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Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
PublikacjaThe hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...
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Chemical Composition of Atmospheric Air in Nemoral Scots Pine Forests and Submountainous Beech Forests: The Potential Region for the Introduction of Forest Therapy
PublikacjaStudies show that forests are one of the main recreational destinations. This can be explained by their beneficial effects on the health of their visitors, which can be attributed to compounds from the terpene group. The aim of this research was to determine the chemical composition of air in the interiors of Nemoral Scots pine forests and submountainous beech forests, with the determination of compounds of the terpene group. Samples...
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Troubleshooting of the determination of bisphenol A at ultra-trace levels by liquid chromatography and tandem mass spectrometry
PublikacjaDetermination of trace amounts of bisphenol A (BPA) may cause problems mainly related to the presence of BPA in solvents (even in LC-MS grade), laboratory vessels, and plastic equipment used for sample preparation. Variable and sometimes significant amounts of BPA present in the background cause problems in obtaining good repeatability of measurements at the ultra-trace levels. Such observations (i.e., poor repeatability of results)...
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Generalized regression neural network and fitness dependent optimization: Application to energy harvesting of centralized TEG systems
PublikacjaThe thermoelectric generator (TEG) system has attracted extensive attention because of its applications in centralized solar heat utilization and recoverable heat energy. The operating efficiency of the TEG system is highly affected by operating conditions. In a series-parallel structure, due to diverse temperature differences, the TEG modules show non-linear performance. Due to the non-uniform temperature distribution (NUTD) condition,...
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New Procedures for Control of Industrial Effluents Treatment Processes
PublikacjaThis work presents the procedures for monitoring volatile organic compounds during treatment of industrial effluents. The investigation was carried out for a specific effluent—caustic effluent from bitumen production. The developed procedures enable more detailed control of the effectiveness of wastewater treatment than standard procedures. Caustic effluents from bitumen production have a complex physicochemical form and consist...
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Influence of Thermal Decomposition of Wood and Wood-Based Materials on the State of the Atmospheric Air. Emissions of Toxic Compounds and Greenhouse Gases
PublikacjaThis paper presents the energy characteristics of wood and wood-based materials in the form of commercially available pellets, furniture board (MDF) and OSB. Toxicometric indices were determined for gaseous destructs arising from thermal decomposition and combustion of the materials studied. The paper proves that combustion conditions are crucial in terms of toxic destructive emissions. It has been shown that the combustion of...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Chassis Dynamometer Testing of Ammonia Emissions from Light-Duty SI Vehicles in the Context of Emissions of Reactive Nitrogen Compounds
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Investigation of edible oils oxidation stability using photooxidation and SPME/GC method for determination of volatile compounds - preliminary investigation
PublikacjaOdporność olejów roślinnych na oksydatywną degradację prowadzącą do zjełczenia jest istotnym parametrem w ocenie jakości olejów. Artykuł przedstawia nową obiecującą metodę analizy lotnych produktów reakcji utleniania olejów. Jako czynnik przyspieszający proces utleniania olejów zastosowano promieniowanie ultrafioletowe. Badania zostały przeprowadzone przy zastosowaniu mikroekstrakcji do fazy stacjonarnej połaczonej z kapilarną...
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Inhibiting Activity of HIV-1: Protease, Reverse Transcriptase and Integrase All Together by Novel Compounds Using Computational Approaches
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Copper(I) π-coordination compounds with allyl derivatives of disubstituted pseudothiohydantoin: synthesis, structure investigation and nonlinear optical features
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The Application of Lamiaceae Lindl. Promotes Aroma Compounds Formation, Sensory Properties, and Antioxidant Activity of Oat and Buckwheat-Based Cookies
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Effects of plant extract antioxidative phenolic compounds on energetic status and viability of Saccharomyces cerevisiae cells undergoing oxidative stress
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Strategies to improve the nutritional value of meat products: incorporation of bioactive compounds, reduction or elimination of harmful components and alternative technologies
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APPLICABILITY OF PLUMS GROWN IN POLAND TO DRYING PROCESS IN TERMS OF CHANGES IN BIOACTIVE COMPOUNDS AND OF MAILLARD REACTION PRODUCTS BEING FORMED
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
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Quantitative assessment
PublikacjaThe main trends in the development of analytical chemistry are the determination of increasingly lower concentrations of analytes in samples with complex matrix composition (trace analysis). While the obtained analytical results must be reliable, which means that they must accurately (truly and precisely) reflect the actual content of analytes in a representative sample of the material object under study. However, it is an extremely...
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Efficiency limit of excitonic photovoltaic cells under phosphor-based white LED illumination
PublikacjaThe limit of energy conversion of excitonic photovoltaic cells working under white light illumination generated by phosphor-based LED is analysed using the modified Giebink approach. Particularly, the impact of the optical energy gap and energy loss associated with the excitons dissociation at the heterojunction interface on power conversion efficiency of the device are discussed. From the results of our study it follows that the...
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublikacjaThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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TiO2 Modified with Organic Acids for the Decomposition of Chlorfenvinphos under the Influence of Visible Light: Activity, Performance, Adsorption, and Kinetics
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Small signal spectra of complex capacitance obtained on organic heterojunction formed from copper phthalocyanine and perylene dye
PublikacjaPraca przedstawia małosygnałowe widma zespolonej pojemności otrzymane na strukturze z heterozłączem organicznym CuPc/Py-PTC w zakresie 25Hz-1MHz.
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Decolorization of organic dyes solution by atmospheric pressure glow discharge system working in a liquid flow-through mode
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Response to abiotic and organic substances stimulation belongs to ontologic groups significantly up-regulated in porcine immature oocytes
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Investigation on structural, optical and anti-bacterial properties of organic additives iron oxide prepared by chemical route method
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Large-scale converting waste coffee grounds into functional carbon materials as high-efficient adsorbent for organic dyes
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Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
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A field study investigating the potential use of phosphorus combined with organic amendments on cadmium accumulation by wheat and subsequent rice
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Porewater dissolved organic and inorganic carbon in relation to methane occurrence in sediments of the Gdańsk Basin (southern Baltic Sea)
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Modelowanie procesów migracji zanieczyszczeń organicznych w środowisku wodnym = Modelling of migration of organic xenobiotics in aquatic environment
PublikacjaPrzedstawiono zagadnienia związane z modelowaniem migracji związków chemicznych w środowisku. Zamieszczono także sposób konstruowania modeli i przegląd najważniejszych typów modeli migracji wraz z przykładami oraz wyniki, jakie można uzyskać za pomocą poszczególnych grup modeli. W pracy zawarto również podział modeli migracji ze względu na sposób przedstawienia transportu zanieczyszczeń, poziom kompilacji i zakres obszaru modelowania....
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Determination of fluoride as fluorosilane derivative using reversed-phase HPLC with UV detection for determination of total organic fluorine
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Fluctuation in the organic matter decomposition rate and nitrogen speciation in vegetation and outside vegetation seasons in a hybrid wetland system.
PublikacjaIlość ścieków doprowadzana do obiektu była mniejsza, a stężenia zanieczyszczeń wyższe w okresie poza wegetacyjnym. Obniżona skuteczność przemian związków azotu w okresie poza wegetacyjnym została potwierdzona przez niższe wartości stałych szybkości reakcji, które wynosiły 60% wartości osiąganych dla okresu wegetacyjnego.
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Microbiological, Antioxidant, Nutritional Properties, and Health Safety of Juice from Organic and Conventional Vitis vinifera L. Farming
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Electrical and noise responses of carbon nanotube networks enhanced by UV light for detection of organic gases (ethanol, acetone)
Dane BadawczeCarbon nanotube networks of different optical transparencies were investigated via resistance and 1/f noise measurements for detection of ethanol and acetone. The sensor resistive and noise responses were collected for dark and UV-assisted conditions, revealing the improvement in sensor sensitivity and limit of detection after applying UV light (275...
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INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY
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MINI-REVIEWS IN ORGANIC CHEMISTRY
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ORGANIC PROCESS RESEARCH & DEVELOPMENT
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ORGANIC PREPARATIONS AND PROCEDURES INTERNATIONAL
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Microwave plasma treatment of simulated biomass syngas: Interactions between the permanent syngas compounds and their influence on the model tar compound conversion
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Cold atmospheric pressure plasmas as versatile tools for effective degradation of a mixture of hazardous and endocrine disturbing compounds from liquid wastes
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Bioactive Compounds in Aegopodium podagraria Leaf Extracts and Their Effects against Fluoride-Modulated Oxidative Stress in the THP-1 Cell Line
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The New Elastomeric Compounds Made of Butyl Rubber Filled with Phyllosilicates, Characterized by Increased Barrier Properties and Hydrophobicity and Reduced Chemical Degradation
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Identification and Bioaccessibility of Maillard Reaction Products and Phenolic Compounds in Buckwheat Biscuits Formulated from Flour Fermented by Rhizopus oligosporus 2710
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Thermal decomposition of surface compounds for the generation of small quantities of acetaldehyde. Calibration of a thermal desorption gas chromatography flame ionization detection.
PublikacjaW pracy opisano sposób wytwarzania niewielkich ilości acetaldehydu w procesie termicznego rozkładu związku powierzchniowego uzyskanego w wyniku chemicznej modyfikacji żelu krzemionkowego.Proces rozkładu prowadzony jest w temperaturze 130-190 stopni Celsjusza.Przedstawiono również sposób syntezy prowadzący do uzyskania odpowiedniego związku powierzchniowego.
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Bioactive quaternary ammonium ionic liquids.
PublikacjaAn ionic liquid (IL) is an organic compound that contains at least one ionic bond. It consists of an organic cation and an organic or inorganic anion. It is an organic salt having a melting point below 100C. A very interesting group of IL are those with a long chain quaternary ammonium cation. They are formed by direct synthesis or by an anion-exchange reaction in quaternary ammonium halides. Popular and cheap precursors for the...
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Manganese(III) Promoted Cyclization of N-alkenyl-N-(2-hydroxyethyl) amides to Iso-Oxacepham Potent β-Lactamase Inhibitors
PublikacjaBackground: β-Lactams are still a subject of interest of organic chemists. The main reason for this interest is due to their application as a chemotherapeutic. β-Lactam antibiotics are still the most commonly used drugs in bacterial infections. Method: Methods using 4-exo-trig radical cyclization leading to β-lactams are an alternative to classical Staudinger`s β-Lactams formation. We prepared N-alkenyl-N-(2-hydroxyethyl)amides...
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Adaptation of the arbitrary Lagrange–Euler approach to fluid–solid interaction on an example of high velocity flow over thin platelet
PublikacjaThe aim of this study is to analyse the behaviour of a thin plate with air flow velocities of 0.3–0.9 Ma. Data from the experiment and numerical tools were used for the analysis. For fluid–solid interaction calculations, the arbitrary Lagrange–Euler approach was used. The results of the measurements are twofold. The first one is the measurement of the flow before and after vibrating plate, i.e. pure flow plate, and the second consists...
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Study of the ability of TXT-compounds to promote telomeric G4 DNA thermal stabilization using FRET melting assay
Dane BadawczeThe data set contains a DNA melting screen obtained from the FRET melting assay. Thermal stabilities of G-quadruplex structures were analysed in the presence and in absence of ligands. TMPyP4 and MTX were used as references. Measurements were carried out in triplicate using a LightCycler 480 thermocycler (Roche Life Science) with a filter setting of...
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Effective method of treatment of industrial effluents under basic pH conditions using acoustic cavitation – a comprehensive comparison with hydrodynamic cavitation processes
PublikacjaThe use of acoustic cavitation in advanced oxidation processes (AOPs) is a promising trend in research for treatment of industrial effluents. The paper presents the results of investigations on the use of acoustic cavitation aided by additional oxidation processes (ozonation/H2O2 oxidation/Peroxone/UV-C) for the treatment of effluents from the production of bitumens. Under these conditions, the total contaminant load, expressed...
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Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols
PublikacjaX-ray crystallographic analysis of the title compounds revealed that they assume a folded helical con- formation of an approximate C2 symmetry in the solid state. Dithioamide, diselenoamide and monoselenoamide were resolved to enantiomers by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes was assigned as P. The optical activity of the resolved compounds...
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A correlation between electron-hole pair radii and magnetomodulation of exciplex fluorescence in electron donor-electron acceptor organic systems
PublikacjaElectric field dependencies of electromodulated photoluminescence and magnitudes of the magnetic-field effect on photoluminescence havebeen measured in vacuum-evaporated films of m-MTDATA [4,4',4"-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine]:bathophe-nanthroline, m-MTDATA:BCP (bathocuproine), as well as 4,4',4"-tris[2-naphthyl(phenyl)amino]triphenylamine:BCP. The Sano-Tachiya-Noolandi-Hong extension of standard Onsager...