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Search results for: QSAR STUDIES
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Polarimetric studies of L-arginine-doped potassium dihydrogen phosphate single crystals
PublicationConoscopic interference patterns, channelled spectra and polarimetric techniques have been used for the characterization of pure and doped (with L-arginine amino acid) potassium dihydrogen phosphate (KDP) single crystals. Experimental polarimetric data have been obtained for the frequently used wavelength of 633 nm and for two close wavelengths of 532 and 543 nm in a high-accuracy dual-wavelength polarimeter. The measurement of...
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Comparing the permeability of human and porcine small intestinal mucus for particle transport studies
PublicationThe gastrointestinal mucus layer represents the last barrier between ingested food or orally administered pharmaceuticals and the mucosal epithelium. This complex gel structure plays an important role in the process of small intestinal absorption. It provides protection against hazardous particles such as bacteria but allows the passage of nutrients and drug molecules towards the intestinal epithelium. In scientific research, mucus...
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Ultrastructural analysis of the submandibular sialoliths: Raman spectroscopy and electron back-scatter studies
PublicationThe aim of work was the epidemiological analysis of the occurrence of sialolithiasis of the submandibular gland in adults and the evaluation of the ultrastructure of salivary stones. The study sample consisted of 44 sialoliths. Analysis of the structure and chemical composition of sialoliths was performed using a Scanning Electron Microscope and Raman Spectroscopy. Comparing our results with the literature we can say that the epidemiology...
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Recent Applications of 1D GC-MS and 2D GC-MS in Foodomics Studies
PublicationGas chromatography coupled with mass spectrometry and food chemistry have been tightly linked since the 1960s. This setup is also an integral part of the omics studies when it comes to low mass metabolites. Therefore, the marriage of GC-MS and foodomics is obvious. Two-dimensional gas chromatography coupled with mass spectrometry fits perfectly within the latest trends in foodomics, since it is tailored for holistic food analysis....
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Effect of Ethanol Extracts of Propolis (EEPs) against Staphylococcal Biofilm—Microscopic Studies
PublicationStaphylococci growing in the form of biofilm exhibit high resistance to a plethora of antibiotics. The aim of the study was to assess the influence of ethanolic extract of propolis (EEPs) on S. epidermidis ATCC 35984 biofilm using fluorescent microscopy. Propidium iodide (PI) and SYTO 9 were used for differentiation of live and dead cells, and calcofluor white was used to stain the extracellular matrix, the self-produced extracellular...
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Comparative Analysis of Numerical and Experimental Studies of the Airflow Around the Sample of Urban Development
PublicationIn this paper, on the background of a short overview of the recent advances in the field of Environmental Wind Engineering (EWE), a comparison of wind tunnel experiment and numerical simulation for some cases of airflow around an urban layout have been reported. The purpose of the study is quantitative and qualitative comparison of measurements in the wind tunnel as well as numerical simulation using Ansys Fluent software. The...
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Galvanostatic impedance measurements for the efficient adsorption isotherm construction in corrosion inhibitor studies
PublicationWe present an approach towards an accurate and time-efficient adsorption isotherm determination to evaluate the corrosion inhibitor interaction in electrolytic environments. The approach is based on dynamic impedance spectroscopy measurements in galvanostatic mode (g-DEIS). The studied corrosion inhibitor is continuously injected between the secondary cell and the corrosion cell. The efficiency corresponding to instantaneous inhibitor...
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Polish DGPS System: 1995-2018 – Studies of Reference Station Operating Zones
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FE-studies on shear localization in an anisotropic micro-polar hypoplastic granular material
PublicationW artykule przedstawiono wyniki numerycznej wpływu anizotropii w materiałach granulowanych na powstawanie lokalizacji odkształceń. Obliczenia wykonano dla ściskania dwuosiowego stosując metodę elementów skończonych na bazie mikropolarnego prawa hipoplastycznego.
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FE-studies on formation of shear zones in granular bodies within a polar hypoplascity.
PublicationPrzedstawiono wyniki numerycznej symulacji lokalizacji odkształceń stycznych w materiałach granulowanych dla 3 różnych problemów brzegowych. Zachowanie materiału granulowanego było modelowane mikropolarnym hipoplastycznym prawem materiałowym. Obliczenia wykonano dla problemu parcia i odporu oraz ścinania
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Denaturation of proteins by surfactants studied by the Taylor dispersion analysis
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Electronic states of tetrahydrofuran molecules studied by electron collisions
PublicationElectronic states of tetrahydrofuran molecules were studied in the excitation energy range 5.5-10 eV using the technique of electron energy loss spectroscopy in the gas phase. Excitation from the two conformations, C2 and Cs, of the ground state of the molecule are observed in the measured energy loss spectra. The vertical excitation energies of the 3(no3s) triplet state from the C2 and Cs conformations of the ground state of the...
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Multiphase separated polyurethanes studied by micro Raman spectroscopy.
PublicationPrzedmiotem badań były poliuretany o zawartości 30% segmentów sztywnych,charakteryzujące się obecnością globul i sferolitów. Badania za pomocą mikro Ramana wykazały różny skład chemiczny w wymienionych mikroobszarach. W globulach stwierdzono zanik obecności segmentów giętkich lub ich bardzo znikomą ilość w porównaniu z matrycą i sferolitami.
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In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublicationIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....
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Application of chemometric techniques in studies of toxicity of selected commercially available products for infants and children
PublicationThe goal of the present study is to assess the impact of the experimental conditions for extraction procedures (time of extraction, thermal treatment and type of extraction media) as applied to several baby and infant products checked for their possible ecotoxicological response when tested by various ecotoxicity tests(Microtox®, Ostracodtoxkit F™and Xenoscreen YES/YAS™). The systems under consideration are multidimensional by...
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Naphthyl-vs. anthrylpyridine-2,6-dicarboxamides in cation binding studies. Synthesis and spectroscopic properties
PublicationPyridine-2,6-carboxamides bearing - or -naphthyl- and - or -anthryl- residues were prepared using simple method from pyridine-2,6-carboxylic acid dichloride and the respective aromatic amines. For the obtained receptors selective binding of lead(II), and copper(II) was found. Ion-receptor interactions were studied using UV-vis spectroscopy, spectrofluorimetry, 1H NMR, and FTIR spectroscopy. The reversible lead(II) and copper(II)...
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Selected aspects of two-phase flow studies using different visualization techniques in minichannels
PublicationThe subject of the study is to present the possibility of the use of visualization techniques in the researches on two-phase flows, carried out by the authors for many years. These works included as follows: heat transfer during the flow boiling, boiling crises and condensation in flow. The issue of the heat transfer intensification during the flow boiling through the channels of small diameters was analyzed. All this work focused...
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Numerical Simulations and Tracer Studies as a Tool to Support Water Circulation Modeling in Breeding Reservoirs
PublicationThe article presents a proposal of a method for computer-aided design and analysis of breeding reservoirs in zoos and aquariums. The method applied involves the use of computer simulations of water circulation in breeding pools. A mathematical model of a pool was developed, and a tracer study was carried out. A simplified model of two-dimensional flow in the form of a biharmonic equation for the stream function (converted into...
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Rigid polyurethane foams modified with ground tire rubber - mechanical, morphological and thermal studies
PublicationRigid polyurethane foams, prepared by a single step method, were modified with the two types of ground tire rubber particles, i.e. untreated and thermo-mechanically reclaimed by using a co-rotating twin screw extruder. The foaming process as well as the structure and the physical, mechanical and thermal properties of the resulting foams were investigated. The presence of ground tire rubber decreased the velocity of polymerization....
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Thermophysical Properties of the Phase Change Material Mixtures – Preliminary Studies on Macromolecular Hydrocarbons Example.
PublicationThe aim of this work is a theoretical and experimental analysis of the macromolecular hydrocarbons mixtures composition and the impact on thermophysical parameters of the phase change materials (PCM) made from these mixtures. The analysis of the current state of knowledge extended by the author's own studies have been presented. Thermophysical characteristics of the hydrocarbons and their mixtures have been specified, in such a...
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Experience based knowledge representation for Internet of Things and Cyber Physical Systems with case studies
PublicationCyber Physical Systems and Internet of Things have grown significant attention from industry and academia during the past decade. The main reason behind this interest is the capabilities of such technologies to revolutionize human life since they appear as seamlessly integrating classical networks, networked objects and people to create more efficient environments. However, enhancing these technologies with intelligent skills becomes...
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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Forced Degradation Studies of Ivabradine and In Silico Toxicology Predictions for Its New Designated Impurities
PublicationAll activities should aim to eliminate genotoxic impurities and/or protect the API against degradation. There is a necessity to monitor impurities from all classification groups, hence ivabradine forced degradation studies were performed. Ivabradine was proved to be quite durable active substance, but still new and with insufficient stability data. Increased temperature, acid, base, oxidation reagents and light were found to cause...
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Bioactive silica-based drug delivery systems containing doxorubicin hydrochloride: In vitro studies
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A Critical Appraisal of Dimolybdenum Tetraacetate Application in Stereochemical Studies of vic-Diols by Circular Dichroism
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Thermoluminescence and optically stimulated luminescence studies on LiMgPO4 crystallized by micro pulling down technique
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TG-FTIR, DSC and quantum chemical studies of the thermal decomposition of quaternary methylammonium halides
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Changes in the Secretion of Melatonin and Selected Adipokines during the Progression of Parkinson’s Disease—Preliminary Studies
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Antimicrobial photodynamic therapy with fulleropyrrolidine: photoinactivation mechanism of Staphylococcus aureus, in vitro and in vivo studies
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Studies of kicking of three targets – does sex differentiate the velocity of the taekwondo front kick?
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Preliminary studies on DNA retardation by MutS applied to the detection of point mutations in clinical samples
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Polymer membranes loaded with lipids for taste sensing: electrochemical impedance spedance spectroscopy studies
PublicationZcharakteryzowano metodą impedancyjnej spektroskopii elektrochemicznej membrany polichlorku winilu z lipidami zanurzone w roztworze kwasu cytrynowego. Badano membrany elektrod dodatnio naładowanych (heksadecyloamina, chlorek, benzyloheksadecylodimetyloamoniowy) i ujemne naładowanych (kwas elaidynowy, cholesterol, l-dodekonol). Badania impedacyjne pozwoliły na rozróznienie czterech stałych czasowych: rezystancja wysokiej częstotliwości,...
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Application of different sampling procedures in studies of composition of various types of runoff waters - a review
PublicationInformacje o metodyce pobierania próbek i położeniu stanowiska obserwacyjnego warunkują prawidłowy wynik analizy i możliwość porównania go z innymi danymi. W publikacji omówiono różne typy próbników stosowanych do pobierania próbek wód spływnych dostających się do środowiska w wyniku zmywania przez opady atmosferyczne zanieczyszczeń z takich powierzchni jak: arterie komunikacyjne, dachy budynków, obszary rolnicze i leśne oraz hałdy...
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The bioactivity of processed garlic (Allium sativum L.) as shown in vitro and in vivo studies on rats
PublicationCzosnek w trakcie procesu obróbki traci znaczną część swojej bioaktywności. Właściwości przeciwutleniające zmierzone metodą FRAP i DPPH stwierdzono na najwyższym poziomie w przypadku czosnku surowego oraz po krótkim okresie gotowania. Badania na szczurach poddanych diecie z dodatkiem krótkogotowanego czosnku potwierdziły, że proces ten nie zaburza właściwości przeciwutleniających surowego czosnku. U zwierząt stwierdzono poprawę...
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ADSRRS-fingerprinting and PCR MP techniques for studies of intraspecies genetic relatedness in Staphylococcus aureus
PublicationW pracy pokazano użyteczność dwóch nowych metod do typowania molekularnego Staphylococcus aureus, ADSRRS-fingerprinting (Amplification of DNA fragments Surrounding Rare Restriction Sites) i PCR MP (PCR melting profile). Przebadano 37 szczepów Staphylococcus aureus izolowanych od pacjentów z czyracznością. Jako metodę referencyjną zastosowano REA-PFGE. Okazało się, że izolaty Staphylococcus aureus z nosa od niektórych pacjentów...
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Complexation studies of 3-substituted β-diketones with selected d- and f-metal ions
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Lobularia libyca: Phytochemical Profiling, Antioxidant and Antimicrobial Activity Using In Vitro and In Silico Studies
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Studies of oil-in-water emulsion stability in the presence of new dicephalic saccharide-derived surfactants
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Plants of the Genus Terminalia: An Insight on Its Biological Potentials, Pre-Clinical and Clinical Studies
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Nitrogen speciation in wastewater treatment plant influents and effluents - the US and Polish case studies
PublicationW pracy przedstawiono wyniki pomiarów różnych frakcji azotu w dopływachi odpływach z trzech konwencjonalnych oczyszczalni ścieków w stanie Illinois (USA) i czterech wysokoefektywnych oczyszczalni w północnej Polsce. Azot organiczny rozpuszczony był dominującą frakcją (56-95%) azotu ogólnego w odpływach z oczyszczalni amerykańskich, podczas gdy w odpływach z oczyszczalni polskich stanowił mniej istotną frakcję (19-62%). W jednym...
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Toward better understanding of phosphoryl transfer reaction: the use of phosphoroorganic biocides in research studies
PublicationZamierzeniem autora było nakreślenie potencjalnych kierunków rozwoju badań z wykorzystaniem biocydów fosforoorganicznych (BFO) i związanej z nimi reakcji przeniesienia grupy fosforylowej (reakcja FT). Projektowane są nowe, wysoce selektywne inhibitory enzymów, które w pełni wyjaśniają rolę enzymów w warunkach normalnego funkcjonowania i w procesach patologicznych. Pozwoli to w konsekwencji na wyselekcjonowanie nowych terapeutyków...
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Nitrogen speciation in wastewater treatment plant influents and effluents - the US and Polish case studies
PublicationW pracy badano stężenia rozpuszczonego węgla organicznego i rozpuszczonego azotu organicznego. W badanych oczyszczalniach amerykańskich ta forma azotu stanowiła 56-95% azotu organicznego, podczas gdy w polskich oczyszczalniach udział ten był znacznie niższy i wynosił 19-62%.
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Application of Bayesian Multilevel Modeling in the Quantitative Structure–Retention Relationship Studies of Heterogeneous Compounds
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Conformational studies of vasopressin analogues modified with N-methylphenylalanine enantiomers in dimethyl sulfoxide solution
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Conformational Preferences of Proline Derivatives Incorporated into Vasopressin Analogues: NMR and Molecular Modelling Studies
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Editorial: Applied intelligence and knowledge based systems: approaches and case studies - part 2
PublicationWydanie Cybernetics and Systems poswiecone zagadnieniom zarzadzania wiedza.
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Preparation of DNA films for studies under vacuum conditions. The influence of cations in buffer solutions
PublicationBadania zostały przeprowadzone w celu określenia optymalnych warunków wymaganych do przygotowania jednolitych filmów superskręconego plazmidowego DNA do wykorzystania w doświadczeniach napromieniowania w warunkach wysokiej próżni. Badania pokazują, że znaczne szkody w DNA powstają w wyniku odpompowywania filmów DNA z roztworów zawierających jedynie czysta wodę.
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Ab initio and experimental studies of polarization and polarization related fields in nitrides and nitride structures
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Photoacoustic and optical absorption spectroscopy studies of luminescentCr3+andCr4+centers in yttrium aluminum garnet
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