationWskazano, że przy wprowadzaniu długich pociągów pojawiają się możliwości, ale i ograniczenia różnej natury oraz problemy do rozwiązania. Inne w przypadku długich pociągów i inne w przypadku ciężkich pociągów. Pokazano długie pociągi, jako szansę na polepszenie bezpieczeństwa na drogach, poprzez ograniczenie na nich ruchu samochodów ciężarowych. Łatwiej będzie w praktyce realizować pomysł „Tiry na tory” Długie pociągi są szansą...
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Algebraic periods and minimal number of periodic points for smooth self-maps of 1-connected 4-manifolds with definite intersection forms
PublicationLet M be a closed 1-connected smooth 4-manifolds, and let r be a non-negative integer. We study the problem of finding minimal number of r-periodic points in the smooth homotopy class of a given map f: M-->M. This task is related to determining a topological invariant D^4_r[f], defined in Graff and Jezierski (Forum Math 21(3):491–509, 2009), expressed in terms of Lefschetz numbers of iterations and local fixed point indices of...
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Electrochemical determination of neurotransmitter serotonin using boron/nitrogen co-doped diamond-graphene nanowall-structured particles
PublicationElectrode fouling is a major issue in biological detection due to the adhesion of the protein itself and polymerization of biomolecules on the electrode surface, impeding the electron transfer ability and decreasing the current response. To overcome this issue, the use of anti-fouling material, especially boron-doped diamond (BDD) electrode, is an alternative way. However, the electrocatalytic activity of BDD is inadequate compared...
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Qualitative analysis of phospholipids and their oxidised derivatives – used techniques and examples of their applications related to lipidomic research and food analysis
PublicationPhospholipids (PLs) are important biomolecules that not only constitute structural building blocks and scaffolds of cell and organelle membranes, but also play a vital role in cell biochemistry and physiology. Moreover, dietary exogenous PLs are characterized by high nutritional value and other beneficial health effects, which are confirmed by numerous epidemiological studies. For this reason, PLs are of high interest in lipidomics...
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublicationBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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Analiza numeryczna wpływu długości zakotwienia pręta na zachowanie przyczepności w teście pull-out
PublicationW artykule przedstawiono symulacje numeryczne testu pull-out w programie ABAQUS. Symulacje miały na celu ocenienie wpływu długości zakotwienia pręta żebrowanego na przyczepność w tym teście, opierając się na wynikach przeprowadzonych eksperymentów. Interakcję pręta z betonem odwzorowano za pomocą kohezyjnej powierzchni kontaktu, wykorzystując skalibrowane krzywe przyczepność-poślizg, otrzymane z doświadczeń wykonanych w ramach...
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Self diagnostics using smart glasses - preliminary study
Publicationn this preliminary study we analyzed the possibility of the reliable measurement of biomedical signals with some potential hardware extensions of smart glasses. Using specially designed experimental prototypes four category of biomedical signals were measured: electrocardiograms, electromyograms, electroencephalograms and respiration waveforms. Experi- ments with volunteers proved that using even simple construc- tion of sensors...