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Search results for: CHEMICAL REACTIONS
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Control of mass concentration of reagents by sound in a gas with nonequilibrium chemical reactions
PublicationThe weakly nonlinear dynamics of a chemically reacting gas is studied. Nonlinear interaction of acoustic and nonacoustic types of motion are considered. We decompose the base equations using the relationships of the gas-dynamic perturbations specific for every type of motion. The governing equation for the mass fraction of a reagent influenced by dominating sound is derived and discussed. The conclusions concern the equilibrium...
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Interaction of Acoustic and Thermal Modes in the Gas with Nonequilibrium Chemical Reactions: Possibilities of Acoustic Cooling
PublicationNonlinear generation of thermal mode during propagation of dominative sound in a chemically reacting gas is considered. The dynamic equation of excess temperature associated with the thermal mode is derived. It is instantaneous and includes quadratic nonlinear acoustic source reflecting the nonlinear character of interaction between acoustic and non-acoustic types of gas motion. Both periodic and aperiodic sound may be considered...
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Modelling of First- and Second-order Chemical Reactions on ARUZ – Massively-parallel FPGA-based Machine
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In silico study on the effects of carbonyl groups on chemical equilibrium of reactions with a polar product occurring under confinement in pores of activated carbons
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Investigation of the Efficiency of a Dual-Fuel Gas Turbine Combustion Chamber with a Plasma‒Chemical Element
PublicationThe study is devoted to the possibility of increasing the efficiency of the working process in dual-fuel combustion chambers of gas turbine engines for FPSO vessels. For the first time, it is proposed to use the advantages of plasma‒chemical intensification of the combustion of hydrocarbon fuels in the dual-fuel combustion chambers, which can simultaneously operate on gaseous and liquid fuels. A design scheme of a combustion chamber...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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Materials science. Quantum particle approach. 2023.
e-Learning CoursesQuantum ideas applied for particle systems and for chemical reactions.
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Materials science. Quantum particle approach. 2024
e-Learning CoursesQuantum ideas applied for particle systems and for chemical reactions.
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Chemical denudation and the role of sulfide oxidation at Werenskioldbreen, Svalbard
PublicationThis study aims to determine the rate of chemical denudation and the relationships between dominant geochemical reactions operating in the proglacial and subglacial environments of the polythermal glacier Werenskioldbreen (SW Svalbard) during an entire ablation season. Water sampling for major ion chemistry was performed at a proglacial hydrometric station and from subglacial outflows from May to September 2011. These data were...
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Chemistry and Nanochemistry 2022.
e-Learning CoursesThe course consists of lectures (15 x 2 hours) and laboratories (5 x 3 hours).The goal of this course is to teach general chemistry and adequately apply it to nano-size systems, their synthesis and analysis. An emphasis is laid on an analysis of electronic structure of molecules and prediction of resulting properties and reasons of consequent behaviour in chemical reactions. The course also encloses laboratory classes, where the...
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Mathematical modeling of hydrogen production performance in thermocatalytic reactor based on the intermetallic phase of Ni3Al
PublicationThe main goal of the following work is to adjust mathematical modelling for mass transfer, to specific conditions resulting from presence of chemical surface reactions in the flow of the mixture consisting of helium and methanol. The thermocatalytic devices used for decomposition of organic compounds incorporate microchannels coupled at the ends and heated to 500 oC at the walls regions. The results of the experiment were compared...
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Non-Coaxially Rotating Motion in Casson Martial along with Temperature and Concentration Gradients via First-Order Chemical Reaction
PublicationThe effect of non-coaxial rotation on the transport of mass subjected to first-order chemical reaction is studied analytically. The effects of thermal radiation, buoyancy, constructive and destructive chemical reactions along with Casson fluid in rotating frame are discussed. Time evolution of primary and secondary velocities, energy and solute particles are analyzed. The behavior of flow under the variation of intensity of magnetic...
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Chemistry and Nanochemistry 2024
e-Learning CoursesWe start from General Chemistry, including: calculus in chemistry, bonds, balancing the chemical reactions, redox reactions, electrochemistry, pH, acids, bases, salts, oxides, organic molecules, and many informations about synthesis, analysis and applications in nanochemistry.
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Chemistry and Nanochemistry 2023
e-Learning CoursesWe start from General Chemistry, including: calculus in chemistry, bonds, balancing the chemical reactions, redox reactions, electrochemistry, pH, acids, bases, salts, oxides, organic molecules, and many informations about synthesis, analysis and applications in nanochemistry.
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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublicationThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Polymerization of chloro-p-xylylenes, quantum-chemical study
PublicationThe p-xylylene monomers of parylene N, C and D have similar high polymerization reactivity. For effective copolymerization processes this fact is basically a draw- back and for instance the copolymerization with styrene doesn't go at all (Corley et al. J Pol Sc 13(68):137156, 1954). Substitution of terminal hydrogen atoms by chlorine atoms reduces reactivity dramatically. 7,7,8,8-tetrachloro-p- xylylene and 2,5,7,7,8,8-hexachloro-p-xylylene...
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Clickable polysaccharides for biomedical applications: A comprehensive review
PublicationRecent advances in materials science and engineering highlight the importance of designing sophisticated biomaterials with well-defined architectures and tunable properties for emerging biomedical applications. Click chemistry, a powerful method allowing specific and controllable bioorthogonal reactions, has revolutionized our ability to make complex molecular structures with a high level of specificity, selectivity, and yield...
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Borophene Chemical Vapar Depostion
Open Research DataThe presented dataset corresponds to a nickel boride-based bifunctional electrocatalyst for overall water splitting. Developing highly efficient and durable electrocatalysts is essential for advancing renewable energy solutions. In this study, a simple one-step chemical vapor deposition (CVD) method was employed to synthesize boron-containing derivatives...
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Acyl Meldrum's acid derivatives: application in organic synthesis
PublicationThis review is focused on one of the most important classes of Meldrum's acid derivatives commonly known as acyl Meldrum's acids. The preparation methods of these compounds are considered including the recently proposed and rather rarely used ones. The chemical properties of acyl Meldrum's acids are described in detail, including thermal stability and reactions with various nucleiophiles. The possible mechanisms of these transformations...
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Chemical Derivatization Processes Applied to Amine Determination in Samples of Different Matrix Composition
PublicationAmines are important biological compounds, and so their analysis and monitoring in various matrices is worthy of investigation and development.Due to the polar nature of amines, chromatographic analysis of free amines is generally unsatisfactory owing to adsorption and decomposition of the solute on the column, resulting in peak tailing and losses. Therefore, many derivatization reactions are employed to reduce the polarity, improve...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Acoustic field and the entropy mode induced by it in a waveguide filled with some non-equilibrium gases
PublicationThe non-linear propagation of an acoustic beam in a rectangular waveguide is considered. The medium of sound propagation, is a gas where thermodynamically non-equilibrium processes take place: such as exothermic chemical reactions or excitation of vibrational degrees of a molecule’s freedom. The incident and reflected compounds of the acoustic field do not interact in the leading order in the case of periodic weakly nonlinear sound...
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Aryl and N-arylamide carbon nanotubes for electrical coupling of laccase to electrodes in biofuel cells and biobatteries
PublicationSingle walled carbon nanotubes (SWCNTs) were equipped with aryl residues by chemical reactions. These insoluble materials were used to substitute classical soluble mediators, which help to transfer electrical charge between the conducting electrode and the redox active center of enzyme molecules. The effect of different aryl residues on the efficiency of the catalytic reduction of dioxygen in the presence of laccase was systematically...
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Cavitation-Based Processes for Water and Wastewater Treatment
PublicationCavitation based on advanced oxidation processes (Cav-AOPs) is interesting alternatives for already implemented wastewater treatment technologies. Destructive and strongly undesirable phenomena in the industry, i.e., cavitation, revealed to be useful in a positive manner as a source of energy for chemical reactions. During the implosion of cavitation bubbles, focused energy and resulting high temperature and pressure allows to...
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In-situ odd random phase electrochemical impedance spectroscopy study on the electropolymerization of pyrrole on iron in the presence of sodium salicylate – The influence of the monomer concentration
PublicationIn this work, the potentiostatic electropolymerization of polypyrrole (PPy) on iron in aqueous solution of sodium salicylate and pyrrole is studied in situ by odd random phase electrochemical impedance spectroscopy (ORP-EIS). The influence of the pyrrole concentration on the electrosynthesis process is investigated. The ORP-EIS technique ensures a reliable analysis of the PPy electrosynthesis on iron by means of an advanced data...
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Microscale diamond protection for a ZnO coated fiber optic sensor
PublicationFiber optic sensors are widely used in environmental, biological and chemical sensing. Due to the demanding environmental conditions in which they can be used, there is a risk of damaging the sensor measurement head placed in the measuring field. Sensors using nanolayers deposited upon the fiber structure are particularly vulnerable to damage. A thin film placed on the surface of the fiber end-face can be prone to mechanical damage...
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Lipids and Food Quality
PublicationThis 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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Advanced oxidation processes (AOPs) based wastewater treatment - unexpected nitration side reactions - a serious environmental issue: A review
PublicationChemical compounds containing nitro group (nitro-products) are a one of toxic by-products, that can be formed during wastewater treatment processes. In case of presence of nitrite or nitrate ions, the formation of nitro-products during advanced oxidation processes (AOPs) is very common. It is caused by the reactive nitrogen species (RNs) such as nitrate radical (NO3•), nitrite radical (NO2•), nitrogen oxide radical (NO•) and peroxynirite...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublicationA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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Hydrophobic and hydrophilic properties of pollutants as a factor influencing their redistribution during snowpack melt
PublicationGlaciers accumulate organic pollutants delivered by snow. However, our understanding of the exact dynamics of organic pollutants in the snowpack relies primarily on laboratory experiments and mathematical models. To fill the gap related to the detailed field data, we have conducted observations of melting snow profiles in two locations and three different stages of melting on one High Arctic glacier, as well as in superimposed...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Insights into the Thermo-Mechanical Treatment of Brewers’ Spent Grain as a Potential Filler for Polymer Composites
PublicationThis paper investigated the impact of twin-screw extrusion parameters on the properties of brewers’ spent grain. The chemical structure, antioxidant activity, particle size, and color properties, as well as the emission of volatile organic compounds during extrusion, were investigated. The main compounds detected in the air during modifications were terpenes and terpenoids, such as α-pinene, camphene, 3-carene, limonene, or terpinene....
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Kinetics and mechanism of the chemically modified starches during gelatinization.
PublicationNative starch was silicated by means of microwave-assisted reactions with varying doses of reagents. Resulting products were characterized by DSC and HMR-relaxation methods. It was observed that the hydratation of the silicated starches during gelatinization decreases when compared to that of the native potato starch. The amount of unfrozen water for ungelitinizated silicated starches are less than in control samples. At the same...
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Preparation and Characterization of Diamond-like Carbon Coatings for Biomedical Applications—A Review
PublicationDiamond-like carbon (DLC) films are generally used in biomedical applications, mainly because of their tribological and chemical properties that prevent the release of substrate ions, extend the life cycle of the material, and promote cell growth. The unique properties of the coating depend on the ratio of the sp3/sp2 phases, where the sp2 phase provides coatings with a low coefficient of friction and good electrical conductivity,...
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Possibility of Using Alkali-Activated Phosphogypsum from the Production of Orthophosphoric Acid for the Building Materials—A Review
PublicationThis paper focuses on the possibility of using phosphogypsum, which is a residue from the production of orthophosphoric acid as an additional source of calcium and the use of spent caustic as an alkaline activator for production of ceramic materials in construction industry. The use of the above-mentioned waste will allow to increase fraction of calcium, sodium and silicate needed for the geopolymerization process and improve...
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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Modifications at the C(5) position of pyrimidine nucleosides
PublicationThis review summarizes the state of knowledge on the chemical methods of C(5)-modifications of uridine and cytidine derivatives and may serve as a useful tool for synthetic chemists to choose an appropriate reaction protocol. The synthesis of 5-substituted uracil derivatives is gaining an increasing interest because of their possible applications in medicine and pharmacy. Modifications at the C(5) position of pyrimidine nucleosides...
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Recovery of Valuable Materials and Methods for Their Management When Recycling Thin-Film CdTe Photovoltaic Modules
PublicationDue to the development of new photovoltaic technologies, there is a need to research new recycling methods for these new materials. The recovery of metals from photovoltaic (PV) modules would reduce the consumption of raw materials. Therefore, the development of recycling technologies for used and damaged modules of newer generations is important for environmental reasons. The aim of the research is to shed light on the nature...
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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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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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MHD Casson flow across a stretched surface in a porous material: a numerical study
PublicationIn this study, we examine the nature of magnetohydrodynamic (MHD) Casson flow of fluid across a stretched surface in a porous material. It studies how the behaviour of Casson fluids is affected by a number of variables, including thermal radiation, chemical processes, Joule heating, and viscosity dissipation. The Keller box strategy, based on the finite difference method (FDM), is used to tackle the complex numerical problem. Graphical...
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Kinetics of cross-linking processes of fast-curing polyurethane system
PublicationThis work focuses on the application of thermal analysis and kinetics investigations to analyze chemical processes during cross-linking of the complex fast-curing polyurethane system. Non-isothermal Differential Scanning Calorimetry (DSC) measurements were performed for both stoichiometric mixtures of polyol and isocyanate component and for mixture with large isocyanate excess. Isoconversional methods were used to calculate initial...
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IZOLACJA I IDENTYFIKACJA NATURALNYCH SUBSTANCJI BARWIĄCYCH OBECNYCH W PRÓBKACH FARB ARTYSTYCZNYCH I TKANINACH POCHODZENIA HISTORYCZNEGO
PublicationNatural organic dyes are group of substances that belong to various types of chemical compounds. The most commonly used in paintings and dyeing textiles were naturally occurring dyestuffs from group of anthraquinones, flavones and indigoid dyes. Identification of coloring substances present in historical artistic paints provides relevant information for a wide range of specialists dealing with works of art and in the field of conservation science....
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Spinning Fluids Reactor: A new design of a gas – liquid contactor
PublicationCurrent trends in chemical reactor design are based on adapting these to the requirements of a particular chemical process. Processes involving reactions between the gas and liquid phase in particular require precise adjustment of all parameters. The common denominator for most modern design solutions is enhancement of the mass transfer area and the overall volumetric mass transfer coefficient. Gas – liquid contactors evolved from...
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Ceria Based Protective Coatings for Steel Interconnects Prepared by Spray Pyrolysis
PublicationStainless steels can be used in solid oxide fuel/electrolysis stacks as interconnects. For successful long term operation they require protective coatings, that lower the corrosion rate and block chemical reactions between the interconnect and adjacent layers of the oxygen or the hydrogen electrode. One of the promising coating materials for the hydrogen side is ceria. Using standard sintering techniques, ceria sinters at around...
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Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C
Open Research DataThe dataset contains the Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit. The parameters are conversion rates, selectivities and yields of products
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Process Control and Investigation of Oxidation Kinetics of Postoxidative Effluents Using Gas Chromatography with Pulsed Flame Photometric Detection (GC-PFPD)
PublicationThis article presents the results of investigations on the use of headspace analysis and gas chromatography with pulsed flame photometric detection (HSA-GC-PFPD) to evaluate the effectiveness of oxidation of postoxidative effluents from the production of bitumens. Samples of effluents from the bitumen oxidation unit were used in the experiments. In addition, the kinetics of effluent oxidation was also investigated. The content...
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Challenges and future prospectives of MXenes
PublicationIn the context of nanotechnology, MXenes gained considerable attention as two-dimensional (2D) materials derived from layered transition metal carbides, nitrides, and carbonitrides. These materials display distinct characteristics with promising implications for a variety of practical applications. This book chapter provides an extensive exploration into MXenes’ fundamental concepts, such as how they are classified based on various...
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Application of gas chromatography to evaluate the quality of rapeseed oil
PublicationTwo-dimensional gas chromatography is an analytical technique, which is increasingly being used in food research. Through the analysis of volatile fraction, it is possible to determine the quality of food products. One of the reasons for the deterioration of food is thermal degradation. Products that are often subject to degradation reactions due to temperatures are edible oils. In the thesis, the results of edible oils with different...