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Search results for: fractions of strontium
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Raw data for the paper "Mutually polarizable QM/MM model with in situ optimized localized basis functions"
Open Research DataThis dataset contains raw data used to generate plots in the paper Mutually polarizable QM/MM model with in situ optimized localized basis functions. The paper is devoted to a second generation of the TINKTEP model -- an QM/MM approach combining linear-scaling DFT (ONETEP) and a polarizable force field (AMOEBA).
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Solvation of alkaline earth metal ions in N,N-dimethylformamide and N,N-dimethylacetamide – A volumetric and acoustic study
PublicationDensities and sound velocities at temperatures (298.15, 303.15, 308.15, 313.15 and 318.15) K of magnesium(II), calcium(II) and strontium(II) rifluoromethanesulfonates (triflates), as well as barium(II) perchloratein N,N-dimethylformamide (dmf) and N,N-dimethylacetamide (dma) have been measured over the composition range studied. From these results, apparent molar volumes and apparent molar isentropic compressibilities at infinite...
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Lanthanide ions (Eu3+, Er3+, Pr3+) as luminescence and charge carrier centers in Sr2TiO4
PublicationA series of strontium orthotitanate (Sr2TiO4) samples doped with 2% of a mole of europium, praseodymium, and erbium were obtained using the solid-state synthesis method. The X-ray diffraction (XRD) technique confirms the phase purity of all samples and the lack of the influence of dopants at a given concentration on the structure of materials. The optical properties indicate, in the case of Sr2TiO4:Eu3+, two independent emission...
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A study of the kinetics of bismuth telluride synthesis by an oxide reduction method
PublicationThe kinetics of a reduction of bismuth and tellurium oxides in a hydrogen atmosphere, leading to the formation of thermoelectric bismuth telluride is investigated. The evaluation of the reaction kinetics was based on a thermogravimetric analysis performed in non-isothermal conditions. A non-parametric analysis method and the Friedman method were used for the evaluation of the data. Additionally, for a better understanding of the...
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Structural Properties and Water Uptake of SrTi1−xFexO3−x/2−δ
PublicationIn this work, Fe-doped strontium titanate SrTi1−xFexO3−x/2−δ, for x = 0–1 (STFx), has been fabricated and studied. The structure and microstructure analysis showed that the Fe amount in SrTi1−xFexO3−x/2−δ has a great influence on the lattice parameter and microstructure, including the porosity and grain size. Oxygen nonstoichiometry studies performed by thermogravimetry at different atmospheres showed that the Fe-rich compositions...
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Powder metallurgy of the porous Ti-13Nb-13Zr alloy of different powder grain size
PublicationThe objective of the present project was to determine the effects of powder granulation (fraction of grain size) for the Ti-13Nb-13Zr alloy, produced by powder metallurgy, on its porosity, grain cohesion, compressive strength, and Young`s modulus. Two powder fractions, 45–105 µm, and 106–250 µm were applied. The 50 mass pct of NH4HCO3 was added as a space holder. The specimens were in compaction stage uniaxially pressed at pressure...
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Electrical and structural properties of Nb-doped SrTiO3
PublicationNiobium-doped strontium titanate synthesized via conventional solid-state reaction has been studied. Influence of niobium content on the lattice parameters and electrical conductivity has been reported. Various reduction conditions have been investigated. For samples reduced in hydrogen at 1400°C, a transition from thermally activated to metallic behavior has been observed. Maximum electrical conductivity (ca. 55 Scm−1 at 650°C)...
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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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Single chamber solid oxide fuel cell - investigation of cathodes
PublicationSporo uwagi w ostatnim okresie przykuwają jednokomorowe ogniwa w związku z potencjalnym uroszczeniem konstrukcji w porównaniu z konwencjonalnymi ogniwami. W pracy zbadano wpływ warunków syntezy różnych materiałów katodowych na wydajność ogniw. Ogniwa zbudowane zostały z typowych materiałow stosowanych na ogniwa: stabilizowanego tleneku cyrkonu jako elektrolit, cermetu niklowego jako anody oraz samaru kobaltanu domieszkowanego strontem,...
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Sensitive Demonstration of the Twin-Core Couplers including Kerr Law Non-Linearity via Beta Derivative Evolution
PublicationTo obtain new solitary wave solutions for non-linear directional couplers using optical meta-materials, a new extended direct algebraic technique (EDAT) is used. This model investigates solitary wave propagation inside a fiber. As a result, twin couplers are the subject of this study. Kerr law is the sort of non-linearity addressed there. Because it offers solutions to problems with large tails or infinite fluctuations, the resulting...
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Dataset of phase portraits of the fractional prey-predator model with Holling type-II interaction (without predator harvesting)
Open Research DataThe need for a fractional generalization of a given classical model is often due to new behaviors which cannot be taken into account by the model. In this situation, it can be useful to look for a fractional deformation of the initial system, trying to fit the fractional exponent of differentiation in order to catch properly the data.
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Reaction quotients of reforming reactions for SOFC and SOFC with LSCNT layer fueled by biogas mixture at 750 C - longterm
Open Research DataThe dataset contains the calculated reaction quotients of reforming reactions for the SOFC and SOFC with LSCNT layer (La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s) fueled by synthetic biogas mixture (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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Potential energy curve, rovibrational energies and nuclear wave functions of 2 singlet Pi state in KLi dimer
Open Research DataThis data sets contains potential energy curve, energy levels and nuclear wave functions of rovibrational states of KLi dimer in 2 singlet Pi electronic state. Potential energy curve (PEC) for the electronic state was calculated in the Born-Oppenheimer approximation by the means of effective core potentials and MRCI method. Nuclear wave functions and...
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Apparent molar volumes and compressibilities of alkaline earth metal ions in methanol and dimethylsulfoxide
PublicationTemperature dependencies of density of magnesium (II), calcium (II), strontium (II), barium (II) perchlorates as well as beryllium (II), and sodium trifluoromethanesulfonates in methanol and dimethylsulfoxide have been determined over the composition range studied. From density data the apparent molar volumes and partial molar volumes of the salts at infinite dilution as well as the expansibilities have been evaluated. The apparent...
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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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Dariusz Witt prof. dr hab. inż.
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A Fortran-95 algorithm to solve the three-dimensional Higgs boson equation in the de Sitter space-time
Open Research DataA numerically efficient finite-difference technique for the solution of a fractional extension of the Higgs boson equation in the de Sitter space-time is designed. The model under investigation is a multidimensional equation with Riesz fractional derivatives of orders in (0,1)U(1,2], which considers a generalized potential and a time-dependent diffusion...
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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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Właściwości strukturalne i katalityczne domieszkowanych związków typu SrTi(1-x)Fe(x)O3
PublicationPublikacja naukowa opisująca wytwarzanie i badanie właściwości strukturalnych i katalitycznych domieszkowanego itrem i żelazem tytanianu strontu.
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Donor-substituted SrTi1+xO3−δ anodes for SOFC
PublicationPrzebadano wpływ niestechiometrii na właściwości tytanianu strontu domieszkowanego niobem. Zaproponowano chemię defektów dla tego typu związków.
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Solid oxide fuel cells with Ni-infiltrated perovskite anode
PublicationWytworzono próbki na bazie tytanianu strontu domieszkowanego niobem i przebadano wpływ nasączania niklem na właściwości tych materiałów.
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The quality of sewage sludge stabilized for a long time in reed basins
PublicationThe aim of the work was to determine changes of long-term sewage sludge quality stabilized in reed basins from 7-15 years. The following parameters were evaluated: dry matter and organic matter concentration, nitrogen, phosphorus, and selected heavy metal (Cd, Ni, Pb, Cr, Cu, Zn) fractions. The material for the investigations was collected from 4 reed basin systems (utilisated sewage sludge) located in conventional WWTPs in Denmark...
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Quantification of ultrafine airborne particulate matter generated by the wear of car brake materials
PublicationThe wear of car brakes is one of the main sources of airborne particulate matter in urban environments. Ultrafine wear particles are of special environmental interest since they can easily penetrate the human body through inhalation and cause various diseases. In the present study, the contribution of ultrafine particles to airborne particulate matter emitted from car brake materials was investigated under different friction conditions....
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On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublicationThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
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Direct design of Controlled Modulus Columns (CMC) based on in-situ testing
PublicationIn this paper, the serviceability limit state and bearing capacity of tension screw displacement piles were analyzed using the results of static pile load tests, carried out on the test plot near the Elbląg city, and field, and laboratory tests. The paper presents the methodology of determining the pile load-settlement curve using different types of t-z transfer functions. The new method of constructing the pile load-settlement...
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An inclination in Thermal Energy Using Nanoparticles with Casson Liquid Past an Expanding Porous Surface
PublicationPhysical aspects of inclined MHD nanofluid towards a stretching sheet embedded in a porous medium are visualized. Two types of nanoparticles are used named as copper and alumna dioxide with water as base fluid. Similarity transformations are used to convert the partial differential equations into the set of ordinary differential equation. Closed solutions are found to examine the velocity and the temperature profiles. It is examined...
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Hydrological indicators of water zones in inundation, historical water levels, and forcing data for the 1881-2099 period in the lower Biebrza valley
Open Research DataThis data set contains hydrological (1) indicators of water source extents in the Biebrza River floodplain (NE Poland) simulated using an integrated hydrological model (IHM), (2) forcing data for the IHM, and (3) water levels in the Osowiec station from the period 1881-1910.
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Paintings
PublicationThe painting as a curtain (...) A contradiction is therefore what constitutes a painting, and ambiguity is its right. As a young artist, I intuitively defined the work of art as a boundary. Over the years that intuition changed into a conviction that the particular form of art which is painting at the same time reveals and hides; it exists at this intersection of functions as a see-through curtain. We don’t know why there are some...
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The luminescence study of Sr2TiO4:Sm3+ coumpounds.
Open Research DataA luminescent material based on the strontium orthotitanate (Sr2TiO4) matrix doped with 1% of a mole of samarium was obtained using the typical solid-state synthesis method under a neutral atmosphere of nitrogen. The sample was investigated using powder X-ray diffraction (XRD) and several luminescence techniques to study the phase composition, luminescence...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Badanie ogniwa paliwowego typu SORC z anodą na bazie perowskitu SrTi03
PublicationPublikacja naukowa opisująca budowę i badanie ogniwa paliwowego typu SOFC zbudowanego na elektrolicie z zastosowaniem anody na bazie domieszkowanego donorowo tytanianu strontu.
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Hyperbolic heat conduction at a microscopic sliding contact with account of adhesion-deformational heat generation and wear
PublicationDifferent non-Fourier models were proposed to simulate temperatures in materials subjected to extremely fast thermal disturbances, when the speed of heat propagation should be concerned. The present study investigated temperature and heat balance at a microscopic sliding contact during a single frictional interaction based on the Cattaneo-Vernotte hyperbolic heat conduction equation. Two fundamental features of friction, namely,...
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Modeling and simulation of blood flow under the influence of radioactive materials having slip with MHD and nonlinear mixed convection
PublicationRadioactive 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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Assessment of metal removal in a surface flow constructed wetland treating landfill leachate
PublicationThe study concerns heavy metal retention and transformation processes in a free water surface constructed wetland treating landfill leachate in a temperate climate. The total effectiveness of heavy metals removal in the analyzed CW was evaluated basing on heavy metals inflow and outflow concentrations. The concentrations of eight heavy metals (Fe, Mn, Zn, Pb, Ni, Cu, Cr, Cd) in landfill leachate (LL) and sediments were measured....
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Ocena odporności powłok na bazie DLC na doraźne uszkodzenie w warunkach tarcia ślizgowego ze smarowaniem wodą i solą fizjologiczną = Evaluation of DLC based coatings resistance to instanteneous damage under sliding friction conditions with distilated water or saline lubrication
PublicationWykonano serię testów w celu wyznaczenia granicznych warunków wymuszenia, zdefiniowaego jako średnie naciski powierzchniowe oraz prędkość ślizgania, po przekroczeniu których następuje gwałtowne zniszczenie powłoki. Na podstawie wyników pomiarów opracowano aproksymowane charakterystyki granicznych wymuszeń w układzie p - v oraz pokrewnych dla badanych materiałów, smarów i zakresu parametrów wymuszenia.
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Generalization of Kramers-Krönig relations for evaluation of causality in power-law media
PublicationClassical Kramers-Krönig (K–K) relations connect real and imaginary parts of the frequency-domain response of a system. The K–K relations also hold between the logarithm of modulus and the argument of the response, e.g. between the attenuation and the phase shift of a solution to a wave-propagation problem. For square-integrable functions of frequency, the satisfaction of classical K–K relations implies causality in the time domain....
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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...
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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...