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Wyniki wyszukiwania dla: coupled problems
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Application of a commercially available derivatization instrument and commonly used reagents to HPLC on-line determination of antioxidants
PublikacjaThis study demonstrates the potential of a commercially available derivatization instrument coupled with HPLC for separation and on-line determination of antioxidants detected with widely used screening reagents - DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2'-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid) or FCR (Folin-Ciocalteu's phenol reagent ). As the result of optimization, key parameters of the analytical procedure,...
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Highly Integrable Planar-structured Printed Circularly Polarized Antenna for Emerging Wideband Internet of Things Applications in the Millimeter-Wave Band
PublikacjaThis paper proposes a numerically and experimentally validated printed wideband antenna with a planar geometry for Internet of Things (IoT) applications. This design tackles the challenges associated with deploying IoT sensors in remote areas or across extensive geographical regions. The proposed design exploits a coplanar-waveguide-fed modified microstrip line monopole for excitation of circularly polarized waves radiating in...
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A Closed Bipolar Electrochemical Cell for the Interrogation of BDD Single Particles: Electrochemical Advanced Oxidation
PublikacjaA closed bipolar electrochemical cell containing two conductive boron-doped diamond (BDD) particles of size 250 – 350 m, produced by high-pressure high-temperature (HPHT) synthesis, has been used to demonstrate the applicability of single BDD particles for electrochemical oxidative degradation of the dye, methylene blue (MB). The cell is fabricated using stereolithography 3D printing and the BDD particles are located at either...
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Comprehensive methodology for Staphylococcus aureus lipidomics by liquid chromatography and quadrupole time-of-flight mass spectrometry
PublikacjaStaphylococcus aureus is a common pathogen known to cause relatively minor infections as well as severe disorders in humans. Although there is fair amount of published data concerning various aspects of its biology, epidemiology, genetics, etc., there is still a scarce amount of data presenting reliable and thorough investigations regarding high-throughput analysis of total S. aureus lipid content. Therefore, the aim of this study...
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Capillary gas chromatography using a -cyclodextrin forenantiomeric separation of methylamphetamine, its precursors andchloro intermediates after optimization of the derivatization reaction
PublikacjatThe enantiomeric ratio of methylamphetamine (MAMP) is closely related to the optical activity of precur-sors and reagents used for the synthesis and this knowledge can provide useful information concerningthe origins and synthetic methods used for illicit manufacture. The information can be utilized for reg-ulation of the precursors and investigation of the manufacturing sources but this requires analyticalprocedures to determine...
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Inverse Modeling and Optimization of CSRR-based Microwave Sensors for Industrial Applications
PublikacjaDesign optimization of multivariable resonators is a challenging topic in the area of microwave sensors for industrial applications. This paper proposes a novel methodology for rapid re-design and parameter tuning of complementary split-ring resonators (CSRRs). Our approach involves inverse surrogate models established using pre-optimized resonator data as well as analytical correction techniques to enable rapid adjustment of geometry...
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A hierarchical porous composite magnetic sorbent of reduced graphene oxide embedded in polyvinyl alcohol cryogel for solvent‐assisted‐solid phase extraction of polycyclic aromatic hydrocarbons
PublikacjaA hierarchical porouscomposite magnetic sorbent was fabricated and applied tothe dispersive solvent-assisted solid-phase extraction of five polycyclic aromatichydrocarbons. A sorbent was first prepared by incorporating graphene oxide,calcium carbonate, and magnetite nanoparticles into a polyvinyl alcohol cryo-gel. The graphene oxide was converted to reduced graphene oxide using ascorbicacid and a hierarchical porous structure was...
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Determination of antifreeze substances in the airport runoff waters by solid-phase microextraction and gas chromatography–mass spectrometry method
PublikacjaA new method has been developed for the determination of antifreeze agents such as ethylene glycol (EG), propylene glycol (PG), and diethylene glycol (DEG) in the samples of airport runoff water. The method is based on headspace solid–phase microextraction (HS–SPME) of target analytes, which is coupled with gas chromatography–mass spectrometry (GC–MS). Until now, there was a lack of appropriate methodology for collecting reliable...
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Determination of fuel combustion product in airport runoff water samples using liquid–liquid extraction with gas chromatography–spectrometry
PublikacjaDetermination of xenobiotics in samples of airport runoff water is both a complex and indispensable task due to an increasing threat resulting from the activities of numerous airports. The aim of this study was to develop, optimize, and validate a procedure based on liquid–liquid extraction (LLE) coupled with gas chromatography–mass spectrometry (GC–MS) for the determination of polycyclic aromatic hydrocarbons (PAHs). So far, no...
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Distinction of clenbuterol intake from drug or contaminated food of animal origin in a controlled administration trial – the potential of enantiomeric separation for doping control analysis
PublikacjaThe differentiation of clenbuterol abuse and unintentional ingestion by contaminated meat is crucial with respect to the valuation of an adverse analytical finding in human sports doping control. The proportion of the two enantiomers of clenbuterol may serve as potential discriminating parameter. For the determination of the individual enantiomers, specific methods were developed and validated for the different matrices under investigation...
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Authenticity Assessment of the "Onisiówka" Nalewka Liqueurs Using Two-Dimensional Gas Chromatography and Sensory Evaluation
PublikacjaThe “Onisiówka” nalewka liqueur is a regional Polish alcoholic beverage, which is inscribed on the list of regional and traditional products of the Ministry of Agriculture and Rural Development in Poland. It is produced from multiflower honey, black elderberry flower syrup, and spirit. Due to fact that the “Onisiówka” nalewka liqueur has never been investigated, these studies are the foundation for further work on this regional...
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Phase I and phase II metabolism simulation of antitumor-active 2-hydroxyacridinone with electrochemistry coupled on-line with mass spectrometry.
PublikacjaHere, we report the metabolic profile and the results of associated metabolic studies of 2-hydroxyacridinone (2-OH-AC), the reference compound for antitumor-active imidazo- and triazoloacridinones. Electrochemistry coupled with mass spectrometry was applied to simulate the general oxidative metabolism of 2-OH-AC for the first time. The reactivity of 2-OH-AC products to biomolecules was also examined. The usefulness of the electrochemistry...
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Evaluation of flavour profiles in e-cigarette refill solutions using gas chromatography–tandem mass spectrometry
PublikacjaMany flavour compounds that are present in e-liquids for e-cigarettes are responsible for specific tastes and smoking sensations for users. Data concerning content and specific types of flavours is often limited and unknown to users. The aim of the research was to define and compare flavour profiles of e-liquids with the same group taste from different manufacturers. Gas chromatography coupled with tandem mass spectrometry (GC–MS/MS)...
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Analysis of volatile fraction selected hybrid fruits using chromatographic techniques
PublikacjaAt present, "healthy eating" is gaining in popularity. Many people associate this term with eating plenty of vegetables and fruits. The basic elements influencing the selection of fruit are their appearance and smell. Of course, their origin and impact on human health are also very important. In recent years, exotic fruits have become increasingly accessible, making them gaining popularity, even among Poles. You can also meet plants...
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Head-Space SPME for the Analysis of Organophosphorus Insecticides by Novel Silica IL-Based Fibers in Real Samples
PublikacjaThis work demonstrates the suitability of a newly developed ionic liquid (IL)-based silica SPME fiber for the determination of seven organophosphorus insecticides in cucumber and grapefruit samples by headspace solid-phase microextraction (HS-SPME) with a gas chromatography–flame ionization detector (FID). The sol-gel method released four different sorbent coatings, which were obtained based on a silica matrix containing ILs immobilized...
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Development of a new green analytical methodology for the determination of phthalates in single-use babies diapers using ultrasound-assisted extraction and polypropylene porous membrane
PublikacjaA green extraction strategy was developed and utilized for the extraction and determination of phthalates. The extraction is based on ultrasound-assisted extraction and a polypropylene porous membrane. The Box-Behnken model was performed to optimize the extraction condition. The optimal extraction conditions are 5.5 mL of ethyl acetate, 10 min of extraction time and 55 C for extraction temperature. The developed green extraction...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublikacjaFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Thermodynamic analysis of the Compressed Air Energy Storage system coupled with the Underground Thermal Energy Storage
PublikacjaImprovement of flexibility is one of the key challenges for the transformation of the Polish Power System aiming at a high share of renewable energy in electricity generation. Flexible and dispatchable power plants will contribute to this ongoing transformation process as they compensate for fluctuations in electricity generation from renewable energy sources such as wind and photovoltaics. In this context, CAES storage tanks are...
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A pore-scale thermo–hydro-mechanical model for particulate systems
PublikacjaA pore scale numerical method dedicated to the simulation of heat transfer and associated thermo–hydro-mechanical couplings in granular media is described. The proposed thermo–hydro-mechanical approach builds on an existing hydromechanical model that employs the discrete element method for simulating the mechanical behavior of dense sphere packings and combines it with the finite volume method for simulating pore space fluid flow...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublikacjaWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Looking Up to the Stars. A Call for Action to Save New Zealand’s Dark Skies for Future Generations to Come
PublikacjaThe rapid development of technology coupled with humanity’s desire to reach beyond terra firma, has resulted in more than 60 years of Outer Space activities. Although the exploration of space has provided many advantages and benefits to society so far, including vast, new information that has greatly added to our understanding of our planet and beyond, unfortunately, mankind’s footprint has negative aspects that need to be minimised...
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Assessment of diversity and composition of bacterial community in Sludge Treatment Reed Bed systems
PublikacjaDue to their low emission of odours and lack of the need to apply additional chemical agents, sludge treatment reed beds (STRBs) constitute an economically feasible and eco-friendly approach to sewage sludge management. Correctly designed and operated STRBs ensure effective reduction of the dry matter content coupled with the mineralisation of organic compounds. Successful operation of STRBs relies on complex interactions between...
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Recent advancements in LC‐MS based analysis of biotoxins: Present and future challenges
PublikacjaThere has been a rising concern regarding the harmful impact of biotoxins, source of origin, and the determination of the specific type of toxin. With numerous reports on their extensive spread, biotoxins pose a critical challenge to figure out their parent groups, metabolites, and concentration. In that aspect, liquid chromatography‐mass spectrometry (LC‐MS) based analysis paves the way for its accurate identification and quantification....
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The dispersive micro-solid phase extraction method for MS-based lipidomics of human breast milk*
PublikacjaA simple and rapid microextraction method ensuring high lipidome coverage was developed for liquid chromatography mass spectrometry (LC-MS)-based lipidomics of human breast milk. The dispersive microsolid phase extraction (D-µ-SPE) technique, coupled with the design of experiment (DoE) method, enabled the study of the influence of several conditions (desorption solvent, stationary phase ratio, and sorption and desorption time)...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublikacjaNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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A screening of select toxic and essential elements and persistent organic pollutants in the fur of Svalbard reindeer
PublikacjaReindeers play an important role in the polar ecosystem, being long-lived sole vegetarians feeding on local vegetation. They can be used as a valuable bioindicator, helping us to understand contaminants’ impact on the polar terrestrial ecosystem. Still, scarce data exist from research in which polar herbivores (especially those from the European parts of the Arctic) were a major study subject for trace elements and persistent organic...
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Phototransformation of three selected pharmaceuticals, naproxen, 17α-Ethinylestradiol and tetracycline in water: Identification of photoproducts and transformation pathways
PublikacjaTransformation products (TPs) may be formed during various processes, however, it was proved that one of the main mechanisms responsible for degradation of pharmaceuticals in natural waters is photolysis. Three compounds were selected, tetracycline (TC), 17-α-ethinylestradiol (EE2) and naproxen (NAP), for degradation experiments which were performed using a xenon lamp emitting light with a spectrum closely approximating that of...
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Otwarte innowacje w inicjatywach klastrowych
PublikacjaSpecyfika funkcjonowania inicjatyw klastrowych czyni z nich idealne podłoże do wcielania w życie idei open innovation – ułatwiają bowiem nawiązywanie kontaktów z innymi podmiotami, stawiają na otwartość swoich członków i budowę relacji opartych na zaufaniu, stanowią platformę wymiany zasobów (w tym przede wszystkim informacji i wiedzy) oraz wspólnego kreowania rozwiązań innowacyjnych. W artykule podjęto rozważania teoretyczne dotyczące...
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A Low-Profile Metal-backed Dipole Loaded with Closely Coupled Arc-shaped Open Stubs for On-metal Tag Design with Wide Frequency Tuning Capability
PublikacjaThis research has presented a single-layer metal-backed dipole antenna, which consists of a feedline loaded with two pairs of closely-coupled arc-shaped open stubs, for designing a metal-mountable tag that features tuning capability over a wide range of frequency. Here, the stubs can generate sufficient inductive reactance for bringing down the tag resonant frequency tunable in both the regulated UHF RFID passbands (North American...
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Quality control of cheese samples for the presence of natamycin preservative – A natural deep eutectic solvent (NADES) based extraction coupled with HPLC
PublikacjaA new protocol for the determination of natamycin – an antifungal agent used as a food preservative - in cheese samples – is described. This new method is based on a natural deep eutectic solvent (NADES) green extraction procedure. High-performance liquid chromatography (HPLC) was used for detection and quantification. NADESs with different molar ratios were evaluated for efficient and selective extraction. NADES made of thymol...
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Comparison of hydrophilic interaction and reversed phase liquid chromatography coupled with tandem mass spectrometry for the determination of eight artificial sweeteners and common steviol glycosides in popular beverages
PublikacjaHydrophilic interaction liquid chromatography (HILIC) coupled with tandem mass spectrometry (MS/MS) was used to separate artificial and natural sweeteners approved for use in European Union (EU). Among three tested HILIC columns (BlueOrchid PAL-HILIC, Ascentis Express Si and Acclaim™ Trinity™ P2) the last one was selected for the development of HILIC method due to the best results obtained with it. Early eluting and coeluting compounds...
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Earthquake-induced pounding between equal height multi-storey buildings considering soil-structure interaction
PublikacjaThe present paper investigates the coupled effect of the supporting soil flexibility and pounding between neighbouring, insufficiently separated equal height buildings under earthquake excitation. Two adjacent three-storey structures, modelled as inelastic lumped mass systems with different structural characteristics, have been considered in the study. The models have been excited using a suit of ground motions with different peak...
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An evaluation of sucrose as a possible contaminant in e-liquids for electronic cigarettes by hydrophilic interaction liquid chromatography–tandem mass spectrometry
PublikacjaThe influence of sucrose combustion products on smoking and nicotine addiction is still controversial because the presence of the sucrose may be treated as a source of aldehydes and organic acids. In e-liquids used as refills for electronic cigarettes, which are made primarily of poly(propylene glycol), glycerine and ethanol, sucrose may be present at trace levels, and its impact on mainstream smoke formation, and hence on human...
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Novel composite of Zn/Ti-layered double hydroxide coupled with MXene for the efficient photocatalytic degradation of pharmaceuticals
PublikacjaIn the present study, a hybrid photocatalyst of Zn/Ti layered double hydroxide (LDH) coupled with MXene – Ti3C2 was synthesized for the first time and applied in photocatalytic degradation of acetaminophen and ibuprofen, two commonly present in the natural environment and prone to accumulate in the aquatic ecosystem pharmaceuticals. The effect of MXene content (0.5 wt%, 2.5 wt%, and 5 wt%) on the photocatalytic activity of LDH/MXene...
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Studies on Silver Ions Releasing Processes and Mechanical Properties of Surface-Modified Titanium Alloy Implants
PublikacjaDispersed silver nanoparticles (AgNPs) on the surface of titanium alloy (Ti6Al4V) and titanium alloy modified by titania nanotube layer (Ti6Al4V/TNT) substrates were produced by the chemical vapor deposition method (CVD) using a novel precursor of the formula [Ag5(O2CC2F5)5(H2O)3]. The structure and volatile properties of this compound were determined using single crystal X-ray diffractometry, variable temperature IR spectrophotometry...
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Application of Electronic Nose Based on Fast GC for Authenticity Assessment of Polish Homemade Liqueurs Called Nalewka
PublikacjaThe possibility of application of electronic nose based on fast GC for differentiation of three types of cherry liqueurs, namely Polish homemade liqueurs called nalewka, commercially available liqueurs labeled as nalewka, and commercial liqueurs, was investigated. This device was equipped with two parallel connected columns with different stationary phases coupled to two ultrasensitive flame ionization detectors (μ-FIDs). Four...
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Application of dynamic headspace and gas chromatography coupled to mass spectrometry (DHS-GC-MS) for the determination of oxygenated volatile organic compounds in refinery effluents
PublikacjaThe paper presents a new procedure for the determination of oxygenated volatile organic compounds (O-VOCs) in postoxidative effluents from the production of petroleum asphalt using dynamic headspace coupled to gas chromatography-mass spectrometry in the selected ion monitoring (SIM) mode (DHSGC-MS). Among the GC capillary columns tested, a polar SLB-IL111 column with the ionic liquid stationary phase was found to be superior due...
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Complementary use of GCxGC–TOF–MS and statistics for differentiation of variety in biosolid samples
PublikacjaFormation of biosolid cakes, which are one of the main wastes generated in wastewater treatment plants, is connected with emission of many hazardous chemical compounds, including odoriferous ones. To optimize particular processes of biosolid cake processing, it is necessary to assess chemical composition of the gas mixtures containing the compounds released from the cakes. The paper proposes application of two-dimensional gas chromatography...
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Photoactivity of decahedral TiO2 loaded with bimetallic nanoparticles: Degradation pathway of phenol-1- 13 C and hydroxyl radical formation
PublikacjaDecahedral TiO2decorated with bimetallic nanoparticles were synthesized via radiolysis and photode-position method. The effect of bimetallic surface composition (Ag Pt, Ag Au, Au Pd, Au Pt) as well asdeposition technique (simultaneous or sequential) on the photocatalytic activity in phenol degradationand efficiency of hydroxyl radicals generation under UV–vis light irradiation were investigated. Modifiedand pristine decahedral...
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Fast, sensitive and reliable multi-residue method for routine determination of 34 pesticides from various chemical groups in water samples by using dispersive liquid – liquid microextraction coupled with gas chromatography – mass spectrometry
PublikacjaA simple and efficient dispersive liquid-liquid microextraction technique (DLLME) was developed by using a mixture of two solvents: 40 μL of tetrachlorethylene (extraction solvent) and 1.0 mL of methanol (disperser solvent), which was rapidly injected with a syringe into 10mL ofwater sample. Some important parameters affecting the extraction efficiency, such as type and volume of solvents, water sample volume, extraction time,...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Modeling and simulation of blood flow under the influence of radioactive materials having slip with MHD and nonlinear mixed convection
PublikacjaRadioactive materials are widely in industry, nuclear plants and medical treatments. Scientists and workers in these fields are mostly exposed to such materials, and adverse effects on blood and temperature profiles are observed. In this regard, objective of the current study is to model and simulate blood based nanofluid with three very important radioactive materials, named as Uranium dioxide (UO2), Thorium dioxide (ThO2) and...
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Electrochemistry/mass spectrometry (EC/MS) for fast generation and identification of novel reactive metabolites of two unsymmetrical bisacridines with anticancer activity.
PublikacjaThe development of a new drug requires knowledge about its metabolic fate in a living organism, regarding the comprehensive assessment of both drug therapeutic activity and toxicity profiles. Electrochemistry (EC) coupled with mass spectrometry (MS) is an efficient tool for predicting the phase I metabolism of redox-sensitive drugs. In particular, EC/MS represents a clear advantage for the generation of reactive drug transformation...
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Modelling and optimisation of MXene-derived TiO2/Ti3C2 synthesis parameters using Response Surface Methodology based on the Box–Behnken factorial design. Enhanced carbamazepine degradation by the Cu-modified TiO2/Ti3C2 photocatalyst
PublikacjaIn the present study, a hydrothermal method in a water/ethanol environment was used for the first time to obtain novel Cu/TiO2/Ti3C2 composites with high photocatalytic activity for the degradation of carbamazepine (CBZ) under simulated solar light. The Box–Behnken factorial design was coupled with Response Surface Methodology (RSM) for synthesis parameter optimisation. The effect of different synthesis parameters, including temperature, time...
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Multi-Analytical Techniques for the Study of Burial Clothes of Polish King Sigismund III Vasa (1566–1633) and His Wife Constance Habsburg (1588–1631)
PublikacjaThe subjects of this research are the burial clothes of Polish King Sigismund III Vasa and his wife Constance, which were woven and embroidered with silk and metal threads. Fragments of the textiles underwent spectroscopic, spectrometric, and thermogravimetric analyses. The hydrofluoric acid extraction method was improved to isolate various classes of dyes from the textile samples that had direct contact with human remains. High-performance...
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Investigation on air quality of specific indoor environments—spa salons located in Gdynia, Poland
PublikacjaDue to excessive application of essential oils and scented products in spa salons during aromatherapy and massage sessions, the elevated concentration of total volatile organic compounds (TVOCs), particularly terpenes, which are known as secondary organic aerosol (SOA) precursors, is expected there. This study was aimed at determination of VOCs with a particular regard to terpenes in air samples collected in selected spa salons...
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The Effect of Laser Re-Solidification on Microstructure and Photo-Electrochemical Properties of Fe-Decorated TiO2 Nanotubes
PublikacjaFossil fuels became increasingly unpleasant energy source due to their negative impact on the environment; thus, attractiveness of renewable, and especially solar energy, is growing worldwide. Among others, the research is focused on smart combination of simple compounds towards formation of the photoactive materials. Following that, our work concerns the optimized manipulation of laser light coupled with the iron sputtering to...
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Combination of hydrodynamic cavitation and SR-AOPs for simultaneous degradation of BTEX in water
PublikacjaHydrodynamic cavitation (HC) is an emerging technology gaining interest in water treatment for use in elimination of a wide range of organic pollutants. The energy released during cavitation phenomenon has number of applications and, particularly, it can be utilized for activation of persulfate (PS) and peroxymonosulfate (PMS). In the present study, hybrid techniques: HC combined with persulfates – HC-PS and HC-PMS were tested...
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Improved degradation of etodolac in the presence of core-shell ZnFe2O4/SiO2/TiO2 magnetic photocatalyst
PublikacjaIn the present study, susceptibility to photocatalytic degradation of etodolac, 1,8-diethyl-1,3,4,9 – tetrahydro pyran - [3,4-b] indole-1-acetic acid, which is a non-steroidal anti-inflammatory drug frequently detected in an aqueous environment, was for the first time investigated. The obtained p-type TiO2-based photocatalyst coupled with zinc ferrite nanoparticles in a core-shell structure improves the separation and recovery...
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Yade-open DEM: an open-source software using a discrete element methodto simulate granular material
PublikacjaPurpose - YADE-OPEN DEM is an open source software based on the Discrete Element Method which uses object oriented programming techniques. The paper describes the softwarearchitecture.Design/methodology/approach - The DEM chosen uses position, orientation, velocity and angular velocity as independent variables of simulated particles which are subject to explicit leapfrog time-integration scheme (Lagrangian method). The three-dimensional...