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Search results for: SOLID STATE CHEMISTRY
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Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition
PublicationHeterocyclic pharmacophores such as thiazole and quinoline rings have a significant role in medicinal chemistry. They are considered privileged structures since they constitute several Food and Drug Administration (FDA)-approved drugs for cancer treatment. Herein, we report the synthesis, in silico evaluation of the ADMET profiles, and in vitro investigation of the anticancer activity of a series of novel thiazolyl-hydrazones based...
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The pulsed laser ablation synthesis of colloidal iron oxide nanoparticles for the enhancement of TiO2 nanotubes photo-activity
PublicationThe rapid, only a few minutes long synthesis of FeO, Fe3O4, and Fe2O3nanoparticles mixture utilizing the pulsedlaser ablation using simply pure iron target and water was demonstrated. The size and crystal phase of Fe-basedNPs were characterized using DLS and HR-TEM techniques, respectively. The metastable suspension of FeO,Fe3O4, and Fe2O3nanoparticles was used to the decoration of anodized TiO2nanotubes (TiO2-NTs) by means ofthe...
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Investigation of tetrabutylammonium bromide-glycerol-based deep eutectic solvents and their mixtures with water by spectroscopic techniques
PublicationDeep eutectic solvents (DES) are formed by an acceptor and a donor of hydrogen bonds. They are generally considered as a possible alternative to hazardous organic solvents in various fields. Very recently they have also appeared in analytical chemistry, used mainly for the separation of analytes before instrumental quantification. For the development of new extraction procedures, it is important, among other things, to understand...
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Metals and metal-binding ligands in wine: Analytical challenges in identification.
PublicationBackground Due to important role of metals in the vinification process as well as their impact on the human health, their content in this alcoholic beverage has been extensively studied by many researchers. It is already known that speciation of metals determines their toxicity and bioavailability as well as influences their activity. Understanding the chemistry and knowing the structures of metal complexes could have relevant...
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Mitigating metal-organic framework (MOF) toxicity for biomedical applications
PublicationMetal-organic frameworks (MOFs) are a novel class of crystalline porous materials, consisting of metal ions and organic linkers. These hybrid materials are highly porous and have a large specific surface area, making them of great interest for applications in gas separation, energy storage, biomedical imaging, and drug delivery. As MOFs are being explored for biomedical applications, it is essential to comprehensively assess their...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Detection of anomalies in bee colony using transitioning state and contrastive autoencoders
PublicationHoneybees plays vital role for the environmental sustainability and overall agricultural economy. Assisting bee colonies within their proper functioning brings the attention of researchers around the world. Electronics systems and machine learning algorithms are being developed for classifying specific undesirable bee behaviors in order to alert about upcoming substantial losses. However, classifiers could be impaired when used...
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THE COMPOSITION MODULATION EFFECT IN GaInPAs SOLID SOLUTIONS AS A MANIFESTATION OF ENERGY RESONANCE AFTER MATERIAL'S SPINODAL DECOMPOSITION
PublicationThe Cahn-Hilliard model concepts are extended to describe the spinodal decomposition of Ga$_x$In$_{1-x}$P$_y$As$_{1-y}$ solid solutions grown on the InP substrate. The energy of elastic deformation of the thin layer of a solid solution was calculated on the assumption of its coherent conjugation with the massive InP substrate. The excess energy of component mixing in the solid phase was modeled in accordance with the simple solution...
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State of Development of Intelligent Transport Systems Services on National Roads in Poland
PublicationIn recent years we can see intensifying implementation of Intelligent Transport System (ITS) measures in Polish cities and on national roads. The architecture of the National Traffic Management System (KSZR) will enable the implementation of a uniform, integrated and intelligent ICT system to launch ITS systems that are the most important for drivers and the General Directorate for National Roads and Motorways (GDDKiA). This paper...
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SUICIDES FOR ECONOMIC REASONS AS A MEASURE OF THE STATE OF THE ECONOMY: THE CASE OF POLAND
PublicationSuicides are a phenomenon observed in many countries. The causes of a decision so drastic as far as consequences are concerned include i.a. economic reasons. The question arises whether the changing number of suicides reflects the state of the economy. The direct link between the state of the economy and suicides has not been sufficiently studied so far. The authors of this article attempted to identify the links between selected...
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Chemistry of non-precipitation components of wet deposition with Poland as an example
PublicationW pracy przedstawiono badania dotyczące chemizmu osadów atmosferycznych pobieranych na terenie Polski w okresie od 2004 do 2007 roku. Średni skład jonowy (TIC) dla rosy, szronu i mgły (w stanie ciekłym i stałym) wynosił odpowiednio 2147, 1929 i 1014 µeq/l, gdzie typowy skład jonowy TIC dla opadów atmosferycznych wynosi 318 µeq/l. Dla wszystkich typów osadów atmosferycznych różne jony pełnią ważną rolę: Ca2+ i SO42-...
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Dew and hoarfrost frequency, formation efficiency and chemistry in Wroclaw, Poland
PublicationThis article presents the results of a research study concerning a comparison of frequency, formation efficiency and basic physico-chemical properties of dew and hoarfrost in urban conditions. Longer than two-year series of measurements was carried out from 1 February 2008 to 10 March 2010 in Wroclaw, Poland. Sampling of atmospheric deposits was made by means of insulated plain passive radiative condensers, which allowed to collect...
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Environmental Role of Rime Chemistry at Selected Mountain Sites in Poland
PublicationThe results of field experiments on fog pollutantdeposition enhanced by local mountain climate, completed by thedendrochronological analysis of the forest response, are presentedin this paper. In spite of their low absolute altitude (1,000-1,600 ma.s.l), the Sudetes and the Silesian Beskid form a noticeable orographicbarrier for the airflow of the humid Atlantic air masses.This results in the increase of cloudiness and fog frequency...
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Green Analytical Chemistry in Determination of Volatile Fatty Acids in Wastewater
PublicationCharakterystyka metodyk oznaczania lotnych kwasów tłuszczowych w próbkach wodnych, opierających się na Zasadach Zielonej Chemii. Opis zastosowania techniki bezpośredniego dozowania próbki wodnej do chromatografu gazowego, techniki analizy fazy nadpowierzchniowej oraz techniki mikroestrakcji do fazy stacjonarnej.
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Point cloud based surface analysis of prestressed concrete element in exceeded state of serviceability
PublicationBy definition, serviceability state is characterized by the fact that despite meeting the requirements associated with carrying capacity, the object is not suitable for use. Serviceability limit state refers to factors, such as durability, overall stability, fire resistance, cracking, excessive vibration. Perfect examples of exceeded serviceability state are the improper vibration of a skyscraper, which inhabitants may suffer from...
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STEADY STATE VISUALLY EVOKED POTENTIALS FOR BRAIN COMPUTER INTERFACE
PublicationAn experiment conducted to validate a possibility of use a single active electrode EEG device for detecting Steady State Visually Evoked Potentials (SSVEP) is shown. A LED stimulator was applied to stimulate patients with two different frequencies - 13 Hz and 17 Hz. First, EEG signals were recorded and pre-processed using MATLAB software. In the next step recordings were analysed and classified employing the WEKA software. As indicated...
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Formation of intermetallic compounds in the solid-liquid composites of the Ga-Ni system
PublicationThe processes of formation of intermetallic compounds in the composite system of liquid gallium-nickel powder by the methods of x-ray diffraction, scanning electron microscopy and differential thermal analysis have been studied. A change in the phase composition was discovered and the influence of thermal treatment of the composites under investigation on the phase formation processes was analyzed. The mechanism of gallium enriched...
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Experimental Determination of Limit Adhesive Shear Strtess between Solid Wall and Liquid
PublicationTheoretically slip of a fluid with respect to the solid wall should occur even at a very low velocity of motion. However theoretical analysisand some empirical data suggest that there must be a limit value of shear stress, below which the slip does not appear. A simple metyhod of this stress determination was proposed in the paper.
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Chosen aspects of skeletal system modeling: Numerical solid and shell models of femur part
PublicationThe purpose of this paper is to present a new method of femur part modeling by using the finite element method. This method treats a femur part as a system composed of cortical and trabecular bone. For the purpose of determining a proper shape of femur part model there were created three models: a) the first one describes a femur part as a solid structure; b) the second one describes a femur part as a connection of cortical bone...
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Human subarachnoid space width oscillations in the resting state
PublicationAbnormal cerebrospinal fluid (CSF) pulsatility has been implicated in patients suffering from various diseases, including multiple sclerosis and hypertension. CSF pulsatility results in subarachnoid space (SAS) width changes, which can be measured with near-infrared transillumination backscattering sounding (NIR-T/BSS). The aim of this study was to combine NIR-T/BSS and wavelet analysis methods to characterise the dynamics of the...
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Construction and investigation of SO2 amperometric sensor with a solid polymer electrolyte membrane
Publicationn this paper a sensor for detection of the sulphur dioxide based on three electrode cell configuration with a liquid electrolyte, a mercury sulphate reference electrode and a solid polymer electrolyte working electrode is presented. Working elec- trode was obtained by using Takenaka-Torikai chemical deposi- tion method by precipitation of Au particles into the pores of the Nafion membrane. Sensors characteristics measurements were...
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Development of a vortex-assisted switchable-hydrophilicity solvent-based liquid phase microextraction for fast and reliable extraction of Zn (II), Fe (II), Pb (II), and Cd (II) from various baby food products
PublicationThis manuscript describes the development of a novel liquid phase microextraction (LPME) method for the extraction and determination of Zn (II), Fe (II), Pb (II), and Cd (II) in various infant/baby food and supplements products. The method is based on vortex-assisted extraction combined with a switchable-hydrophilicity solvent (SHS) sample preparation. The SHS, which undergoes reversible phase changes triggered by pH change, enables...
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Chemistry of human breast milk – a comprehensive review of the composition and role of milk metabolites in child development
PublicationEarly nutrition has an enormous influence on a child's physiological function, immune system maturation and cognitive development. Human breast milk (HBM) is recognized as the gold standard for human infant nutrition. Accordingly to WHO report breastfeeding is consider as an unequalled way of providing ideal food to the infant, which is required for his healthy growth and development. HBM contains various macronutrients (carbohydrates,...
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Analytical Steady-State Model of the Pipeline Flow Process
PublicationThe paper addresses the issue of modeling the flow process in transmission pipelines. A base model used for numerical simulation is introduced. Under certain assumptions concerning steady state analysis, the differential equations describing the process are solved analytically for two cases: zero and nonzero inclination angle α. These equations describe a constant flow rate and a corresponding distribution of the pressure along...
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Solid phase synthesis of two muramyl pentapeptide derivatives
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Finite-state lexical tools
PublicationArtykuł przedstawia trzy pakiety oprogramowania zawierające narzędzia poziomu leksykalnego wykorzystujące automaty skończone: dwa zbiory samodzielnych programów i skryptów pomocniczych - jeden używający prostych automatów skończonych, drugi używający automatów Mealy`ego oraz bibliotekę funkcji. Wszystkie przedstawione pakiety posiadają podobne funkcje. Zamiast opisywać poszczególne pakiety, opis skupiony jest na dostarczanych przez...
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Distributed state estimation using a network of asynchronous processing nodes
PublicationWe consider the problem of distributed state estimation of continuous-time stochastic processes using a~network of processing nodes. Each node performs measurement and estimation using the Kalman filtering technique, communicates its results to other nodes in the network, and utilizes similar results from the other nodes in its own computations. We assume that the connection graph of the network is not complete, i.e. not all nodes...
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Distributed state estimation using a network of asynchronous processing nodes
PublicationWe consider the problem of distributed state estimation of continuous-time stochastic processes using a~network of processing nodes. Each node performs measurement and estimation using the Kalman filtering technique, communicates its results to other nodes in the network, and utilizes similar results from the other nodes in its own computations. We assume that the connection graph of the network is not complete, i.e. not all nodes...
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From polymer waste to potential main industrial products: Actual state of recycling and recovering
Publicationlastics have become widely used materials in everyday life due to their special properties such as durability, easy processing, light-weight and low-cost of production. However, because of their stable and non-biodegradable nature, postconsumer plastics become an issue to the environment. The growing amounts of waste are generated, as plastic products are commonly used only once before disposal. The alternatives of practical techniques...
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NANOCRYSTALLINE CATHODES FOR SOLID OXIDE FUEL CELLS MADE OF NOBLE METALS
PublicationCathodes for solid oxide fuel cells prepared by the infiltration method at 600 °C are presented. The infiltration method allows to produce stable, nanostructured electrodes. Cathodes were prepared using gold, platinum, La2NiO4+δ (L2N) and La0.6Sr0.4Co0.2Fe0.8O3 δ (LSCF). Symmetrical cathode/electrolyte/cathode samples were prepared and examined with SEM microscopy and electrochemical impedance spectroscopy. Despite successful deposition...
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Giant Nernst effect in the incommensurate charge density wave state of P4W12O44
PublicationWe report the study of Nernst effect in quasi-low-dimensional tungsten bronze P4W12O44 showing a sequence of Peierls instabilities. We demonstrate that both condensation of the electronic carriers in the charge density wave state and the existence of high-mobility electrons and holes originating from the small pockets remaining in the incompletely nested Fermi surface give rise to a Nernst effect of a magnitude similar to that...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublicationSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublicationA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Evaluation of citric acid corrosion inhibition efficiency and passivation kinetics for aluminium alloys in alkaline media by means of dynamic impedance monitoring
PublicationA novel approach is proposed for constructing the adsorption isotherm in corrosion studies, based on a well-known interaction between citric acid and aluminium in alkaline electrolytes. Our approach utilizes the instantaneous impedance measurements via Dynamic Electrochemical Impedance Spectroscopy in galvanostatic mode (g-DEIS). Unlike other common tools, g-DEIS delivers exact information about the concentration required for full...
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Sources and composition of chemical pollution in Maritime Antarctica (King George Island), part 2: Organic and inorganic chemicals in snow cover at the Warszawa Icefield
PublicationThe study area is located on King George Island, where 90% of the area is permanently glaciated. This study provides a comprehensive analysis of the inorganic and organic chemistry of snow cover in the icefield and a comparison against previous results obtained in fresh water. Snow samples were collected in the summer of 2017 in the Warszawa Icefield area. Sampling points are located along two transects: between the Arctowski Polish...
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Synergy between AgInS2 quantum dots and ZnO nanopyramids for photocatalytic hydrogen evolution and phenol degradation
PublicationDespite the unique properties of single semiconductor nanomaterials and quantum dots, poor photocatalytic activity has characterized them and the fabrication of nanocomposites has become necessary to enhance their photocatalytic performance. Thus, AgInS2 quantum dots (AIS QDs, 4.0±1.6 nm), have been successfully prepared and loaded onto ZnO nanopyramids (ZnO NPy). The effect of the nominal amount of AIS QDs decorating ZnO NPy on...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Synthesis of CoFe2O4 Nanoparticles: The Effect of Ionic Strength, Concentration, and Precursor Type on Morphology and Magnetic Properties
PublicationThe present study highlights the effect of metal precursor types (SO4 2¯, Cl¯, and NO3¯), their concentration, and the influence of ionic strength of reaction environment on the morphology, surface, and magnetic properties of CoFe2O4 particles. The magnetic nanoparticles were obtained by chemical coprecipitation in alkaline medium at increasing metal concentration in the range of 0.0425 mol·dm-3 to 0.17 mol·dm-3 and calcination...
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Helium-assisted, solvent-free electro-activation of 3D printed conductive carbon-polylactide electrodes
PublicationFused filament fabrication is one of the most rapidly developing 3D printing techniques, with numerous applications, including in the field of applied electrochemistry. Here, the utilisation of conductive carbon black polylactic acid (CB-PLA) for 3D printouts is the most promising. To use CB-PLA as an electrode material, an activation process must be performed, removing the polymer matrix and uncovering the electrically conductive...
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The Toolbox of Methods for Multidirectional Characterization of Dietary Nucleic Acids; Verification for Raw and Processed Food Products
PublicationCurrently, 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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Elastic scattering of electrons from chloroform
PublicationWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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Potentiometric Solid-Contact Multisensor System for Simultaneous Measurement of Several Ions
PublicationThe design and performance of potentiometric multisensor system made in solid-contact technology is described. Both, the measuring electrodes as well as the reference electrode are in a compact cell. The system allows for simultaneous measurement of various ions. The characteristics of the electrodes for Na+, K+ and Ca2+ ions were determined using the designed system and compared with ISEs of the same membrane composition in classical...
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Porous, High Capacity Coatings for Solid Phase Microextraction by Sputtering
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Assessment of Fuel Cells’ State of Health by Low-Frequency Noise Measurements
PublicationWe proposed applying low-frequency (flicker) noise in proton-exchange membrane fuel cells under selected loads to assess their state of health. The measurement set-up comprised a precise data acquisition board and was able to record the DC voltage and its random component at the output. The set-up estimated the voltage noise power spectral density at frequencies up to a few hundred mHz. We observed the evolution of the electrical...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Mixed algorithm in searches of mechanical system steady-state conditions for low precision of the state estimation
PublicationW pracy zaprezentowano algorytm poszukiwania rozwiązania układu równań nieliniowych. Nieliniowe funkcje lewych stron znane są z ograniczoną dokładnością, a wzory określające ich pochodne względem czasu nie są znane. Wartości pochodnych wyznaczane są numerycznie za pomocą różnic skończonych. Z uwagi na niską precyzje wyznaczania wartości funkcji, wartości pochodnych znane są jedynie z ograniczoną dokładnością., pochodne zawierają...
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Stabilization of Solid Residues Obtained During Sewage Sludge Thermal Treatment
PublicationCurrently wastewater treatment plants are still dealing with the problem of ecological management of sewage sludge. Nowadays, thermal utilization is considered the most eco-friendly way of processing excess sludge. However, during mentioned process, fractions of ashes and dusts are generated. Such wastes, especially dusts fraction, can be potentially harmful for the environment and wastes should be stabilized before further management....
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Natural radioactivity of solid and liquid phases from shale oil and gas prospection in Pomerania
PublicationIonizing radiation intensity data and estimation of equivalent absorbed dose from solid and liquid samples from prospection of shale gas and oil at selected sites in Pomerania are presented. Naturally occurring radioactive materials (NORM) are associated with geological formations or fluids and can be enhanced during oil and gas production. They appear in e.g. drilling cuttings, flow back water, produced water, scale and sludge....
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Substituent Effect in the First Excited Singlet State of Monosubstituted Benzenes
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Miniaturized solid phase extraction
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