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Search results for: TECHNIKA IMPLICIT SOLVENT
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TOiS-w (TOiS: Metody Numeryczne i Narzędzia OiS - wykład ) 2023 (96)
e-Learning Courses1. "Technika obliczeniowa i symulacyjna" - wykład (Metody Numeryczne) dla EiT, sem. 2, na studiach I stopnia Wykładowca: dr inż. B. Stawarz-Graczyk 2. "Technika obliczeniowa i symulacyjna" - wykład (z zagadnień dotyczących PSpice'a i Matlaba) dla EiT, sem. 2, na studiach I stopnia Wykładowcy: dr inż. M. S. Makowski (PSpice) i dr inż. Jan Schmidt (Matlab) Osoba odpowiedzialna za przedmiot: dr inż. Jan Schmidt ...
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TOiS-w (TOiS: Metody Numeryczne i Narzędzia OiS - wykład ) 2022
e-Learning Courses1. "Technika obliczeniowa i symulacyjna" - wykład (Metody Numeryczne) dla EiT, sem. 2, na studiach I stopnia Wykładowca: dr inż. B. Stawarz-Graczyk 2. "Technika obliczeniowa i symulacyjna" - wykład (z zagadnień dotyczących PSpice'a i Matlaba) dla EiT, sem. 2, na studiach I stopnia Wykładowcy: dr inż. M. S. Makowski (PSpice) i dr inż. Jan Schmidt (Matlab) Osoba odpowiedzialna za przedmiot: dr inż. Jan Schmidt ...
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A novel hybrid adaptive framework for support vector machine-based reliability analysis: A comparative study
PublicationThis study presents an innovative hybrid Adaptive Support Vector Machine - Monte Carlo Simulation (ASVM-MCS) framework for reliability analysis in complex engineering structures. These structures often involve highly nonlinear implicit functions, making traditional gradient-based first or second order reliability algorithms and Monte Carlo Simulation (MCS) time-consuming. The application of surrogate models has proven effective...
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Fast Machine-Learning-Enabled Size Reduction of Microwave Components Using Response Features
PublicationAchieving compact size has emerged as a key consideration in modern microwave design. While structural miniaturization can be accomplished through judicious circuit architecture selection, precise parameter tuning is equally vital to minimize physical dimensions while meeting stringent performance requirements for electrical characteristics. Due to the intricate nature of compact structures, global optimization is recommended,...
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A pore-scale thermo–hydro-mechanical model for particulate systems
PublicationA 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 Influence of PEG on Morphology of Polyurethane Tissue Scaffold
PublicationIn this study, polyurethanes (PU) were synthesized from oligomeric dihydroxy(etylene-butylene adipate), poly(ethylene glycol) (PEG), hexamethylene diisocyanate (HDI), 1,4-butanediol (BDO) as chain extender and stannous octoate as catalyst. PEG due to its hydrophilic character influences physical and chemical properties of PU. For testing were used PU having the following weigh contents of PEG: 0%, 7%, and 14%. Porous scaffolds...
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Tailoring the Size and Shape—New Path for Ammonium Metavanadate Synthesis
PublicationAmmonium metavanadate, NH4VO3, plays an important role in the preparation of vanadium oxides and other ammonium compounds, such as NH4V3O8, (NH4)2V3O8, and NH4V4O10, which were found to possess interesting electrochemical properties. In this work, a new route for the synthesis of NH4VO3 is proposed by mixing an organic ammonium salt and V2O5 in a suitable solvent. The one-step procedure is carried out at room temperature. Additionally,...
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Thermal and Mechanical Properties of Microporous Polyurethanes Modified with Reduced Graphene Oxide
PublicationMicroporous polyurethanes (MPU) were modified by adding 0.25%–1.25 wt% of reduced graphene oxide (RGO). The materials were prepared without solvent via in situ polymerization. From a technological point of view, it is very important to obtain functional materials by using reacting compounds only. The thermal characteristics of obtained MPU were investigated using TGA, DSC, and DMA techniques. In comparison to nonmodified microporous...
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Determination of pharmaceuticals in fish: method optimization and occurrence in different species from Mediterranean rivers
PublicationThe multi-residue analytical method developed, based on accelerated solvent extraction, gel permeation chromatography purification and UPLC-MS/MS analysis allowed the simultaneous determination of 21 pharmaceuticals. Recoveries obtained for most of the target compounds were higher than 50%. The application of UPLC-MS/MS operating in the MRM mode, with two transitions monitored for each compound, provided good sensitivity and selectivity....
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Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublicationThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
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Green aspects of techniques for the determination of pesticides in fruits and vegetables
PublicationApplied all over the world, pesticides are some of the most dangerous pollutants of the environment because of their stability, mobility, their ability to accumulate in the environment and their consequent long-term adverse effects on living organisms in general and human health in particular. Their presence in the environment is a particular danger. It is therefore crucial to monitor pesticide residues using all available analytical...
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Effect of temperature and ionic strength on volumetric and acoustic properties of solutions of urea alkil derivatives in aqueous NaCl
PublicationThe present work was undertaken to study volumetric and acoustic properties for diluted solutions of tetramethylurea in pure water and for urea, n-propylurea, n-butylurea and tetramethylurea in 0.5 or 1 moldm3 aqueous solutions of sodium chloride. This paper presents measured values of densities and sound velocities at T = (288.15, 298.15 and 308.15) K. From these data the apparent molar volumes, , adiabatic compressibilities,...
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Aggregation of nonionic surfactants in imidazolium ionic liquids
PublicationMicellar aggregation of surfactants in aqueous solutions has been described in terms of the balance between dispersive interactions of the hydrocarbon part of the amphiphilic molecule, and the hydration and electrostatic repulsive effects of hydrophilic head group. Changing the interactions by replacing water with another polar solvent, such as amides or glycols, has been studied to a smaller extent (Singh, Saleem et al. 1980;...
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Latest Insights on Novel Deep Eutectic Solvents (DES) for Sustainable Extraction of Phenolic Compounds from Natural Sources
PublicationPhenolic compounds have long been of great importance in the pharmaceutical, food, and cosmetic industries. Unfortunately, conventional extraction procedures have a high cost and are time consuming, and the solvents used can represent a safety risk for operators, consumers, and the environment. Deep eutectic solvents (DESs) are green alternatives for extraction processes, given their low or non-toxicity, biodegradability, and reusability....
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Trends in the new generation of green solvents in extraction processes
PublicationAnalytical chemistry, like other scientific fields, has undergone a number of changes to make it more consistent with the concept of sustainable development. Among the various steps of chemical analysis, without a doubt, sample preparation is the bottleneck in regard to following a green protocol, especially in terms of solvent consumption. Therefore, many attempts have been made to improve the environmental friendliness of this...
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The interaction parameters for solutions of n-butylurea in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 K and 308.15 K
PublicationDensities and speed of sound were measured for solutions of n-butylurea in aqueous solution of Nmethylacetamide 2, 4, 6 and 8 (mol/kg) at T = (288.15, 298.15 and 308.15) K. From these data the apparent molar volumes, Vf, the apparent molar isentropic compressions, KSf, of the solute were determined. The concentration dependencies of the calculated quantities have been used to obtain the standard partial molar parameters. The latter...
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Use of Ginger Nanofibers for the Preparation of Cellulose Nanocomposites and Their Antimicrobial Activities
PublicationHere, we report, for the first time, the isolation of ginger nanofibers (GNF) from ginger rhizomes spent by acid hydrolysis and followed by high-pressure homogenization. Scanning electron microscopy was utilized to identify the surface morphology of the GNF and the widths ranged between 130 to 200 nm. Structural analysis of GNF was identified by Fourier transform infrared spectroscopy, Differential scanning calorimetry, and X-ray...
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Deep eutectic solvents based assay for extraction and determination of zinc in fish and eel samples using FAAS
PublicationA new assay based on effective (high recovery) extraction by means of deep eutectic solvents (DESs) was developed for ppb level determination of zinc in fishes and eel samples. Choline chloride and Phenol in a 1:2 M ratio was selected as optimal DES-based extraction solvent. 8-Hydroxy quinoline was used as a chelating agent for zinc ions. The optimized conditions were found at pH value of 8, ligand concentration of 10 mg/L, THF...
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Determination of phenylbutazone, sulfamethazine, carbendazim and linuron using a novel pine bark biosorbent for solid-phase extraction (SPE) with high-performance liquid chromatography (HPLC)
PublicationThe paper presents a novel pine bark based biosorbent for solid-phase extraction (SPE). The morphology and composition of the pine bark were characterized using Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The biosorbent was used for the preparation of wastewater for the determination of phenylbutazone, sulfamethazine, carbendazim, and linuron by high performance liquid chromatography with...
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Cel i główne zadania badawcze projektu netBaltic
PublicationCelem projektu NetBaltic jest realizacja szerokopasmowej sieci teleinformatycznej na morzu, która umożliwi wdrożenie nowych usług i aplikacji zapewniających w szczególności poprawę bezpieczeństwa nawigacji. Prace w ramach projektu realizują zespoły badawcze z Wydziału ETI Politechniki Gdańskiej, Instytutu Łączności PIB, Instytutu Oceanologii PAN oraz firm DGT LAB S.A. i NavSim Polska sp. z o.o. Wiele propozycji projektu ma charakter...
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'22/'23 Badanie żywności techniką PCR - KID
e-Learning CoursesCEL: Student identyfikuje i klasyfikuje patogeny oraz grzyby toksynotwórcze w żywności i ocenia ich szkodliwość. Przedstawia podstawowe systemy diagnostyczne, stosowane do wykrywania zafałszowań w żywności. Wyjaśnia zasady działania techniki PCR.
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Efficient Extraction of Fermentation Inhibitors by Means of Green Hydrophobic Deep Eutectic Solvents
PublicationThe methods for hydrogen yield efficiency improvements, the gaseous stream purification in gaseous biofuels generation, and the biomass pretreatment are considered as the main trends in research devoted to gaseous biofuel production. The environmental aspect related to the liquid stream purification arises. Moreover, the management of post-fermentation broth with the application of various biorefining techniques gains importance....
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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The hydration properties of protein stabilizer, trimethylamine-N-oxide in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 and 308.15 K
PublicationApparent molar volumes and apparent molar isentropic compressions of the protein stabilizer, trimethylamine-N-oxide (TMAO) were determined from the densities and speed of sound measured at T = (288.15, 298.15 and 308.15) K in aqueous solutions of N-methylacetamide (NMA) at four different concentrations (2, 4, 6 and 8 mol/kg). The concentration dependencies of the calculated quantities extrapolated to the infinite dilution lead...
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Application of additional factors supporting the microextraction process
PublicationDue to the fact that green analytical chemistry is of high importance, the past two decades have witnessed a rapid growth in the sample preparation area with special emphasis on simplification, miniaturization and automation of extraction procedures. In addition, to accelerate the extraction processes and to improve the separation of analytes, several enhanced parameters are applied. These factors include, ultrasounds, microwaves,...
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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TMSCL as a rate accelerating additive in acylations of amines with 5-(α- amino-α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
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Determination of volatile organic compounds using solventless sample preparation techniques and gas chromatography
PublicationIn this paper the latest advances in the determination of volatile organic compounds using solvent-free extraction techniques in the sample preparation step are presented. A paper is focus mainly on one of the most popular sample preparation technique: solid-phase microextraction technique (SPME) combined with different detection systems and its applications to sampling of VOCs from the samples with different matrices. This paper...
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Metrics for green analytical chemistry
PublicationGreen analytical chemistry, although not being a new concept, does not have a greenness metrics system. Green chemistry metrics are not suitable for analytical procedure assessment because they often refer to the mass of the product. Some efforts have been made to develop suitable metrics for analytical chemistry. Some are simple to use but do not cover all aspects of analytical methods’ environmental impact. Others are more comprehensive...
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Microextraction by packed sorbent: Uncommon detection techniques, sorbents, samples and analytes
PublicationAmong sample preparation approaches, the most desirable are procedures that ensure high efficiency and reproducibility, that are cheap, fast and simple, that minimize the number of operational steps and that require a small amount of sample and solvent and are thus environmentally friendly. Microextraction by packed sorbent (MEPS) is a miniaturized form of solid-phase extraction, the use of which has been continuously expanding...
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Few-Layer Black Phosphorus/Chitosan Nanocomposite Electrodes via Controlled Electrodeposition for Enhanced Electrochemical Kinetic Performance
PublicationThis study presents the preparation and characterization of few-layer black phosphorus (FLBP) chitosan electrodes by controlled electrochemical deposition of chitosan nanoparticles on FLBP-modified glassy carbon electrodes. FLBP was prepared by solvent-assisted exfoliation of bulk BP and was further modified with chitosan forming together a nanocomposite, including easy cross-linking with nanomaterials and film-forming properties....
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Corrosion of AISI1018 and AISI304 steel exposed to sulfates
PublicationThis research analyses the behavior of corrosion, durability, and quality of reinforced concrete samples coated with two different materials when exposed to contaminated soil with sulfates. The initial assessment involved evaluating the water absorption rate of the coating materials before and after exposure to a solution containing 3%푁푎2푆푂4+3%푀푔푆푂4+3%퐾2푆푂4+3%퐶푎푆푂4to determine their durability. the corrosion...
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Monitoring of absorptive model biogas purification process using sensor matrices and gas chromatography
PublicationThis study examined the process of purifying model biogas using a new type of absorbent based on a Deep Eutectic Solvent (DES) and a commercially available absorbent (Genosorb) to remove acetone, toluene, and cyclohexane. The main aim of the research was to control the purification efficiency using gas chromatography (GC) and an alternative method based on sensor matrices (SM). As a result of comparing the multidimensional SM signals...
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Surfactants application in sample preparation techniques: Insights, trends, and perspectives
PublicationSince the implementation of Green Chemistry into analytical practice, significant efforts have been made to improve the sustainability of chemical analysis. These include reducing the use of hazardous chemicals and solvents, minimizing waste, and improving energy efficiency. Surfactants can be applied in chemical analysis as an environmentally friendly alternative to conventional solvents and chemicals. The use of surfactants can...
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Synthesis of Phosphonated Carbon Nanotubes: New Insight into Carbon Nanotubes Functionalization
PublicationCarbon nanotubes were successfully functionalized for the first time in a free radical phosphonylation reaction. Three synthetic protocols were proposed. Carbon nanotubes and diethylphosphite reacted in the presence of known radical initiator, such as azobisisobutyronitrile, single electron oxidant—Mn(OAc)3, or under UV radiation. The functionalized material was fully characterized by means of spectroscopic methods, together with...
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Grafting and reactive extrusion technologies for compatibilization of ground tyre rubber composites: Compounding, properties, and applications
PublicationChemical modification of ground tyre rubber (GTR) to compatibilize it with the matrix is a well-known approach. Based on our recent review of the surface etching methods used in GTR modification, the purpose of the current work is to take a deeper look into more advanced methods such as grafting and reactive extrusion. While grafting is more efficient in achieving compatibility, however, it usually involves multi-step synthesis...
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Tmscl as a rate accelerating additive in acylations of amines with 5-(α-amino- α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
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Redox property switching in MOFs with open metal sites for improved catalytic hydrogenation performance
PublicationIn this study, a decompression-thermalization strategy was utilized for a Cu-containing metal-organic framework (MOF) to tune its redox and catalytic hydrogenation properties. Remarkably, at just 120 °C, open metal sites (OMSs) were successfully constructed by removing coordinated solvent molecules to generate the daughter MOF-120. The tailored redox property of MOF-120 is correlated with the presence of OMSs. Compared with the...
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Novel amides of mycophenolic acid and some heterocyclic derivatives as immunosuppressive agents
PublicationThe group of new amide derivatives of mycophenolic acid (MPA) and selected heterocyclic amines was synthesised as potential immunosuppressive agents functioning as inosine-5'-monophosphate dehydrogenase (IMPDH) uncompetitive inhibitors. The synthesis employed uronium-type activating system (TBTU/HOBt/DIPEA) while or phosphonic acid anhydride method (T3P/Py) facilitating amides to be obtained in moderate to excellent yields without...
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Monetary values estimates of solvents emissions
PublicationThe impact values for environmental emissions of 52 solvents are estimated and expressed in monetary units. The impact values of solvents present in the air are calculated on the basis of 13 impact indicators and for solvents present in water on additional 2 impact indicators. These impact values are weighted with the results obtained with multi-compartment distribution model, allowing to calculate the fraction of solvent emitted...
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Determination of thiocyanate as a biomarker of tobacco smoke constituents in selected biological materials of human origin
Publicationn order to protect human health, it is necessary to biomonitor toxic substances originating from tobacco smoke in biological materials sampled from persons with different exposures to tobacco smoke constituents. Thiocyanate anion is a biomarker of exposure to tobacco smoke components which is characterized by a relatively long half‐life in the human body, i.e. 6 days. In this work, we present the results of thiocyanate determinations...
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New procedure for the examination of the degradation of volatile organonitrogen compounds during the treatment of industrial effluents
PublicationWe present a new procedure for the determination of 32 volatile organonitrogen compounds in samples of industrial effluents with a complex matrix. The procedure, based on dispersive liquid–liquid microex-traction followed by gas chromatography with nitrogen-phosphorus and mass spectrometric detection, wasoptimized and validated. Optimization of the extraction included the type of extraction and disperser sol-vent, disperser solvent...
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POTENTIAL APPLICATIONS OF ELECTRONIC NOSE BASED ON ULTRA FAST GAS CHROMATOGRAPHY TO DISTINGUISH ALCOHOLIC BEVERAGES MADE OF GRAIN = POTENCJALNE MOŻLIWOŚCI ZASTOSOWANIA ELEKTRONICZNEGO NOSA OPARTEGO NA ULTRA SZYBKIEJ CHROMATOGRAFII GAZOWEJ DO ODRÓŻNIANIA NAPOJÓW SPIRYTUSOWYCH POCHODZENIA ZBOŻOWEGO
PublicationStan środowiska a zwłaszcza powietrza ma wpływ na wiele aspektów życia, m in. na jakość produktów spożywczych. Z tego względu niezwykle ważne jest monitorowanie stanu środowiska, które odbywa się za pomocą wielu technik analitycznych. Jedną z nich jest elektroniczny nos. Pierwotnie elektroniczny nos był wykorzystywany tylko do badania uciążliwości zapachowej powietrza. Obecnie technika ta wykorzystywana jest również do monitorowania...
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Zastosowanie olfaktometrii w badaniach środowiskowych
PublicationNieprzyjemne zapachy związane z obecnością w środowisku substancji odorowych (złowonnych) są przyczyną licznych skarg ludności zamieszkującej dany teren. Badania poświęcone odorom występującym w środowisku można przeprowadzić z wykorzystaniem technik olfaktometrycznych. Omówiona w tej pracy technika olfaktometryczna jest jednym z narzędzi wykorzystywanych w ochronie środowiska. Jej zastosowanie umożliwia przeprowadzenie badań...
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Jakub Jabłoński inż.
PeopleEducation In 2016 Jakub Jabłoński finished Zbigniew Herbert XX High School in Gdańsk (math-physics-IT profile). In 2017 he started an undergraduate course in Civil Engineering at the Faculty of Civil and Environmental Engineering of the Gdańsk University of Technology, which he graduated in 2021 with the title of Bachelor of Science in Engineering. During his studies he took active part in the scientific association "Hevelius". Employment About...
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Analityka surfaktantów w próbkach środowiskowych
PublicationSurfaktanty stanowią grupę związków charakteryzujących się specyficznymi właściwościami fizykochemicznymi (m.in. amfifilowa budowa, zdolność rozpuszczania się w cieczach o różnej polarności, zdolność do tworzenia micelli) i z tego względu są one wykorzystywane w wielu sferach działalności człowieka. Związki powierzchniowo-czynne ulegają różnorodnym przemianom fizykochemicznym, co umożliwia ich migrację między różnymi elementami...
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Soft skills among academics: Five theoretically informed lessons for current times
PublicationRESEARCH OBJECTIVE: The aim of this article is to provide a comprehensive examination of the role of soft skills among academics in the context of the evolving higher-education landscape. THE RESEARCH PROBLEM AND METHODS: We use a scoping review of existing literature to discuss the importance of soft skills in academia. Through critical analysis and synthesis, we identify patterns and gaps in current knowledge and develop five...
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Analiza cyklu życia modułu słonecznego i jego wpływ na środowisko = Life cycle analysis of a solar module and its ecological impact
PublicationSystemy fotowoltaiczne są odnawialnym źródłem energii elektrycznej, które w czasie eksploatacji nie emitują żadnych szkodliwych substancji, hałasu, nie zwiększają również efektu cieplarnianego. Wpływ każdego produktu na środowisko naturalne, w tym także systemów fotowoltaicznych, musi uwzględniać końcową fazę istnienia - okres po zakończeniu eksploatacji. Obecnie produkowane moduły ogniw fotowoltaicznych mają 25÷30-letnią gwarancję...