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Wyniki wyszukiwania dla: NON-ADIABATIC CHEMISTRY
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Amyloid fibril formation in the presence of water structure-affecting solutes
PublikacjaThe impact of the differently hydrated non-electrolytes (protein structure destabilizers) on the fibrillation of hen egg white lysozyme (HEWL) was investigated. Two isomeric urea derivatives i.e. butylurea (BU) and N,N,N′,N′-tetramethylurea (TMU) were chosen as a tested compounds. The obtained results show that butylurea exerts greater impact on HEWL and its fibrillation than tetramethylurea. Both substances decrease the time of...
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Anticancer Study on IrIII and RhIII Half-Sandwich Complexes with the Bipyridylsulfonamide Ligand
PublikacjaTwo non-platinum compounds, organometallic half-sandwich complexes [(η 5 -Cp)IrCl(L)]PF 6 (1) and [(η 5 -Cp)RhCl(L)]PF 6 (2) were prepared by treating pentamethylcyclopentadienyl chloride dimers of iridium(III) or rhodium(III) with the obtained 4-amino-N-(2,2'-bipyridin-5- yl)benzenesulfonamide ligand (L) and ammonium hexafluorophosphate. The crystal structures of ligand (L) and complexes 1 and 2 were obtained and then analyzed. Coordination...
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Application of passive sampling techniques as a usable tool in the field of environmental quality monitoring
PublikacjaAnalysis of literature data published for the past 20 years leads to the conclusion, that passive sampling technique has been developing very quickly and is commonly used in the field of monitoring pollutants in air, water and soil environment. The popularity of application of passive sampling techniques in analytical and environmental chemistry results from its many advantages e.g.: Simplicity in use, low costs of exploitation,...
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A review of amide bond formation in microwave organic synthesis
PublikacjaMicrowave-Assisted Organic Synthesis (MAOS) is one of the most current trends in organic chemistry. Herein, both the most popular and new approaches in microwave-syntheses of very important linkage in Nature - amide bond - are overviewed and compared with conventional synthetic routes.
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New methodology for determination cationic surfactants in liquid environmental samples
PublikacjaBecause of their specific physical and chemical properties (e.g. amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate. Mainly,...
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2-Methylphenyl 2-methoxyacridine-9-carboxylate
PublikacjaThe title compound, C22H17NO3, crystallizes in the monoclinic space group P21/c with four molecules per unit cell. The molecules are arranged in centrosymmetric pairs, joined via the C and attached H atoms in the meta position relative to the methoxy group. These pairs are bonded in the crystalline phase as a result of non-specific dispersive interactions, and through a network of C—H⋯O interactions involving the non-bonded O...
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Oznaczanie śladowych ilości związków organicznych w próbkach o złożonych matrycach zgodne z regułami ''zielonej chemii analitycznej''. Krótkołańcuchowe kwasy karboksylowe = Increasingly green approaches to the determination of selected trace organic in complex matrices. Short chain carboxylic acids
PublikacjaNowadays the great stress is put on environment protection and the activities to minimize the effect of chemical analyses on the environment are discussed. When environmentally friendly methodologies of analytes determination are applied the term "green analytical chemistry" is used. In general, the determination of organic compounds in complex matrices, which is a frequent analytical task, requires separation of sample components...
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On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions
PublikacjaThe coordination chemistry and the volumetric properties of three representative lanthanoid(III) ions lanthanum-(III), gadolinium(III), and lutetium(III) have been studied in three amide solvents with gradually increasing spatial demand upon coordination: N,N-dimethylformamide (dmf)
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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On the electronic structure of methyl butyrate and methyl valerate
PublikacjaWe present novel results of the analysis of the electronic structure of two aliphatic esters: methyl butyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectron spectra recorded...
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A new tool for the evaluation of the analytical procedure: Green Analytical Procedure Index
PublikacjaA new means for assessing analytical protocols relating to green analytical chemistry attributes has been developed. The new tool, called GAPI (Green Analytical Procedure Index), evaluates the green character of an entire analytical methodology, from sample collection to final determination, and was created using such tools as the National Environmental Methods Index (NEMI) or Analytical Eco-Scale to provide not only general but...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublikacjaOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Understainding solid-phase microextraction: key factors influencing the extraction process and trends in improving the technique
PublikacjaAnalytical chemists are faced with the daunting challenges of accurately monitoring the state of the environment and the processes taking place in it and of determining an enormous range of analytes often present in trace and ultratrace amounts in sample matrixes with complex or variable compositions. Further challenges are presented by the need to introduce new methodologies into current analytical practice and equipment to comply...
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ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublikacjaHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
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AGREEMIP: The Analytical Greenness Assessment Tool for Molecularly Imprinted Polymers Synthesis
PublikacjaMolecular imprinting technology is well established in areas where a high selectivity is required, such as catalysis, sensing, and separations/sample preparation. However, according to the Principles of Green Chemistry, it is evident that the various steps required to obtain molecularly imprinted polymers (MIPs) are far from ideal. In this regard, greener alternatives to the synthesis of MIPs have been proposed in recent years....
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Spatial variability of the hydrochemistry of shallow groundwaters and surface waters of the Rensdyrbekken: A case study of a permafrost catchment in Bellsund (SW Spitsbergen, Svalbard)
PublikacjaProgressive climate change may have unpredictable consequences for the Arctic environment. Permafrost catchments off the west coast of Svalbard, described as “thin” and “warm,” are particularly sensitive to climate change. The interdisciplinary research on the hydrochemical response of surface and underground water functioning within a small permafrost catchment area focused on the determination of the impact of meteorological...
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Charge dependence of fragmentation process induced by ion collisions with furan molecule
PublikacjaThe goal of this work is to describe the system evolution after ion-molecule interaction. We combine different quantum chemistry and statistical mechanics approaches in order to give extended description of the process. Herein we report on a recent study of the fragmentation mechanism of neutral, singly- and doubly-ionized furan molecule in the gas phase.
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Study of Cloud Water Samples Collected over Northern Poland
PublikacjaThe paper gives the results of the first studies on the chemistry of cloud water collected during 3 mo (Aug.–Oct. 2010) in the free atmosphere over the area to the south of the Tri-City (Gdansk-Sopot-Gdynia) conurbation on the Gulf of Gdansk, Poland. Taken from cumulus, stratus, and stratocumulus clouds by means of an aircraft-mounted collector, the water samples were analyzed for the following contaminants: anions (chlorides,...
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Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules
PublikacjaThe photofragmentation of the isoxazole molecules producing ionized atomic and molecular fragments was investigated in the photon energy range of 9e32 eV, using synchrotron radiation excitation combined with ion time-of-flight spectrometry. Twenty-one well resolved cations were identified in the mass spectra of the isoxazole, and their appearance energies were determined. The yield curves of these cations were obtained in the photon...
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Consequences of suboptimal design of Building Integrated Photovoltaic Installation – a case study for Gdansk, Poland
PublikacjaThe carried out analysis concerns 2 kWp building integrated photovoltaic installation (BIPV) at the Chemistry Faculty of Gdansk University of Technology. It was proven that the generated energy data for every month diverge significantly from the expected vales. It is corelated with suboptimal orientation of the installation itself, as well as with the tilt angle varying from optimal.
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The Toolbox of Methods for Multidirectional Characterization of Dietary Nucleic Acids; Verification for Raw and Processed Food Products
PublikacjaCurrently, the nutritional value of food is associated mainly with components such as proteins, carbohydrates, and lipids. However, another important macromolecules present in many foods are dietary nucleic acids (dietNA), i.e., DNA as well as both coding and non-coding RNAs. In the context of food chemistry and nutrition, dietNA are nowadays vastly neglected. In consequence, there are no dedicated methodologies to characterize...
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Molecularly imprinted polymers for the detection of volatile biomarkers
PublikacjaIn the field of cancer detection, the development of affordable, quick, and user-friendly sensors capable of detecting various cancer biomarkers, including those for lung cancer (LC), holds utmost significance. Sensors are expected to play a crucial role in the early-stage diagnosis of various diseases. Among the range of options, sensors emerge as particularly appealing for the diagnosis of various diseases, owing to their cost-effectiveness,...
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Ranking of Heterogeneous Catalysts Metals by Their Greenness
PublikacjaCatalysis is very important process in industry and laboratory practice, especially from the point of green chemistry principles. However, eco-friendly character of heterogeneous catalysts, containing transition metal components has not been evaluated, yet. Therefore, we perform a comprehensive assessment of 18 heterogeneous metal catalysts (Pd, Pt, V, Co, Ni, Mo, Ru, Mn, Au, Cu, Cd, Zr, Fe, Rh, Ir, Sn, Zn, Ag) using multicriteria...
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Advanced Potential Energy Surfaces for Molecular Simulation
PublikacjaAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Effects of Salvia officinalis and Thymus vulgaris on oxidant-induced DNA damage and antioxidant status in HepG2 cells
PublikacjaSalvia officinalis (SO) and Thymus vulgaris (TV) are medicinal plants well known for their curative powers. However, the molecular mechanisms responsible for these abilities of sage and thyme have not been fully understood yet. In this study we investigated the composition and the quantitative estimation of plant extracts, the protective effects of plant extracts against hydrogen peroxide- and 2,3-dimethoxy-1,4 naphthoquinone-induced...
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Residence time distribution in rapid multiphase reactors
PublikacjaResidence time distribution (RTD) provides information about average hydraulic residence time and the distribution of material in the reactor. A method for determining RTD for reactors with very short hydraulic residence times is deconvolution based on extraction of real RTD by the analysis of a non-ideal input signal. The mean residence time and dispersion were determined for the spinning fluids reactor (SFR). For the first time...
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Selected issues related to the toxicity of ionic liquids and deep eutectic solvents—a review
PublikacjaGreen Chemistry plays a more and more important role in implementing rules of sustainable development to prevent environmental pollution caused by technological processes, while simultaneously increasing the production yield. Ionic liquids (ILs) and deep eutectic solvents (DESs) constitute a very broad group of substances. Apart from many imperfections, ILs and DESs have been the most promising discoveries in the world of Green...
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Duhem and Natanson: Two Mathematical Approaches to Thermodynamics
PublikacjaIn this article, the previously unrecognized contributions of Pierre Duhem and Ladislavus Natanson in thermodynamics are shown. The mathematical remodelling of a few of their principal ideas is taken into consideration, despite being neglected in the literature. To emphasize these ideas in an appropriate epistemological order, it would be crucial to first revalue and reconstruct some underrepresented parts of the proceedings process...
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Deep eutectic solvents in analytical sample preconcentration Part B: Solid-phase (micro)extraction
PublikacjaOne of the key challenges of modern analytical chemistry is the monitoring of trace amounts of contaminants using sensitive and selective instrumental techniques. Due to the variety and complexity of some samples, it is often necessary to properly prepare a sample and to perform a preconcentration of trace amounts of analytes. In line with the principles of Green Analytical Chemistry (GAC), it is important for an analytical procedure...
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Multicriteria decision analysis in ranking of analytical procedures for aldrin determination in water
PublikacjaThe study presents the possibility of multi-criteria decision analysis (MCDA) application when choosing analytical procedures with low environmental impact. A type of MCDA, Preference Ranking Organization Method for Enrichment Evaluations (PROMETHEE), was chosen as versatile tool that meets all the analytical chemists – decision makers requirements. Twenty five analytical procedures for aldrin determination in water samples (as...
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Green and Sustainable Membranes: A review
PublikacjaMembranes are ubiquitous tools for modern water treatment technology that critically eliminate hazardous materials such as organic, inorganic, heavy metals, and biomedical pollutants. Nowadays, nano-membranes are of particular interest for myriad applications such as water treatment, desalination, ion exchange, ion concentration control, and several kinds of biomedical applications. However, this state-of-the-art technology suffers...
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Chemical-Assisted Mechanical Lapping of Thin Boron-Doped Diamond Films: A Fast Route Toward High Electrochemical Performance for Sensing Devices
PublikacjaThere is an urgent need for an effective and economically viable increase in electrochemical performance of boron-doped diamond (BDD) electrodes that are used in sensing and electrocatalytic applications. Specifically, one must take into consideration the electrode heterogeneity due to nonhomogenous boron-dopant distribution and the removal of sp2 carbon impurities saturating the electrode, without interference in material integrity....
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Potential energy curves, transition and permanent dipole moments of KRb
PublikacjaWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Topological extraordinary optical transmission
PublikacjaΤhe incumbent technology for bringing light to the nanoscale, the near-field scanning optical microscope, has notoriously small throughput efficiencies of the order of 10^4-10^5 or less. We report on a broadband, topological, unidirectionally guiding structure, not requiring adiabatic tapering and, in principle, enabling near-perfect (∼100%) optical transmission through an unstructured single arbitrarily subdiffraction slit at...
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Novel N-(aryl/heteroaryl)-2-chlorobenzenesulfonamide derivatives: synthesis and anticancer activity evaluation
PublikacjaA new series of N-(aryl/heteroaryl)-2-chlorobenzenesulfonamide derivatives 4-21 have been synthesized, and evaluated at the National Cancer Institute (USA) for their in vitro activities against a panel of 60 different human cancer cell lines. Among them, compounds 16, 20 and 21 exhibited remarkable cytotoxic activity against numerous human cancer cell lines. We found that sulfonamide derivative 21 appeared to be more selective...
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Theory and application of Near-infrared spectroscopy
PublikacjaIn recent years one can observe a significant increase in the requirements on quality control in all industrial sectors. The growing number of involved analyses makes the traditional, time consuming, requiring use of large quantities of reagents, thus expansive methods inconvenient especially for industrial applications. Fortunately, there is a very fast, cheap and not invasive analytical method that is increasingly used in qualitative...
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Ammonium and potassium vanadates: synthesis, physicochemical characterization, and applications
PublikacjaThis doctoral thesis is devoted to the synthesis and investigation of ammonium/potassium vanadates, which constitute an interesting group of materials due to their potential applications in electrochemical devices and photocatalysis. The scope of the conducted experimental work included the synthesis of ammonium/potassium vanadates, their physicochemical characterization using various methods (spectroscopy, microscopy, thermal...
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Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles in the Presence of Heterogeneous Catalyst
PublikacjaTetrazoles are five-membered heterocyclic compounds containing in their rings four nitrogen atoms. They have wide applications as corrosion inhibitors, analytical reagents, high-energy materials and gas generating compositions. Tetrazoles also play important role in coordination chemistry as ligands and in medicinal chemistry as metabolically stable surrogates for carboxylic acids. In recent years, investigation of new method of...
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Enzyme immobilization on magnetic nanoparticles
PublikacjaImmobilized enzymes have been commonly used in many branches of industry, biotechnology, medicine and also in analytical chemistry. Their use provides many advantages in comparison with free enzymes including repeated, easy recovery of the enzyme and improvement in enzyme stability. Enzymes are strong and specific catalysts, but are also expensive and fragile. Their immobilization and stabilization may reduce reaction costs, which...
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Microstructural and electrical properties of Y0.07Sr0.93-xTiO3-δ perovskite ceramics
PublikacjaIn order to find a relationship between electrical and microstructural properties, yttrium-doped strontiumtitanate (7 mol%) with various values of strontium nonstoichiometry was investigated and shown in this work.It has been observed that yttrium doping can affect the electrical properties of SrTiO3 to a great extent.Moreover, the microstructural and electrical properties can be influenced by strontium nonstoichiometry.The defect...
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Overview of the Synthesis and Catalytic Reactivity of Transition Metal Complexes Based on C═P Bond Systems
PublikacjaThis report provides an overview of the use of phosphaalkenes (C=P) in syntheses of various complexes. Going through successive complexes containing the d-block metals, we sought how this area of chemistry was formed over the years. Additionally, this work contains information on the possible coordination types and means of constructing the complexes. In addition, this review reveals the reactivities of phosphaalkene complexes...
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Nowe rozwiązania metodyczne i techniczne w zakresie techniki mikroekstrakcji do fazy stracjonarnej
PublikacjaSample preparation has been recognized as a critical step of the analytical process, being even considered as the bottleneck of the overall process. Enrichment of target compounds, transfer of the analytes into a solvent compatible with the analytical instrumentation, minimization of potential interferences, and efficient sample clean-up, are among the main aims of sample preparation techniques. In this regard, liquid-liquid extraction...
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Synthetic strategies in construction of organic macromolecular carrier–drug conjugates
PublikacjaMany metabolic inhibitors, considered potential antimicrobial or anticancer drug candidates, exhibit verylimited ability to cross the biological membranes of target cells. The restricted cellular penetration ofthose molecules is often due to their highhydrophilicity. One of the possible solutions to this problem is aconjugation of an inhibitor with a molecular organic nanocarrier. The conjugate thus formed should beable to penetrate...
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Połączenie G3 dwóch kierunków prostych z użyciem krzywej NURBS
PublikacjaW artykule przedstawiono nową metodę projektowania układu geometrycznego toru kolejowego opartą na zastosowaniu krzywych NURBS (Non-Uniform Rational B-Spline) do opisu krzywizny. Punkty kontrolne krzywej NURBS wyznaczane są w procesie optymalizacji za pomocą algorytmu genetycznego. Jako kryterium optymalizacji przyjęto minimalizację oddziaływań dynamicznych występujących w układzie tor-pojazd przy spełnieniu warunków geometrycznych...
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Sample preparation and recent trends in volatolomics for diagnosing gastrointestinal diseases
PublikacjaThe analysis of the human volatilome can be successfully used for rapid and non-invasive diagnostics of gastrointestinal diseases. However, the introduction of techniques based on detection of volatiles is limited, among other factors, by difficulties which arise during the sampling stage and instrumental analysis. The aim of this article was to review and discuss medical and analytical literature on the analysis of volatiles in...
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Microstructural and electrical properties of Y0:07Sr0:93−xTiO3− perovskite ceramics
PublikacjaIn order to find a relationship between electrical and microstructural properties, yttrium-doped strontium titanate (7 mol%) with various values of strontium nonstoichiometry was investigated and shown in this work. It has been observed that yttrium doping can affect the electrical properties of SrTiO3 to a great extent. Moreover, the microstructural and electrical properties can be influenced by strontium nonstoichiometry. The...
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Microstructural and electrical properties of Y0.07Sr0.93-xTiO3 perovskite ceramics
PublikacjaIn order to find a relationship between electrical and microstructural properties, yttrium-doped strontium titanate (7 mol%) with various values of strontium nonstoichiometry was investigated and shown in this work. It has been observed that yttrium doping can affect the electrical properties of SrTiO3 to a great extent. Moreover, the microstructural and electrical properties can be influenced by strontium nonstoichiometry. The...
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Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme
PublikacjaLow solubility of reactants or products in aqueous solutions can result in the enzymatic catalytic reactions that can occur in non-aqueous solutions. In current study we investigated aqueous solutions containing different organic solvents / deep eutectic solvents (DESs) that can influence the protease enzyme's activity, structural, and thermal stabilities. Retroviral aspartic protease enzyme is responsible for the cleavage of the...
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Beeswax And Palmitic Acid Utilization With Heat Pipes For Electronics Cooling
PublikacjaThis paper presents an experimental study of heat pipes supported by phase change materials (PCMs) coated at their adiabatic sections in application for electronics cooling. The PCMs investigated in this research were palmitic acid and beeswax, the latter being considered as a more cost-effective alternative. The study focused on three powers: 20W, 25W, and 30W. The experimental results revealed that the incorporation of palmitic...
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Photoelectron spectroscopy of a series of acetate and propionate esters
PublikacjaThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...