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Search results for: MOLECULAR-ORBITAL METHODS
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Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail
PublicationAmphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich)...
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Comparison of GC–MS and MEKC methods for caffeine determination in preworkout supplements
PublicationIn this study, GC–MS- and MEKC-based methods for determination of caffeine (CAF) in preworkout supplements were developed and validated. The proposed protocols utilized minimal sample preparation (simple dilution and syringe filtration). The developed methods achieved satisfactory validation parameters, i.e. good linearity (R2 0.9988 and R2 0.9985 for GC–MS- and MEKC-based method, respectively), satisfactory intraand interaccuracy...
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[IMa] Experimental Methods for Materials Characterisation
e-Learning Courses{mlang pl} Dyscyplina: inżynieria materiałowa Zajęcia obowiązkowe dla doktorantów I i II roku Prowadzący: A. Mielewczyk-Gryń, M. Szkodo, B. Bochentyn, J. Ryl Liczba godzin: 30 Forma zajęć: laboratoria {mlang} {mlang en} Discipline: materials engineering Obligatory course for 1-st and 2nd-year PhD students Academic teachers: M. Gazda, A. Lisowska-Oleksiak, A. Mielewczyk-Gryń, R. Bogdanowicz, T. Klimczuk, Ł. Piszczyk,...
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Qualitative methods for market research 2022
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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Spectroscopy Methods in Nanotechnology - laboratory 2022
e-Learning CoursesCourse for 2nd degree Students of Nanotechnology, specialization Nanostructures and computer simulations in materials science, sem. 2.
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[ILiT, IŚGiE] Mathematical methods in engineering
e-Learning Courses{mlang pl} Dyscyplina: ILiT, IŚGiE Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: P. Kłosowski Liczba godzin: 15 Forma zajęć: wykład {mlang} {mlang en} Discipline: ILiT, IŚGiE Obligatory course for 1st-year PhD students Academic teacher: P. Kłosowski Total hours of training: 15 teaching hours Course type: lecture {mlang}
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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Spectroscopy Methods in Nanotechnology - laboratory 2023
e-Learning CoursesCourse for 2nd degree Students of Nanotechnology, specialization Nanostructures and computer simulations in materials science, sem. 2.
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Physical testing methods of materials 23
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[ILiT, IŚGiE] Mathematical methods in engineering
e-Learning Courses{mlang pl} Dyscyplina: inżynieria lądowa i transport; inżynieria środowiska, górnictwo i energetyka Zajęcia obowiązkowe dla doktorantów I i II roku Prowadzący: dr inż. Roger Sauer, prof. PG Liczba godzin: 15 Forma zajęć: wykład {mlang} {mlang en} Discipline: civil engineering and transport; environmental engineering, mining and power engineering Obligatory course for 1st and 2nd-year PhD students Academic teacher: dr...
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Methods of quantitative analysis (team project)
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2023_IM 2sem_Qualitative methods for market research
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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Modelling methods in design (CAD, FEM)
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Spectroscopy Methods in Nanotechnology - laboratory 2024
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Mathematical Methods in Engineering 2023/2024
e-Learning CoursesJest to pomocnicza formatka do tworzenia kursów wspomagających nauczanie stacjonarne na WILiŚ. Formatka została utworzona i udostępniona przez CNE. Uwaga: W celu wykorzystania i modyfikacji należy: 1) skopiować kurs wzorcowy 2) dopiero w kopii nanosić zmiany.
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2022/2023 Methods of structural studies
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublicationWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublicationMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography
PublicationA novel procedure for the application of atom probe tomography (APT) to the structural analysis of biological systems, has been recently proposed, whereby the specimen is embedded by a silica matrix and ablated by a pulsed laser source. Such a technique, requires that the silica primer be properly inert and bio-compatible, keeping the native structural features of the system at hand, while condensing into an amorphous, glass-like...
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A BRIEF REVIEW AND COMPARISON OF SELECTED EXPERIMENTAL METHODS FOR MEASURING NATURAL FREQUENCIES OF CIRCULAR SAW BLADES
PublicationDifferent methods for the empirical determination of the natural frequencies of circular saw blades are presented. Stationary methods, such as the harmonic and impulse tests, are discussed and the results of related comparison are given. The comparison of the methods revealed their degree of practical usefulness and their accuracy in determining natural frequencies. A combination of specific methods is proposed, which should allow...
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Methods of the privatization process of Polish state-owned enterprises in years 1990‒2015
PublicationThis article presents methods of the privatization process of state-owned enterprises in Poland in the period of years 1990‒2015. The author presents the change of number of state-owned companies over the selected period as well as describes the main methods of ownership transformation used in Poland. First part presents the mechanism of commercialization. Second discusses the indirect privatization and contribution to NFI. Next,...
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‘Personas for lighting’. Three methods to develop personas for the indoor lighting environment
PublicationThe objective of this research is to describe and compare three different methods of generating ‘persona for lighting’ to envision users’ behaviour within the lighting environment. ‘Personas’ are used to represent typical users, highlighting their needs, perspectives, and expectations to aid user-centric design approaches. The researchers looked for the most useful method of shaping ‘personas for lighting’ to learn about users’...
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Molecular biaxiality determines the helical structure – infrared measurements of the molecular order in the nematic twist-bend phase of difluoro terphenyl dimer
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Comparison of the tests for equivalence of the measurement methods for measurement of PM10 dust in ambient air
PublicationThe paper presents the motives for conducting the equivalence tests and the reasons of discrepancies between the results of PM10 dust concentration obtained via the reference method and the methods based on 'on-site' measurement. The reference and non-reference methods of measurement of PM10 dust concentration in air have been discussed. Field tests for equivalence, following the Polish standard and the European Union (EU) guidelines,...
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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Evaluation of Decision Fusion Methods for Multimodal Biometrics in the Banking Application
PublicationAn evaluation of decision fusion methods based on Dempster-Shafer Theory (DST) and its modifications is presented in the article, studied over real biometric data from the engineered multimodal banking client verification system. First, the approaches for multimodal biometric data fusion for verification are explained. Then the proposed implementation of comparison scores fusion is presented, including details on the application...
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublicationNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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Examining Statistical Methods in Forecasting Financial Energy of Households in Poland and Taiwan
PublicationThis paper examines the usefulness of statistical methods in forecasting the financial energy of households. The study’s objective is to create the innovative ratios that combine both financial and demographic information of households and implement them in the forecasting models. To conduct this objective, six forecasting models are developed using three different methods—discriminant analysis, logit analysis, and decision trees...
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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublicationShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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A COMPARISON OF THE WIND SPECTRUM ACCORDING TO DIFFERENT METHODS - AN ORIGINAL PROJECT OF A BUILDING ON A CLIFF IN GDYNIA
PublicationThe article presents numerical simulations of the dynamic wind loads on the structure of a building designed on a cliff in Gdynia. The results obtained from the two methods: Davenport’s and Karman’s are compared. The results allowed a comparison of the two methods, and they provided an answer to the question how a construction, designed in such an unusual condition of a cliff behaves under the influence of the gusting wind. The...
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Comparison of Methods for Real and Imaginary Motion Classification from EEG Signals
PublicationA method for feature extraction and results of classification of EEG signals obtained from performed and imagined motion are presented. A set of 615 features was obtained to serve for the recognition of type and laterality of motion using 8 different classifications approaches. A comparison of achieved classifiers accuracy is presented in the paper, and then conclusions and discussion are provided. Among applied algorithms the...
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Performance Analysis of Machine Learning Methods with Class Imbalance Problem in Android Malware Detection
PublicationDue to the exponential rise of mobile technology, a slew of new mobile security concerns has surfaced recently. To address the hazards connected with malware, many approaches have been developed. Signature-based detection is the most widely used approach for detecting Android malware. This approach has the disadvantage of being unable to identify unknown malware. As a result of this issue, machine learning (ML) for detecting malware...
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Analysis of Transformation Methods of Hydroacoustic and Optoelectronic Data Based on the Tombolo Measurement Campaign in Sopot
PublicationMeasurements in the coastal zone are carried out using various methods, including Global Navigation Satellite Systems (GNSS), hydroacoustic and optoelectronic methods. Therefore, it is necessary to develop coordinate transformation models that will enable the conversion of data from the land and marine parts to one coordinate system. The article presents selected issues related to the integration of geodetic and hydrographic data....
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Verification of Selected Calculation Methods Regarding Shear Strength in Reinforced and Prestressed Concrete Beams
PublicationThe purpose of this article was an attempt to compare selected calculation methods regarding shear strength in reinforced and prestressed concrete beams. Several calculation methods were tested. This included codes: PN-EN 1992-1-1:2008 [1], ACI 318- 14 [2] and fib Model Code for Concrete Structures 2010 [3]. The analysis also consists of methods published in technical literature. Calculations of shear strengths were made based...
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Molecular Catalysis
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublicationOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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A Study on Influence of Normalization Methods on Music Genre Classification Results Employing kNN Algorithms
PublicationThis paper presents a comparison of different normalization methods applied to the set of feature vectors of music pieces. Test results show the influence of min-nlax and Zero-Mean normalization methods, employing different distance functions (Euclidean, Manhattan, Chebyshev, Minkowski) as a pre-processing for genre classification, on k-Nearest Neighbor (kNN) algorithm classification results.
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METHODS OF TEACHING SPATIAL AND URBAN PLANNING AT GEODESY AND CARTOGRAPHY
PublicationSpatial and town planning is a complex process caused by the interaction between natural and social systems at different temporal and spatial scales. That is the reason, why it is difficult to introduce this subject to students studying disciplines other than spatial or urban planning. The main problem is to define goals, the scope and expected educational effects. The second step is to choose the appropriate teaching and assessment...
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Comparison of two methods of sound extraction from guitar string video recordings
PublicationA comparison of two sound extraction methods from guitar string video recordings is presented in the paper. A brief overview of highframe rate camera technology and possible applications are included. The method using the image analysis from two such cameras is presented. The cameras are placed at the angle of 90 degrees for recording the image in three planes. The results achieved...
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Searching of the buried objects in the sea bottom by means of noninvasive methods
PublicationSearching of objects on the seabed or under its surface currently is a challenge for a number of researchers interested in the sea bottom. The problem relates to the objects on the depths of up to several tens of meters from the surface of the seabed. Finding the objects is the subject of interest for a wide group of users starting from archaeologists, and ending on groups interested in marine safety, as well as in military application...
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Verification of selected calculation methods regarding shear strength in beams without web reinforcement
PublicationThe purpose of the article was to compare selected calculation methods regarding shear strength in reinforced concrete beams without web reinforcement. Several calculation methods were tested. This included codes: PN-EN 1992-1-1:2008, ACI 318-14 and fib Model Code for Concrete Structures 2010. The analysis also consists of authorial methods published in technical literature. Calculations of shear strengths were made based on experimental...
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Introduction to advanced numerical methods in engineering
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Numerical methods in heat and fluid flow
e-Learning CoursesPrzedmiot odnosi się do bilansu masy pędu i energii w ujęciu 0D i 3D.
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Advanced methods in biosensing: fundamentals and applications
e-Learning CoursesThis course provides instruction in the basic science and engineering conceptsrequired to understand the design and application of biosensors. Different biosensorsystems are explored, ranging from electrochemical devices, through to optical orthermal systems. Instruction is also given in the general principles of sampling andanalysis, statistical presentation and manipulation of data. The primary focus will bethe physics of biomolecule...
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Numerical methods in heat and fluid flow
e-Learning CoursesPrzedstawienie zagadnień dotyczących modelowania urządzeń instalacji energetycznych, w tym obiegów cieplnych termodynamicznych oraz wybranych urządzeń instalacji energetycznych przy użyciu kodów komercyjnych. Przedstawienie możliwości obliczeniowych kodu obliczeniowego typu CFD.
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Developing Methods for Building Intelligent Systems of Information Resources Processing Using an Ontological Approach
PublicationThe problem of developing methods of information resource processing is investigated. A formal procedure description of processing text content is developed. A new ontological approach to the implementation of business processes is proposed. Consider that the aim of our work is to develop methods and tools for building intelligent systems of information resource processing, the core of knowledge bases of which are ontology’s, and...
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Molecular transformation of dissolved organic matter in manganese ore-mediated constructed wetlands for fresh leachate treatment
PublicationThe organic matter (OM) and nitrogen in Fresh leachate (FL) from waste compression sites pose environmental and health risks. Even though the constructed wetland (CW) can efficiently remove these pollutants, the molecular-level transformations of dissolved OM (DOM) in FL remain uncertain. This study reports the molecular dynamics of DOM and nitrogen removal during FL treatment in CWs. Two lab-scale vertical-flow CW systems were...