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Search results for: MULTIVARIATE DATA ANALYSIS
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Multivariate assessment of anticancer oleanane triterpenoids lipophilicity
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Box-spline histograms for multivariate density estimation
PublicationW pracy podano ujednoliconą konstrukcję estymatora pochodnych gęstości oraz stałych asymptotycznych dla tej gęstości. Posłużono się histogramami box-splinowymi. Skorzystano z twierdzeń asymptotycznych dla operatorów związanych z tymi estymatorami.
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Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review
PublicationIn this review, we present the applications of chemometric techniques for green and sustainable chemistry. The techniques, such as cluster analysis, principal component analysis, artificial neural networks, and multivariate ranking techniques, are applied for dealing with missing data, grouping or classification purposes, selection of green material, or processes. The areas of application are mainly finding sustainable solutions...
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublicationThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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Regularized Local Multivariate Reduced-Order Models With Nonaffine Parameter Dependence
PublicationThis paper addresses a singular problem, not yet discussed in the literature, which occurs when parametric reduced-order models are created using a subspace projection approach with multiple concatenated projection bases. We show that this technique may lead to the appearance of localized artifacts in the frequency characteristics of a system, even when the reduced-order projection basis is rich enough to describe the original...
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Qualitative and Quantitative Analysis of Selected Tonic Waters by Potentiometric Taste Sensor With All-Solid-State Electrodes
PublicationTaste sensor with five all-solid-state electrodes (ASSE) III (third version) was used for qualitative and quantitative analysis of selected tonic waters (J.Gasco, Kinley, Jurajski, Jurajski with citrus flavor, Carrefour, Schweppes Indian Tonic, and Schweppes Bitter Lemon). The results obtained by this taste sensor analyzed with principal component analysis, agglomerative hierarchical clustering methods show that this sensor can...
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Karol Flisikowski dr inż.
PeopleKarol Flisikowski works as Associate Professor at the Department of Statistics and Econometrics, Faculty of Management and Economics, Gdansk University of Technology. He is responsible for teaching descriptive and mathematical statistics (in Polish and English), as well as scientific research in the field of social statistics. He has been a participant in many national and international conferences, where he has presented the results...
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Multivariate models of inter-resonator couplings for microwave filter synthesis
PublicationArtykuł przedstawia technikę budowy modeli częstotliwości rezonansowej, współczynnika sprzężenia między rezonatorami oraz sprzężenia ze źródłem/obciążeniem. Przedstawiony jest model siedmiu zmiennych uwzglęgniający topologię rezonatorów. Na podstawie modelu wykonana została synteza filtrów mikrofalowych.
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Active Control of Highly Autocorrelated Machinery Noise in Multivariate Nonminimum Phase Systems
PublicationIn this paper, a novel multivariate active noise control scheme, designed to attenuate disturbances with high autocorrelation characteristics and preserve background signals, is proposed. The algorithm belongs to the class of feedback controllers and, unlike the popular feedforward FX-LMS approach, does not require availability of a reference signal. The proposed approach draws its inspiration from the iterative learning control...
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New semi-causal and noncausal techniques for detection of impulsive disturbances in multivariate signals with audio applications
PublicationThis paper deals with the problem of localization of impulsive disturbances in nonstationary multivariate signals. Both unidirectional and bidirectional (noncausal) detection schemes are proposed. It is shown that the strengthened pulse detection rule, which combines analysis of one-step-ahead signal prediction errors with critical evaluation of leave-one-out signal interpolation errors, allows one to noticeably improve detection results...
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Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics
PublicationIonic liquids (ILs) are used in various fields of chemistry. One of them is CO2 capture, a process that is quite well described. The solubility of CO2 in ILs can be used as a model to investigate gas absorption processes. The aim is to find the relationships between the solubility of CO2 and other variables—physicochemical properties and parameters related to greenness. In this study, 12 variables are used to describe a dataset...
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Gas chromatography-olfactometry (GC-O), electronic noses (e-noses) and electronic tongues (e-tongues) for in vivo food flavour measurement
PublicationThe capter revies two types of artificial olfaction instrumentation, i.e. gas-chromatography-olfactometry (GC-O) and chemical sensor technologies (electronic nose and tongue), combined with multivariate data processing methods as promising approaches for rapid analysis of food. The chapter also includes examples of specific applications for the detection of food flavour and volatile components.
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Tensor Decomposition for Imagined Speech Discrimination in EEG
PublicationMost of the researches in Electroencephalogram(EEG)-based Brain-Computer Interfaces (BCI) are focused on the use of motor imagery. As an attempt to improve the control of these interfaces, the use of language instead of movement has been recently explored, in the form of imagined speech. This work aims for the discrimination of imagined words in electroencephalogram signals. For this purpose, the analysis of multiple variables...
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Assessment of river water quality in the South Baltic coast by multivariate techniques
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Simultaneous grouping and ranking with combination of SOM and TOPSIS for selection of preferable analytical procedure for furan determination in food
PublicationNovel methodology for grouping and ranking with application of self-organizing maps and multicriteria decision analysis is presented. The dataset consists of 22 objects that are analytical procedures applied to furan determination in food samples. They are described by 10 variables, referred to their analytical performance, environmental and economic aspects. Multivariate statistics analysis allows to limit the amount of input...
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Lattice filter based multivariate autoregressive spectral estimation with joint model order and estimation bandwidth adaptation
PublicationThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a multivariate nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running...
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Multivariate evaluation by quality indicators of no-tillage system in Argiudolls of rolling pampa (Argentina)
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Multivariate Features Extraction and Effective Decision Making Using Machine Learning Approaches
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Krzysztof Goczyła prof. dr hab. inż.
PeopleKrzysztof Goczyła, full professor of Gdańsk University of Technology, computer scientist, a specialist in software engineering, knowledge engineering and databases. He graduated from the Faculty of Electronics Technical University of Gdansk in 1976 with a degree in electronic engineering, specializing in automation. Since then he has been working at Gdańsk University of Technology. In 1982 he obtained a doctorate in computer science...
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A comprehensive lipidomic analysis of oilseeds using LC-Q-TOF-MS and dispersive micro-solid phase (D-μ-SPE) extraction techniques
PublicationGrowing public health awareness increased the demand for natural products with positive health benefits. Vegetable oils containing omega-3 fatty acids (FA) such as alpha-linolenic acid (ALA) has been proposed as a possible source of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). In this work, a comprehensive lipidome analysis and comparison of seven oilseeds, including flaxseed, chia, hemp, black cumin, white sesame,...
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Surface water quality assessment by the use of combination of multivariate statistical classification and expert information
PublicationThe present study deals with the assessment of surface water quality from an industrial-urban region located in northern Poland near to the city of Gdansk. Concentrations of thirteen chemicals includingtotal polycyclic aromatic hydrocarbons (PAHs), halogenated volatile organic compounds (HVOCs) and major ions in the samples collected at five sampling points during six campaigns were used as variablesthroughout the study. The originality...
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Electronic Noses and Electronic Tongues
PublicationChapter 7 reports the achievements on the field of artificial senses, such as electronic nose and electronic tongue. It examines multivariate data processing methods and demonstrates a promising potential for rapid routine analysis. Main attention is focused on detailed description of sensor used, construction and principle of operation of these systems. A brief review about the progress in the field of artificial senses and future trends...
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Multivariate statistical comparison of analytical procedures for benzene and phenol determination with respect to their environmental impact
PublicationThe studydescribesthepossibilityofapplicationofself-organizingmapstechniquetoassessthe greenness ofanalyticalmethodologies.Themetrologicaland “environmentalimpact” parametersof proceduresforbenzeneandphenoldeterminationinwatersamplesweresetsofinputdatafor chemometric analysis.Totally47objectsand8variablesformedthedatausedforanalysis.Themajor factors responsiblefornon-greencharacterofthemethodologyaretheamountoforganicsolventand amount...
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Features extraction from the electrocatalytic gas sensor responses
PublicationOne of the types of gas sensors used for detection and identification of toxic-air pollutant is an electrocatalytic gas sensor. The electrocatalytic sensors are working in cyclic voltammetry mode, enable detection of various gases. Their response are in the form of I-V curves which contain information about the type and the concentration of measured volatile compound. However,...
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Multivariate Assessment of Procedures for Molecularly Imprinted Polymer Synthesis for Pesticides Determination in Environmental and Agricultural Samples
PublicationIn the case of quantitative and qualitative analysis of pesticides in environmental and food samples, it is required to perform a sample pre-treatment process. It allows to minimalize the impact of interferences on the final results, as well as increase the recovery rate. Nowadays, apart from routinely employed sample preparation techniques such as solid-phase extraction (SPE) or solid-phase microextraction (SPME), the application...
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Identification of volatile compounds based on the electrocatalytic gas sensor responses
PublicationMeasured response in case of electrocatalytic gas sensors is in form of a voltamperometric characteristic. Current-voltage (I-V) response shape depends on the gas type and its concentration. Such response contains significantly more information comparing with typical electrochemical sensors, but is quite difficult to analyze. When I-V curve contains current peaks, position of such peaks can be used...
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Identification of nonstationary multivariate autoregressive processes– Comparison of competitive and collaborative strategies for joint selection of estimation bandwidth and model order
PublicationThe problem of identification of multivariate autoregressive processes (systems or signals) with unknown and possibly time-varying model order and time-varying rate of parameter variation is considered and solved using parallel estimation approach. Under this approach, several local estimation algorithms, with different order and bandwidth settings, are run simultaneously and compared based on their predictive performance. First,...
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Efficient recovery of electrophoretic profiles of nucleoside metabolites from urine samples by multivariate curve resolution
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An odor-sensing system - powerful technique for foodstuff studies
PublicationThis work examines gas sensor array technology combined with multivariate data processing methods and demonstrates a promising potential for rapid, non-destructive analysis of food. Main attention is focused on detailed description of sensor used in e-nose instruments, construction, and principle of operation of these systems. Moreover, this paper briefly reviews the progress in the field of artificial olfaction and future trends...
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Sylwester Kaczmarek dr hab. inż.
PeopleSylwester Kaczmarek received his M.Sc in electronics engineering, Ph.D. and D.Sc. in switching and teletraffic science from the Gdansk University of Technology, Gdansk, Poland, in 1972, 1981 and 1994, respectively. His research interests include: IP QoS and GMPLS and SDN networks, switching, QoS routing, teletraffic, multimedia services and quality of services. Currently, his research is focused on developing and applicability...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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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 gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublicationMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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Characterization of metabolites in different kiwifruit varieties by NMR and fluorescence spectroscopy
PublicationIt is known from our previous studies that kiwifruits, which are used in common human diet, have preventive properties of coronary artery disease. This study describes a combination of 1H NMR spectroscopy, multivariate data analyses and fluorescence measurements in differentiating of some kiwifruit varieties, their quenching and antioxidant properties. A total of 41 metabolites were identified by comparing with literature data...
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Zastosowanie metod eksploracji danych do analizy odpowiedzi czujników gazu
PublicationZagadnienia poruszane w niniejszej rozprawie dotyczą zastosowania metod eksploracji danych do analizy odpowiedzi czujników gazu, umożliwiających poprawną identyfikację składu mieszaniny gazowej w elektronicznych systemach rozpoznawania gazu. Elektroniczne systemy rozpoznawania gazu to urządzenia wykorzystujące czujniki gazu oraz odpowiednio dobrane metody analizy danych pomiarowych, zdolne do określenia składu mierzonej mieszaniny...
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Impact of a newly-formed periglacial environment and other factors on fresh water chemistry at the western shore of Admiralty Bay in the summer of 2016 (King George Island, Maritime Antarctica)
PublicationThis study provides a comprehensive analysis of the inorganic chemistry of flowing water at the western shore of Admiralty Bay. In the water samples, ions, and major and trace metals (and B)were detected and quantified. Additionally, the parameters of pH, specific electrolytic conductivity (SEC25) and total organic carbon (TOC) were determined. Moreover, multivariate data set was created and Principal Component Analysis (PCA) was...
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Efficiency of linear and non-linear classifiers for gas identification from electrocatalytic gas sensor
PublicationElectrocatalytic gas sensors belong to the family of electrochemical solid state sensors. Their responses are acquired in the form of I-V plots as a result of application of cyclic voltammetry technique. In order to obtain information about the type of measured gas the multivariate data analysis and pattern classification techniques can be employed. However, there is a lack of information in literature about application of such...
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Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts
PublicationFood packaging materials constitute an ever more threatening environmental pollutant. This study examined options to specifically assess the ecotoxicity of packaged wastes, such as cans, subjected to various experimental treatments (in terms of extraction media, time of exposure, and temperature) that imitate several basic conditions of the process of food production. The extracts were studied for their ecotoxicity with bioluminescent...
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Monitoring the BTEX Volatiles during 3D Printing with Acrylonitrile Butadiene Styrene (ABS) Using Electronic Nose and Proton Transfer Reaction Mass Spectrometry
PublicationWe describe a concept study in which the changes of concentration of benzene, toluene, ethylbenzene, and xylene (BTEX) compounds and styrene within a 3D printer enclosure during printing with different acrylonitrile butadiene styrene (ABS) filaments were monitored in real-time using a proton transfer reaction mass spectrometer and an electronic nose. The quantitative data on the concentration of the BTEX compounds, in particular...
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Piotr Paradowski dr
PeopleDr Piotr Paradowski's areas of expertise in quantitative social science methods include truncated and censored models, quantile regressions, survival analysis, panel data models, discrete regressions and qualitative choice models, instrumental variable estimation, and hierarchical modeling. He is also an expert in statistical matching and statistical methods to handle missing data. In addition, he conducts research on income and...
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Magdalena Szuflita-Żurawska
PeopleHead of the Scientific and Technical Information Services at the Gdansk University of Technology Library and the Leader of the Open Science Competence Center. She is also a Plenipotentiary of the Rector of the Gdańsk University of Technology for open science. She is a PhD Candidate. Her main areas of research and interests include research productivity, motivation, management of HEs, Open Access, Open Research Data, information...
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Determination of mercury in mosses by novel cold vapor generation atmospheric pressure glow microdischarge optical emission spectrometry after multivariate optimization
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Synthesis, characterization and application of cross-linked functional terpolymer through epoxy group as sorbent for extraction of cadmium from waters and foods: Multivariate optimization
PublicationThe purpose of this study was to develop a selective sorbent for cadmium ions (Cd(II)) enrichment in orbital shaker assisted solid phase microextraction (OS-SPME) from different aqueous and food samples. A maleic anhydride-styrene-glycidyl methacrylate (MA-St-GMA) terpolymer was synthesized and characterized in detail. Experimental variables of sample preparation step were optimized using a central composite design (CCD). The final...
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Nuclear Magnetic Resonance Metabolomics Reveals Qualitative and Quantitative Differences in the Composition of Human Breast Milk and Milk Formulas
PublicationCommercial formula milk (FM) constitutes the best alternative to fulfill the nutritional requirements of infants when breastfeeding is precluded. Here, we present the comparative study of polar metabolite composition of human breast milk (HBM) and seven different brands of FM by nuclear magnetic resonance spectroscopy. The results of the multivariate data analysis exposed qualitative and quantitative differences between HBM and...
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FTIR, Raman spectroscopy and HT-XRD in compatibility study between naproxen and excipients
PublicationDetection of incompatibility between an active pharmaceutical ingredient (API) and excipients, including the selection of the most biopharmaceutical advantageous excipients is extremely important in the pre-formulation process of developing a solid dosage form technology. Therefore, having fast and reliable methods for identifying incompatibility is fundamental in pharmaceutical technology. For this purpose, combined Fourier transform...
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Multivariate Optimization of the FLC-dc-APGD-Based Reaction-Discharge System for Continuous Production of a Plasma-Activated Liquid of Defined Physicochemical and Anti-Phytopathogenic Properties
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Analiza danych typu Big Data 2022/23
e-Learning CoursesThe aim of the course is to familiarize students with the methods of storing and analysis of big data. Practical tools for these tasks are presented.
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The multivariate multilevel analisis of different regional factors impact on road saferty in european country regions = Wielopoziomowa analiza wieloczynnikowa wpływu różnych charakterystyk regionalnych na poziom bezpieczeństwo ruchu w regionach krajów europejskich
PublicationIn this research, the effect of the European regional differences on the risk of been killed in road accident in these regions is investigated. Factors which differentiate regions can be described as automotive, economic, infrastructural, demographic, geographic. Analyzed risk, counted as regional fatality rate was modeled by the Poisson model. Because of regional diversity of Poisson distribution parameters, the Poisson distribution...
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Analiza danych typu Big Data 2023/24 KOPIA
e-Learning CoursesThe aim of the course is to familiarize students with the methods of storing and analysis of big data. Practical tools for these tasks are presented.
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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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