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Search results for: QSAR STUDIES
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The issues of participation in didactics of design. Case studies
PublicationThis article seeks to present and assess the usefulness of didactic methods aimed at preparing future architects for their role in the process of social participation. The article focuses on [a] a general overview of selected participation methods and tools, along with the examples of their application in the context of spatial management in Poland; [b] an overview of teaching methods used with a view to enhancing participation...
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Application of LC-MS technique in environmental studies
PublicationW ciągu ostatnich 10-15 lat obserwuje się ciągły wzrost zainteresowania możliwościami, jakie stwarza technika LC-MS, w związku z czym dokonano przeglądu prac badawczych zrealizowanych na Wydziale Chemicznym PG związanych z użyciem tej techniki. Szczególną uwagę zyskały: kwasy fenoksyoctowe i chlorofenole, które są stosowane w rolnictwie i które mogą zanieczyszczać wody gruntowe; cjanotoksyny, które są emitowane podczas zakwitów...
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The long-term studies of osmotic membrane distillation
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Calcium electroporation for treatment of sarcoma in preclinical studies
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Adsorption and calorimetric studies of hydrothermally modified carbosils
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CRI board for CBM experiment: preliminary studies
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Design of Experiments in metabolomics-related studies: An overview
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Isolation and Self-Association Studies of Beta-Lactoglobulin
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In vitro toxicity studies of biodegradable, polyelectrolyte nanocapsules
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Raman microscopy in the studies of microphase-separated polyurethanes.
PublicationPorównano możliwości badawcze różnych odmian spektroskopowych do analizy po-limerów. Podano przykłądy wykorzystania połączonych technik mikroskopowych ispektroskopowych do badania polimerów wielofazowych. Na tej podstawie wyka-zano zasadność zastosowania po raz pierwszy mikroskopii Ramana w badaniachwielofazowych poliuretanów. Wykazano różnice składu chemicznego poszczegól-nych elementów mikromorfologii wielofazowych, segmentowych...
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Information management enhancement with simulation: case studies.
PublicationW rozdziale omówiono rolę symulacji w procesach zarządzania wiedzą i informacją, wskazując na jej znaczenie jako podstawowego narzędzia w tym obszarze.Przybliżono wybraną platformę symulacyjną opartą na systemie Visual SLAM.
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Surface studies of twinned of YBa2Cu3O7−δ crystals
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The structure of liquid lead: EXAFS and MD studies
PublicationPraca poświecona jest analizie widm XAFS zmierzonych na krawędzi L3dla ciekłego ołowiu. W analizie strukturalnej EXAFS zastosowano podejście GNXAS. Przetestowano kilka modeli strukturalnych, zarówno numerycznych (MD-DLE, MD-TB), jak i tych otrzymanych doświadczalnie (ND, XRD) i ostatecznie zrekonstruowano pierwszy pik w parowej funkcji rozkładu, g(r). Zweryfikowano wcześniejsze doniesienia o obserwownym za pomocą metody XAFS gwałtownym...
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Decoding soundscape stimuli and their impact on ASMR studies
PublicationThis paper focuses on extracting and understanding the acoustical features embedded in the soundscape used in ASMR (Autonomous Sensory Meridian Response) studies. To this aim, a dataset of the most common sound effects employed in ASMR studies is gathered, containing whispering stimuli but also sound effects such as tapping and scratching. Further, a comparative analytical survey is performed based on various acoustical features...
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Molecular dynamics studies of polyurethane nanocomposite hydrogels
PublicationPolyurethane PEO-based hydrogels have a broad range of biomedical applicability. They are attractive for drug-controlled delivery systems, surgical implants and wound healing dressings. In this study, a PEO based polyurethane hydrogels containing Cloisite R 30B, an organically modified clay mineral, was synthesized. Structure of nanocomposite hydrogels was determined using XRD technique. Its molecular dynamics was studied by means...
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Application of bioassays in studies on the impact of pharmaceuticals on the environment
PublicationDrug interactions are often desirable particularly in medicine, when treatment of a patient requires using a mixture of drugs in specific doses to produce the adequate therapeutic effect. Unfortunately, interactions between drugs in the environment are not as desirable, despite the fact that drugs are present in the environment at low concentration levels [1]. Pharmaceuticals are present in the environment in a mixture of compounds,...
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Applying case studies to teaching architectural investment
PublicationCase studies enable students to encounter practical issues during their education. Experiments conducted in class employing this method often feature simplified models of real-world situations. However, they still enable students to encounter actual problems, to which theoretical knowledge is applied. In architectural education, students carrying out semester projects usually rely on data provided by the teacher, without wondering...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublicationA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Application of reversed-phase thin layer chromatography and QSRR modelling for prediction of protein binding of selected β-blockers
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublicationTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Floodplain inundation Mapping using SAR Scattering Coefficient Thresholding and Observed Discharge Data
PublicationInundation area time series are important for wetlands monitoring and hydrological model validation. This study is conducted in Biebrza floodplain, which is a natural wetland with complex inundation generation processes. In order to map 2014-2018 series of inundation in the floodplain we test our automatic thresholding method on Sentinel 1 data. The threshold value is optimized using correlation of the inundation area with observed...
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Insightful studies of AuCu nanostructures deposited on Ti platform: Effect of rapid thermal annealing on photoelectrochemical activity supported by synchrotron radiation studies
PublicationIn this work, we present the influence of annealing atmospheres during rapid thermal annealing (40◦C/s) on nanostructured Ti platforms modified by 10 nm layer of AuCu alloy obtained via magnetron sputtering. The AuCu/Ti platform annealed under hydrogen atmosphere exhibits the best photoelectrochemical activity under visible light, i.e. 27 times higher photocurrent than for pure Ti dimpled platform, and the lowest reflectance with minimum...
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Predicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure–Property Relationship (QSPR) incorporating the influence of temperature on volatility
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Modeling of small molecule's affinity to phospholipids using IAM-HPLC and QSRR approach enhanced by similarity-based machine algorithms
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Studies on micellar aggregation of nonionic surfactants in imidazolium liquids
PublicationA number of imidazolium ionic liquids, with 2-8 carbon atoms in cation alkyl chains, and tetrafluoroborate, hexafluorophosphate, bis(trifluoromethylsulfony)imide and trifluoromethanesulfonate anions, were characterized for their ability to support micellar aggregation of nonionic surfactants in binary solutions.
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Preparation of DNA films for studies under vacuum conditions
PublicationExperiments were carried out to determine the optimum conditions required for the preparation of uniform films of supercoiled plasmid DNA to be used in irradiation experiments under high vacuum conditions. Investigations reveal that significant damage to the DNA molecules occurs due to the evacuation process when films were formed from DNA samples in ultra high purity water only. A variety of bases were tested for their possible...
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Application of short-time GNSS solution geodynamical studies
PublicationThe paper presents the results of research related to the application of GNSS solutions in short observational periods in geodynamical investigations. Authors used the 3-hour solution appointed from hour-long interval of about 30 chosen stations on mountainous terrains from over 100 which were worked out. The main aim was to check the correctness of such solutions by the comparison with the daily ones. Some outliers in East component...
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VUV irradiation studies of plasmid DNA in aqueous solution
PublicationInteractions of VUV light and DNA samples in aqueous solutions are reported. The damage induced by such radiation is quantified by monitoring both loss of supercoiled DNA and formation of single and double strand breaks using agarose gel electrophoresis. Irradiations were performed using synchrotron VUV photons of 130, 150, 170 and 190 nm. VUV irradiation experiments revealed enhanced damage upon irradiation with 170 nm photons...
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DFT studies of the refractive index of boron-doped diamond
PublicationThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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Application of the Optimum Dataset Method in Archeological Studies on Barrows
PublicationLight Detection and Ranging (LiDAR) became one of the technologies used in archaeological research. It allows for relatively easy detection of archaeological sites that have their own field form, e.g.: barrows, fortresses, tracts, ancient fields [1]. As a result of the scanning, the so-called point cloud is obtained, often consisting of millions of points. Such large measurement datasets are very time-consuming and labor-intensive...
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Electrochemical and acoustic emission studies of aluminum pitting corrosion
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Effluent dissolved organic nitrogen (DON) studies in Poland
PublicationW pracy przedstawiono wyniki badań prowadzonych w 8 komunalnych oczyszczalniach ścieków w Polsce północnej. Badania obejmowały pomiar stężeń różnych frakcji azotu organicznego po części mechanicznej oraz w odpływie z oczyszczalni, profile podłużne stężeń wewnątrz komór osadu czynnego, a także analizę czyników wpływających na stężenia rozpuszczonego azotu organicznego w odpływie z badanych oczyszczalni.
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Corrosion resistance studies of carbon-encapsulated iron nanoparticles
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Classification of submandibular salivary stones based on ultrastructural studies
PublicationIntroduction: Sialolithiasis remains a clinical problem with unclear etiopathogenesis, lack of prevention methods, and only surgical treatment. Materials and methods: An ultrastructure examination of submandibular sialoliths obtained from patients with chronic sialolithiasis was conducted using a scanning electron microscope and X-ray photoelectron...
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Theoretical studies of the pyranose ring under mechanical stress
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Recent Results from Studies of Electric Discharges in the Mesosphere
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Experimental studies of circuit breaker drives and mechanisms diagnostics
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Studies of the aromatic β-diketones as extractant of copper ions
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Electrochemical and acoustic emission studies of aluminium pitting corrosion
PublicationBadania metodą potencjokinetyczną i emisjii akustycznej przeprowadzono w typowej trójelektrodowej celce elektrochemicznej. Elektrodę badaną przygotowano z stopu aluminium 1050A. Badania metodą cyklicznej polaryzacji i emisjii akustycznej wykonywano jednocześnie. Na podstawie wyników akustycznych i polaryzacyjnych wyznaczono potencjał korozji wzerowej.
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Problem of aggregation in dye-DNA interaction, calorimetry studies
PublicationNucleic acids are the biological target for many antimicrobial, antitumor and antiviral drugs. Ligand-DNA interactions can be classified into two major categories: 1. covalent binding, which can provide to intermolecular adducts, 2. physico-chemical interactions, which can be divided into intercalation (e.g. adriamycin) or groove binding (e.g. dystamycin). There are several methods to investigate interactions between drug and DNA....
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Alanine Scanning Studies of the Antimicrobial Peptide Aurein 1.2
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Photophysical and theoretical studies of diphenylacetylene derivatives with restricted rotation
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Optical absorption studies of (Ga0.1In0.9)2Se3 thin film
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Optical absorption studies of (Ga0.1In0.9)2Se3 thin film
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TG and DSC studies of bone tissue: Effects of osteoporosis
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Arbutin: Isolation, X-ray structure and computional studies
PublicationArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
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Studies on Function of P-Glycoprotein in Photodynamic Therapy of Endometriosis
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In situ thermo-optical studies of polymer:fullerene blend films
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Dielectric and Optical Studies of FLC Sample with Helix Inversion
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Potential applications of plant in vitro cultures in phytoremediation studies
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