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Search results for: QSAR STUDIES
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QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid Analogues
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Spectral density distribution moments as novel descriptors for QSAR/QSPR
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Activity evaluation of some psychoactive drugs with the application of QSAR/QSPR modeling methods
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Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives
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Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
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The study of salting-out thin-layer chromatography and their application on QSRR/QSAR of some macrolide antibiotics
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Synthesis, Molecular Structure, Metabolic Stability and QSAR Studies of a Novel Series of Anticancer N-Acylbenzenesulfonamides
PublicationA series of novel N-acyl-4-chloro-5-methyl-2-(R1-methylthio)benzenesulfonamides 18–47 have been synthesized by the reaction of N-[4-chloro-5-methyl-2-(R1-methylthio) benzenesulfonyl]cyanamide potassium salts with appropriate carboxylic acids. Some of them showed anticancer activity toward the human cancer cell lines MCF-7, HCT-116 and HeLa, with the growth percentages (GPs) in the range from 7% to 46%. Quantitative structure-activity relationship...
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QSAR Analysis of Compounds Exhibiting General Anesthetics’ Properties
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Novel 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives as potent anticancer agents – Synthesis, molecular structure, QSAR studies and metabolic stability
PublicationA series of new 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives have been synthesized and evaluated in vitro by MTT assays for their antiproliferative activity against cell lines of colon cancer HCT-116, cervical cancer HeLa and breast cancer MCF-7. The obtained results indicated that these compounds display prominent cytotoxic effect. The best anticancer properties have been observed for derivatives...
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Synthesis and SAR Studies of Antibacterial Peptidyl Derivatives Based upon the Binding Site of Human Cystatin C
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Biological Activity of Compounds Exhibiting Local Anesthetics's Properties Evaluated by QSAR Approach
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QSAR Analysis of Selected Antimicrobial Structures Belonging to Nitro-derivatives of Heterocyclic Compounds
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SCRAMBLE’N’GAMBLE: a tool for fast and facile generation of random data for statistical evaluation of QSAR models
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Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)
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Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
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Toward Nano‐Specific In Silico NAMs: How to Adjust Nano‐QSAR to the Recent Advancements of Nanotoxicology?
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Application of multivariate mathematical-statistical methods to compare reversed-phase thin-layer and liquid chromatographic behaviour of tetrazolium salts in Quantitative Structure-Retention Relationships (QSRR) studies
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Local chirality measures in QSPR : IR and VCD spectroscopy
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The Acid Strength of the Lewis‐Brønsted Superacids – A QSPR Study
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QSPR analysis of some agonists and antagonists of α-adrenergic receptors
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QSRR Evaluation of the New Anticancer Sulfonamides in View of the cis-trans Isomerism
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Towards modelling of the environmental fate of pharmaceuticals using the QSPR-MM scheme
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Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublicationA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
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Review of Segmentation Methods for Coastline Detection in SAR Images
PublicationSynthetic aperture radar (SAR) images acquired by airborne sensors or remote sensing satellites contain the necessary information that can be used to investigate various objects of interest on the surface of the Earth, including coastlines. The coastal zone is of great economic importance and is also very densely populated. The intensive and increasing use of coasts and changes of coastlines motivate researchers to try to assess...
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Object-oriented approach to oil spill detection using ENVISAT ASAR images
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Badania przyczyn uszkodzenia wału śrubowego jednostki ''Pasat'' (SAR)
PublicationWykonano badania przyczyn wystąpienia korozji na wale śrubowym jednostki typu SAR. Opisano mechanizm zjawiska i zaproponowano środki zaradcze.
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Studies of Silicon Podand Solvents
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Raman studies of ferroelectric ceramics.
PublicationPrzedstawiono potencjał aplikacyjny spektroskopii Ramana w diagnostyce procesu technologicznego wytwarzania cienkowarstwowych struktur perowskitowych o strukturze Ba(Ti1 xZrx)O3, posiadających możliwość strojenia przenikalności elektrycznej za pomocą pola elektrycznego. Skonfigurowano systemy pomiarowe do badania zarówno próbek objętościowych, jak i struktur cienkowarstwowych. Zidentyfikowano najistotniejsze linie w widmach ramanowskich,...
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Immittance Studies of Bi6Fe2Ti3O18 Ceramics
PublicationResults of studies focusing on the electric behavior of Bi6Fe2Ti3O18 (BFTO) ceramics are reported. BFTO ceramics were fabricated by solid state reaction methods. The simple oxides Bi2O3, TiO2, and Fe2O3 were used as starting materials. Immittance spectroscopy was chosen as a method to characterize electric and dielectric properties of polycrystalline ceramics. The experimental data were measured in the frequency range D = (101–107)...
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Coastal zone monitoring using Sentinel-1 SAR polarymetry data
PublicationIn recent years the role of the surveillance and security of Polish boundaries has significantly increased. Polish coastal zone monitoring requires various approaches using various technological means in order to ensure the protection of Polish boundaries. In this paper, the authors discuss and present alternatives to underwater surveillance methods of coastal area analysis and monitoring using data retrieved from the newly developed...
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Classification of Sea Going Vessels Properties Using SAR Satellite Images
PublicationThe aim of the project was to analyze the possibility of using machine learning and computer vision to identify (indicate the location) of all sea-going vessels located in the selected area of the open sea and to classify the main attributes of the vessel. The key elements of the project were to download data from the Sentinel-1 satellite [1], download data on the sea vessels [2], then automatically tag data and develop a detection...
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Popularność kierunków studiów i uczelni podczas rekrutacji na studia wyższe w Polsce
PublicationStreszczenie. W artykule podjęto próbę scharakteryzowania procesu rekrutacyjnego na studia i jego wpływu na liczbę studentów w poszczególnych grupach kierunków studiów oraz szkołach wyższych. Z informacji przekazywanych przez Ministerstwo Nauki i Szkolnictwa Wyższego (MNiSW) wynika, że od kilku lat utrzymuje się względnie stała tendencja odnośnie do rekrutacji na studia wyższe. Najpopularniejszym kierunkiem studiów jest informatyka,...
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The CFD modeling in bioreactor tracer studies
PublicationW artykule zaprezentowano badania traserowe w bioreaktorach z osadem czynnym. Przedstawiono efekty działania procesu dyspersji na podstawie obliczonych podłużnych profili koncentracji znacznika w komorach osadu czynnego zlokalizowanych na Oczyszczalni Ścieków "Wschód" w Gdańsku. W ramach badań wykonano symulację przepływu substancji nieaktywnej (bazując na pomierzonych profilach stężenia znacznika) stosując jednowymiarowe równanie...
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Advances in passive sampling in environmental studies
PublicationDozymetria pasywna stanowi użyteczne narzędzie wykorzystywane w monitoringu środowiskowym. W pracy zostały zawarte nowe rozwiązania i udoskonalenia istniejących próbników pasywnych oraz praktyczne ich wykorzystanie w monitoringu środowiskowym.
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Studies on the Preparation and Characterisation of Carbon Nanostructures
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Model studies on then-alkane emulsions stability
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Molecular Dynamics Studies on Amyloidogenic Proteins
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Molecular Dynamics Studies on Amyloidogenic Proteins
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Experimental studies and modelling of the fluidization of sands
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Faculty of studies managment and engineering of production
PublicationW pracy przedstawiono założenia programowe dla kierunku studiów pierwszego stopnia (inżynierskie) Zarządzanie i Inżynieria Produkcji opracowane w ramach standardów kształcenia. Zaprezentowano: ustalenia ogólne, kwalifikacje absolwenta, ramowe treści kształcenia oraz wymagania programowe.
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Structural studies of titanium oxide multilayers
PublicationW pracy przedstawiono wyniki badań cienkich warstw TiO2 przy wykorzystaniu dyfrakcji rentgenowskiej i anihilacji pozytonów. Warstwy były wytwarzane różnymi metodami. Badania pozwalają na określenie optymalnych, z punktu widzenia późniejszych zastosowań, parametrów warstw.
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Computational studies of a hypocycloidal electron monochromator
PublicationPrzeprowadzono badania hipocykolidalnego monochromatora elektronów, wykorzystując komputerowy program optyki elektronowej CPO-3D. Obliczono i przeprowadzono analizę torów elektronów w wiązce o zadanym rozmyciu kątowym przechodzącej przez monochromator. Ustalono, że rozdzielczość energetyczna monochromatora jest wyższa niż odpowiadającego mu monochromatora trochoidalnego.
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Torsional buckling paradox - extended studies.
PublicationAnalizowano wyboczenie skrętne pręta cienkościennego o dwuteowym przekroju poprzecznym ze zmienną szerokością półek. Wykazano, że siła krytyczna wyboczenia skrętnego może przekraczać granice wyznaczone przez siły odpowiadające prętom o stałych ekstremalnych szerokościach półek. Ten paradoksalny wynik uzyskano w ramach teorii prętów cienkościennych o przekroju nieodkształcalnym. Przeanalizowano siłę krytyczną wyboczenia skrętnego...
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Detailed studies of superconducting properties of Y2Pd1.25Ge2.75
PublicationWe report a successful synthesis of a high-purity intermetallic germanide Y2Pd1.25Ge2.75, crystallizing in the disordered variant of the AlB2-type structure. A single-phase sample was obtained via arc-melting by deliberately tuning the composition out of the ideal 2:1:3 ratio. Specific heat, electrical resistivity and magnetization measurements show that the compound is a weakly-coupled (λ e-p = 0.58) type-II superconductor with...
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Uniqueness or uniformity - studies of media architecture
PublicationA development of media architecture is presented in light of to such phenomena as aesthetization, consumerism and digitization. This article deals with media architecture in commercial spaces. Media solutions impact on the architectural skin, making it into visible and dynamic points of the image of a post-modern city. This article presents the specificity of media solutions, depending on the function of commercial activity buildings...
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
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The comparative study of micellar TLC and RP-TLC as potential tools for lipophilicity assessment based on QSRR approach
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An object-based SAR image iceberg detection algorithm applied to the Amundsen Sea
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Floodsar: Automatic mapping of river flooding extent from multitemporal SAR imagery
PublicationFloodsar is an open-source tool for automatic mapping of the flood extent from a time series of synthetic aperture radar (SAR) imagery. Floodsar is unsupervised, however, it requires defining the parameters search space, geographical area of interest, and some river gauge observations (e.g. water levels or discharges) time series that overlap temporarily with the SAR imagery. Applications of Floodsar are mainly in real-time monitoring...
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part II: studies in the SDS micelle
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