Wyniki wyszukiwania dla: CHEMOMETRIA
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Extensive chemometric analysis exploring the acid-base equilibrium and self-association of unsymmetrical bisacridines reveals characteristics possibly relevant for their anticancer activity
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Chemometric outlook on correlations between retention parameters of polar and semipolar HPLC columns and physicochemical characteristics of ampholytic substances of biological and pharmaceutical relevance
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Chemometric approach to correlations between retention parameters of non-polar HPLC columns and physicochemical characteristics for ampholytic substances of biological and pharmaceutical relevance
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Impact of Cultivation Conditions, Ethylene Treatment, and Postharvest Storage on Selected Quality and Bioactivity Parameters of Kiwifruit “Hayward” Evaluated by Analytical and Chemometric Methods
PublikacjaOrganic, semiorganic, and conventional “Hayward” kiwifruits, treated with ethylene for 24 h and stored during 10 days, were assessed by UV spectrometry, fluorometry, and chemometrical analysis for changes in selected characteristics of quality (firmness, dry matter and soluble solid contents, pH, and acidity) and bioactivity (concentration of polyphenols via Folin-Ciocalteu and p-hydroxybenzoic acid assays). All of the monitored...
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The Verification of the Usefulness of Electronic Nose Based on Ultra-Fast Gas Chromatography and Four Different Chemometric Methods for Rapid Analysis of Spirit Beverages
PublikacjaSpirit beverages are a diverse group of foodstuffs. They are very often counterfeited which cause the appearance of low quality products or wrongly labelled products on the market. It is important to find a proper quality control and botanical origin method enabling the same time preliminary check of the composition of investigated samples, which was the main goal of this work. For this purpose, the usefulness of electronic nose...
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Chemometric modeling of aquatic toxicity of contaminants of emerging concern (CECs) in Dugesia japonica and its interspecies correlation with daphnia and fish: QSTR and QSTTR approaches
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Chemometric analysis of bio-inspired micellar electrokinetic chromatographic systems – modelling of retention mechanism and prediction of biological properties using bile salts surfactants
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Application of chemometric modeling for ionic liquid-based ultrasonic-assisted dispersive liquid-liquid microextraction: Analysis of fosetyl-aluminum in fruit and vegetable samples
PublikacjaThis manuscript presents a new method for selective extraction and determination of fosetyl-aluminum in fruits and vegetable samples based on ultrasonic-assisted dispersive liquid-liquid microextraction method using ionic liquids (IL-UA-DLLME). A UV-Visible spectrophotometer was used for detection and quantification. Plants used for sample collection were grown under controlled conditions in a greenhouse. Central composite design...
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Investigation of use of hydrophilic/hydrophobic NADESs for selective extraction of As(III) and Sb(III) ions in vegetable samples: Air assisted liquid phase microextraction and chemometric optimization
PublikacjaIn this paper, a green, cost-effective sample preparation method based on air assisted liquid phase microextraction (AA-LPME) was developed for the simultaneous extraction of As(III) and Sb(III) ions from vegetable samples using hydrophilic/hydrophobic natural deep eutectic solvents (NADESs). Central composite design was used for the optimization of extraction factors including NADES volume, extraction cycle, pH, and curcumin concentration....
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Modification of gradient HPLC method for determination of small molecules' affinity to human serum albumin under column safety conditions: Robustness and chemometrics study
PublikacjaIn the early stages of drug discovery, beyond the biological activity screening, determining the physicochemical properties that affect the distribution of molecules in the human body is an essential step. Plasma protein binding (PPB) is one of the most important investigated endpoints. Nevertheless, the methodology for measuring %PPB is significantly less popular and standardized than other physicochemical properties, like lipophilicity....
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Detection of apple in orange juice using ultra-fast gas chromatography
PublikacjaThe determination of authenticity is an increasingly important issue for food quality and safety. The use of an electronic nose based on ultra-fast gas chromatography technique ensures rapid analysis of the volatile compounds from food products. Due to the fact that this technique enables chemical profiling of agricultural products, it can be an effective tool for authentication when combined with chemometrics. In this article...
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A nontargeted approach to determine the authenticity of Ginkgo biloba L. plant materials and dried leaf extracts by liquid chromatography-high-resolution mass spectrometry (LC-HRMS) and chemometrics
PublikacjaThe lack of stringent regulations regarding raw materials for herbal supplements used for medicinal purposes has been a constant challenge in the industry. Ginkgo biloba L. leaf extracts attract consumers because of the supposed positive effect on mental performance and memory. Supplements are produced using dried leaf materials and standardized leaf extracts such as EGb 761. Adulteration of Ginkgo biloba L. plants and extracts...
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Waldemar Wardencki prof. dr hab. inż.
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Novel analytical method for detection of orange juice adulteration based on ultra-fast gas chromatography
PublikacjaThe food authenticity assessment is an increasingly important issue in food quality and safety. The application of an electronic nose based on ultra-fast gas chromatography technique enables rapid analysis of the volatile compounds from food samples. Due to the fact that this technique provides chemical profiling of natural products, it can be a powerful tool for authentication in combination with chemometrics. In this article,...
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Rapid assessment of the authenticity of limequat fruit using the electronic nose and gas chromatography coupled with mass spectrometry
PublikacjaCitrus fruits are very popular food products. There are many species and varieties of them. There are also documented cases of some citrus fruits causing a severe allergic reaction. Some species of the citrus fruits, especially hybrid ones show a reduced allergenic effect due to the lack of seeds. There is a need for rapid methods for evaluation of citrus’ botanical origin. During research, the headspace of three citrus fruits...
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Chemometria dla Chemii
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Podstawy chemometrii
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Chemometria BT 2022/2023
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Chemometria 2024-2025 (Chemia)
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Multivariate statistical comparison of analytical procedures for benzene and phenol determination with respect to their environmental impact
PublikacjaThe studydescribesthepossibilityofapplicationofself-organizingmapstechniquetoassessthe greenness ofanalyticalmethodologies.Themetrologicaland “environmentalimpact” parametersof proceduresforbenzeneandphenoldeterminationinwatersamplesweresetsofinputdatafor chemometric analysis.Totally47objectsand8variablesformedthedatausedforanalysis.Themajor factors responsiblefornon-greencharacterofthemethodologyaretheamountoforganicsolventand amount...
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Chemometria - Chemia (21/22 - aktualny)
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Chemometria w przemyśle 2021-2022
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Chemometria - Chemia - zimowy 24/25
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Chemometria i metodologia badań doświadczalnych
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Chemometria w przemyśle 2023/2024
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Chemometria - Chemia - zimowy 23/24
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Classification and fingerprinting of kiwi and pomelo fruits by multivariate analysis of chromatographic and spectroscopic data
PublikacjaThe fingerprinting capacity of two analytical techniques, HPLC and UV-Vis spectroscopy in the case of fruits samples (kiwi and pomelo) has been investigated. The multivariate exploratory techniques were used for sample discrimination according to the fruit species and subspecies. The combination of principal component analysis with linear discriminant analysis is opening new directions in the fingerprinting analysis. The classifications...
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Podstawy chemometrii 2022-2023
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Podstawy Chemometrii 2023/2024
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Podstawy chemometrii 24/25
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Novel approach to ecotoxicological risk assessment of sediments cores around the shipwreck by the use of self-organizing maps
PublikacjaMarine and coastal pollution plays an increasingly important role due to recent severe accidents which drew attention to the consequences of oil spills causing widespread devastation of marine ecosystems. All these problems cannot be solved without conducting environmental studies in the area of possible oil spill and performing chemometric evaluation of the data obtained looking for similar patterns among pollutants and optimize...
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Discrimination of Apple Liqueurs (Nalewka) Using a Voltammetric Electronic Tongue, UV-Vis and Raman Spectroscopy
PublikacjaThe capability of a phthalocyanine-based voltammetric electronic tongue to analyze strong alcoholic beverages has been evaluated and compared with the performance of spectroscopic techniques coupled to chemometrics. Nalewka Polish liqueurs prepared from five apple varieties have been used as a model of strong liqueurs. Principal Component Analysis has demonstrated that the best discrimination between liqueurs prepared from different...
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Sediment-quality assessment by intelligent data analysis
PublikacjaCoraz powszechniej do oceny jakości próbek środowiskowych osadów wykorzystuje się analizy chemometryczne. Ich głównym zadaniem jest znalezienie zależności pomiędzy wynikami analiz chemicznych oraz oszacowanymi parametrami toksyczności.Zastosowanie chemometrii w ocenie jakości próbek środowiskowych umożliwiłoby zredukowanie kosztów biomonitoringu prowadzonego na badanym obszarze poprzez optymalizację procedury badawczej.
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Biomonitoring zanieczyszczeń atmosfery z wykorzystaniem materiału roślinnego.
PublikacjaPrzedstawiono podział metod biologicznych wykorzystywanych w ocenie stanu powietrza atmosferycznego. Opisano metody oraz materiał roślinny wykorzystywany w tego rodzaju badaniach. Przedyskutowano zalety oraz wady poszczególnych metod oraz zwrócono uwagę na aspekty niezmiernie istotne do uzyskania rzetelnej informacji analitycznej. Przedstawiono również zastosowania chemometrii w biomonitoringu.
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Podstawy chemometrii ATIP (2021-2022)
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Podstawy chemometrii - 22/23 - letni
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Application of an Electronic Nose Instrument to Fast Classification of Polish Honey Types
PublikacjaThe paper presents practical utilization of an electronic nose prototype, based on the FIGARO semiconductor sensors, in fast classification of Polish honey types—acacia flower, linden flower, rape, buckwheat and honeydew ones. A set of thermostating modules of the prototype provided gradient temperature characteristics of barbotage-prepared gas mixtures and stable measurement conditions. Three chemometric data analysis methods...
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Distinction of citrus fruits based on their volatile composition using the electronic nose
PublikacjaThe aim of the study was to analyze the volatile fraction of the citrus fruit using an electronic nose device integrated with ultrafast gas chromatography. The subjects were Citrus aurantifolia, Fortunella margarita Swingle and Citrus × floridana. The chromatographic data obtained were analyzed by means of chemometric methods: PCA and SQC. On the basis of the charts obtained, it is possible to distinguish the fruits tested on the...
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Binary Mixtures of Selected Bisphenols in the Environment: Their Toxicity in Relationship to Individual Constituents
PublikacjaBisphenol A (BPA) is one of the most popular and commonly used plasticizer in the industry. Over the past decade, new chemicals that belong to the bisphenol group have increasingly been used in industrial applications as alternatives to BPA. Nevertheless, information on the combined effects of bisphenol (BP) analogues is insufficient. Therefore, our current study aimed to find the biological response modulations induced by the...
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublikacjaThe present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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Chemometria i metodologia badań doświadczalnych - 22/23
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Chemometria i metodologia badań doświadczalnych - 23/24
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Unique agreement of experimental and computational infrared spectroscopy: a case study of lithium bromide solvation in an important electrochemical solvent
PublikacjaInfrared (IR) spectroscopy is a widely used and invaluable tool in the studies of solvation phenomena in electrolyte solutions. Using state-of-the-art chemometric analysis of a spectral series measured in a concentration-dependent manner, the spectrum of the solute-affected solvent can be extracted, providing a detailed view of the structural and energetic states of the solvent molecules influenced by the solute. Concurrently,...
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Statystyka i chemometria w chemii analitycznej 2024/2025
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Ocena stopnia degradacji termicznej olejów jadalnych z wykorzystaniem techniki ultraszybkiej chromatografii gazowej
PublikacjaPod wpływem podwyższonej temperatury oleje jadalne ulegają procesowi degradacji termicznej. W tym przypadku ilość lotnych związków organicznych, charakteryzujących się dużą polarnością, występujących w olejach jadalnych jest większa. Zmiany składu olejów jadalnych mogą stanowić zagrożenie dla zdrowia człowieka. Obecnie istnieje możliwości wykorzystania techniki ultraszybkiej chromatografii gazowej do oceny stopnia degradacji olejów...
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Characterization of various drinking waters by new potentiometric taste sensor with lipid, lipid-like polymer membranes
PublikacjaA new sensing system comprising five all-solid-state electrodes with lipid, lipid like-polymer membranes was applied for rapid qualitative and quantitative analysis of various drinking waters. The results elaborated by chemometric methods revealed sensitivity to CO2 content in drinking water, suggesting that this sensing system could be used as a taste sensor. The ability of taste sensor to perform quantitative analysis of minerals...
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Obiektowa analiza obrazów w interpretacji danych z anemometrii obrazowej
PublikacjaPostęp jaki nastąpił w zakresie fotogrametrii i teledetekcji spowodował, iż tematyka którą obecnie zajmują się badacze na całym świecie zdecydowanie wykroczyła poza tradycyjne ramy w jakich zwykle postrzega się te dziedziny nauki. Jednym z przykładów jest bez wątpienia anemometria obrazowa. Obrazy generowane przez tą metodę pomiarową są przedmiotem rozważań niniejszego artykułu.
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Use of Sensory Analysis Methods to Evaluate the Odor of Food and Outside Air
PublikacjaSensory analysis is applied in many areas of daily life. It is used to carry out the sensory evaluation of foodstuffs or other products and to evaluate the properties of odors present in the environment. The authors attempt to summarize the knowledge on the classification and application of sensory analysis methods to evaluate the odor nuisance of air, which allows the identification of sensory impressions and determination of...
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The comparison of vodka, whisky and moonshine by using the electronic nose based on the technology of ultra-fast gas chromatography
PublikacjaVodka andwhisky are produced fromgrain distillates. Formerly these alcohols were very often counterfeited, by the made in home conditions spirit drink called moonshine, which is obtained by distilling a mash from the alcoholic fermentation. This study presents research aimed at checking the usefulness of the electronic nose using ultra-fast gas chromatography for the differentiation of whisky, vodka and moonshine. 12 samples of...
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The comparison of vodka, whisky and moonshine by using the electronic nose based on the technology of ultra-fast gas chromatography
PublikacjaVodka andwhisky are produced fromgrain distillates. Formerly these alcohols were very often counterfeited, by the made in home conditions spirit drink called moonshine, which is obtained by distilling a mash from the alcoholic fermentation. This study presents research aimed at checking the usefulness of the electronic nose using ultra-fast gas chromatography for the differentiation of whisky, vodka and moonshine. 12 samples of...