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Wyniki wyszukiwania dla: bayesian inference techniques in chromatography and pharmacometrics
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Comparison of Two Methods for the Determination of Selected Pesticides in Honey and Honeybee Samples
PublikacjaDeveloped and validated analytical methods for the determination of a wide spectrum of pesticide residues in honey and honeybee samples after the modification of QuEChERS extraction in combination with gas chromatography–tandem quadrupole mass spectrometry (GC-MS/MS) and liquid chromatography–tandem quadrupole mass spectrometry (LC-MS/MS) were discussed and compared. The developed methods were evaluated regarding the utilized equipment...
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Analytical procedures for the determination of surfactants in environmental samples
PublikacjaBecause of their specific physical and chemical properties (amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate.In the...
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Methods of assaying volatile oxygenated organic compounds in effluent samples by gas chromatography—A review
PublikacjaThe paper is a review of the procedures for the determination of volatile and semivolatile oxygenated organic compounds (O-VOCs) in effluent samples by gas chromatography. Current trends and outlook for individual steps of the procedure for the determination of O-VOCs in effluents are discussed. The available sample preparation techniques and their limitations are described along with GC capillary columns used for O-VOCs separation...
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The difficulties in polybrominated diphenyl ethers identification by GC-EI-MS technique
PublikacjaAwareness about the harmful effects of brominated flame retardants on living organisms increases mainly due to link their presence in the human environment with health disorders. Therefore is a need to conduct research aimed at content control of these chemicals in the environment. Recent improvements in injection techniques and mass spectrometer ionization methods have led to a variety of options to determine PBDEs in environmental...
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Searching for the primary metabolic alterations of polycystic ovary syndrome by application of the untargeted metabolomics approach
PublikacjaDespite a large number of studies, the pathogenesis of polycystic ovary syndrome (PCOS) still remains unexplained. In light of ambiguous observations reported in metabolomics, there is a need to carry out studies focusing on confirming the discriminating power of the proposed metabolomics biomarkers. Our research aimed to perform a validation study of metabolites detected in our previous study from serum samples, on the new set...
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Organotin Compounds: Environmental Fate and Analytics
PublikacjaFor more than 50 years, organotin compounds have been used in almost all sectors of industry. As a consequence, specific environmental compartments are affected by the emission of these xenobiotics. The emissions of organotin compounds into the environment from paints used in the shipbuilding industry for ship hull coating, and from the plant protection products are particularly significant.In 2001, the IMO introduced a global...
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Determination of odour concentration by TD-GC×GC–TOF-MS and field olfactometry techniques
PublikacjaField olfactometry is one of the sensory techniques used to determine odour concentration, in atmospheric air, directly in emission sources. A two-dimensional gas chromatography with time of flight mass spectrometer (GC×GC–TOF-MS) allows performing the chemical characterization of various groups of chemical compounds, even in complex mixtures. Application of these techniques enabled determination of odour concentration level in...
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Qualitative characteristics and comparison of volatile fraction of vodkas made from different botanical materials by comprehensive two-dimensional gas chromatography and the electronic nose based on the technology of ultra-fast gas chromatography
PublikacjaBACKGROUND Vodka is a spirit-based beverage made from ethyl alcohol of agricultural origin. At present, increasingly more vodka brands have labels that specify the botanical origin of the product. Until now, the techniques for distinguishing between vodkas of different botanical origin have been costly, time-consuming and insufficient for making a distinction between vodka produced from similar raw materials. Therefore, it is...
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Endocrine Disrupting Compounds – Problems and Challenges
PublikacjaIn this chapter, information about some of the estrogenic compounds and their environmental fate and biological influence can be found. Special attention is paid to the review of the analytical approaches used at the stages of detection and determination of Endocrine Disrupting Compounds (EDCs) in the environmental samples. Also, a brief characterization of both cellular and non-cellular bioassays is presented. The discovery of...
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A new dilution-enrichment sample preparation strategy for expanded metabolome monitoring of human breast milk that overcomes the simultaneous presence of low- and high-abundance lipid species
PublikacjaThe complex nature of human breast milk (HBM) makes samples difficult to analyze, requiring several extraction techniques and analytical platforms to obtain high metabolome coverage. In this work, we combined liquid-liquid extraction (LLE) and solid-phase extraction (SPE) techniques to prepare HBM samples to overcome the challenge of low- and high-abundance lipid species, enabling the semiquantitative analysis of total HBM lipids...
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Accurate Modeling of Frequency Selective Surfaces Using Fully-Connected Regression Model with Automated Architecture Determination and Parameter Selection Based on Bayesian Optimization
PublikacjaSurrogate modeling has become an important tool in the design of high-frequency structures. Although full-wave electromagnetic (EM) simulation tools provide an accurate account for the circuit characteristics and performance, they entail considerable computational expenditures. Replacing EM analysis by fast surrogates provides a way to accelerate the design procedures. Unfortunately, modeling of microwave passives is a challenging...
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The Concept of a Measurement Data Acquisition Platform Based on Compressive Sensing
PublikacjaThe paper introduces the concept of a modern software-hardware platform for data acquisition and analysis, capable of efficiently handling vast amounts of measurement data in real time with minimal energy consumption. The current methodologies for information acquisition are predicated upon traditional sampling techniques, which frequently yield redundant data necessitating subsequent compression. The novel approach is based on...
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Monitoring of n-butanol vapors biofiltration process using an electronic nose combined with calibration models
PublikacjaMalodours, by definition, are generally unpleasant, nuisance smells that are a mixture of volatile chemical compounds which can be perceptible even at low concentrations. Due to the more frequent occurrence of odour nuisance associated with the odour sensations, and thus the need to remove them from the air, deodorization techniques are commonly used. Biofiltration is one of the methods of reducing odorants in the air stream. In...
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Preconcentration and Analytical Methods for Determination of Methyl Tert-Butyl Ether and Other Fuel Oxygenates and Their Degradation Products in Environment: A Review
PublikacjaFuel oxygenates (FOs) are mainly ethers or alcohols which are added to gasoline either to boost the octane number or to make the fuel burning process more "cleaner" with increasing the oxygen content, or to obtain a combination of both effects. FOs are water soluble with high mobility in the environment which presence even at very low concentrations lower the quality of water making it unsafe or unpleasant due to their objectionable...
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Design and Analysis of Artificial Neural Network (ANN) Models for Achieving Self-Sustainability in Sanitation
PublikacjaThe present study investigates the potential of using fecal ash as an adsorbent and demonstrates a self-sustaining, optimized approach for urea recovery from wastewater streams. Fecal ash was prepared by heating synthetic feces to 500 °C and then processing it as an adsorbent for urea adsorption from synthetic urine. Since this adsorption approach based on fecal ash is a promising alternative for wastewater treatment, it increases...
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Resource constrained neural network training
PublikacjaModern applications of neural-network-based AI solutions tend to move from datacenter backends to low-power edge devices. Environmental, computational, and power constraints are inevitable consequences of such a shift. Limiting the bit count of neural network parameters proved to be a valid technique for speeding up and increasing efficiency of the inference process. Hence, it is understandable that a similar approach is gaining...
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Identification of novel psychoactive substances 25B-NBOMe and 4-CMC in biological material using HPLC-Q-TOF-MS and their quantification in blood using UPLC–MS/MS in case of severe intoxications
PublikacjaThis paper describes cases of poisoning caused by new psychoactive substances such as: 25BNBOMe (2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine) and 4-CMC (1-(4-chlorophenyl)-2-(methylamino)-1-propanone). The analytical procedure includes rapid and selective method for the extraction and determination of 4-CMC and 25B-NBOMe in blood samples using UPLC–MS/MS technique. To the best of our knowledge,this is...
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Introduction to MIP synthesis, characteristics and analytical application
PublikacjaOne of the trends in analytical chemistry is associated with designing and developing new types of sample preparation techniques, which might significantly increase the efficiency and selectivity of the analytes isolation or/and preconcentration process. One of the most widely employed solutions are selective sorption materials, defined as molecularly imprinted polymers (MIPs), as well as the sorbents with the molecular fingerprint....
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Detecting Honey Adulteration: Advanced Approach Using UF-GC Coupled with Machine Learning
PublikacjaThis article introduces a novel approach to detecting honey adulteration by combining ultrafast gas chromatography (UF-GC) with advanced machine learning techniques. Machine learning models, particularly support vector regression (SVR) and least absolute shrinkage and selection operator (LASSO), were applied to predict adulteration in orange blossom (OB) and sunflower (SF) honeys. The SVR model achieved R2 values above 0.90 for...
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Role of distillation in determination of SCFAs in samples of different origin
PublikacjaShort-chain fatty acids (SCFAs) are very volatile compounds and choosing an appropriate isolation and enrichement technique is a key to their determination. Distillation is one of methods which can be applied. There are many types of distillation. The simplest ones are direct, steam and fractional distillation, but they are not used very often and have some drawbacks. However, many modifications of basic distillation have been...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublikacjaBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Process control of air stream deodorization from vapors of VOCs using a gas sensor matrix conducted in the biotrickling filter (BTF)
PublikacjaThis article presents the validity, advisability and purposefulness of using a gas sensor matrix to monitor air deodorization processes carried out in a peat-perlite-polyurethane foam-packed biotrickling filter. The aim of the conducted research was to control the effectiveness of air stream purification from vapors of hydrophobic compounds, i.e., n-hexane and cyclohexane. The effectiveness of hydrophobic n-hexane and cyclohexane...
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Application of a Gas Sensor Array to Effectiveness Monitoring of Air Contaminated with Toluene Vapors Absorption Process
PublikacjaThis article demonstrates the application of a gas sensor array to monitor the effectiveness of the absorption process of air stream purification from odorous compounds (toluene vapors). A self-constructed matrix consisting of five commercially available gas sensors was used. Multiple linear regression (MLR) was selected as the statistical technique used to calibrate the matrice. Gas chromatography coupled with a flame ionization...
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES - PART I. CATIONIC COMPOUNDS = Oznaczanie Surfaktantów W Próbkach Środowiskowych. Część I. Związki Kationowe
PublikacjaCompounds from the group of cationic surfactants are widely applied in household, industrial, cleaning, disinfectant, cosmetic and pharmaceutical products as their specific properties (antimicrobial, emulsifying, anticorrosion, softening). After use, cationic surfactants are disposed to wastewater-treatment plants and finally with effluent water to surface waters due to their incomplete degradation. Moreover, they can freely circulate...
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Structure-rheology relationship of fully bio-based linear polyester polyols for polyurethanes - Synthesis and investigation
PublikacjaThe synthesis of polyols from renewable substances as an alternative for petrochemical-based polyols play important matter in the polyurethane industry. In this work, the fully bio-based linear polyester polyols with different catalyst amounts were synthesized via two-step polycondensation method. The effect of various catalyst content on the structure and rheological behavior were established. Fourier Transform Infrared Spectroscopy,...
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A novel methodology for the enantiomeric resolution of methamphetamine, its precursors and intermediates by GC-MS
PublikacjaImpurity profiling and classification of abused drugs using chiral analytical techniques is of particular interest and importance because of the additional information obtained from this approach. When these methods are applied to the synthesis of illicitly used substances, they can supply valuable information about the conditions/chemicals used in the synthesis. In this study, simultaneous chiral separation of methylamphetamine,...
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Capillary Electrophoresis in determination of short - chain carboxylic acids in aqueous samples
PublikacjaAnalysis of pollution is extremely important especially in areas directly adjacent tothe residential district. Studies show that short- chain carboxylic acids are a group ofcompounds widespread around sewage treatment plants, landfills, livestock farms. The mostcommon techniques for determination of short - chain carboxylic acids are chromatographictechniques, especially gas chromatography, whose main limitation is that only volatilemonocarboxylic...
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Improved Modeling of Microwave Structures Using Performance-Driven Fully-Connected Regression Surrogate
PublikacjaFast replacement models (or surrogates) have been widely applied in the recent years to accelerate simulation-driven design procedures in microwave engineering. The fundamental reason is a considerable—and often prohibitive—CPU cost of massive full-wave electromagnetic (EM) analyses related to solving common tasks such as parametric optimization or uncertainty quantification. The most popular class of surrogates are data-driven...
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES. PART II. ANIONIC COMPOUNDS
PublikacjaSurfactants (SAA) with negative charge of polar group are named as anionic compounds. They are main constituent of most products containing synthetic surfactants. The linear alkylbenzene sulfonates (LAS), alkyl ethoxysulfates (AES) and alkyl sulfates (AS) are typically applied from this class of compounds. Those surfactants are ingredients of household detergents and cleaners, laundry detergents, cosmetic. Moreover they can be...
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An improved scalable method of isolating asphaltenes
PublikacjaA new, improved and scalable procedure of asphaltene fraction isolation is presented and compared to standard test methods. The new procedure uses 1:40 feedstock to solvent (n-heptane) ratio (g/mL), filtration through a cellulosic thimble and extensive washing in a Soxhlet type extractor. The group type composition and purity of the asphaltene fractions have been examined using thin-layer chromatography with flame-ionization detection....
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Simultaneous Removal of Hexane and Ethanol from Air in a Biotrickling Filter—Process Performance and Monitoring Using Electronic Nose
PublikacjaBiofiltration is a well-accepted method for the removal of malodorous compounds from air streams. Interestingly, the mechanisms underlying this process are not fully understood. The aim of this paper was to investigate the simultaneous removal of hydrophobic hexane with hydrophilic ethanol, resulting in the enhanced removal of hexane in the presence of ethanol. Investigations were performed in a peat-perlite packed biotrickling...
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Comparative Greenness Evaluation
PublikacjaGreenness of analytical procedure is multivariable aspect as many greenness criteria should be taken into consideration. On the other hand, modern analytical chemistry offers dozens of analytical procedures, based on different sample preparation and final determination techniques that are used for the determination of a given analyte in a given matrix. For such complex decision-making processes, multi-criteria decision analysis...
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Characterization of home-made and regional fruit wines by evaluation of correlation between selected chemical parameters
PublikacjaSince the last decade of the 20th century, there has been rising interest in the production of fruit wines, as evidenced by the high number of published papers and books covering this matter. When aiming to produce quality fruit wines, it is essential to evaluate the analytical parameters of the beverage. In this context, there are a large number of analyses for the evaluation of wines and fruit wines. This article characterizes...
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Chemical insight into pros and cons of coffees from different regions
PublikacjaThe main aim of this work was to study the chemical composition of eighteen ground coffees from different countries and continents with regard to the content of hazardous substances as radioactive elements (40K, 226Ra, 228Ra, 234U, 238U and 137Cs), metals, including heavy metals, aluminum and some microelements (V, Cr, Mn, Fe, Co, Ni, Cu, Zn) as well as substances that have a positive effect on human health and well-being (polyphenols,...
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The Analysis of Vodka: A Review Paper
PublikacjaVodka is the most popular alcoholic beverage in Poland, Russia and other Eastern European countries, made from ethyl alcohol of agricultural origin that has been produced via fermentation of potatoes, grains or other agricultural products. Despite distillation and multiple filtering, it is not possible to produce 100 % ethanol. The solution with a minimum ethanol content of 96 %, which is used to produce vodkas, also contains trace amounts...
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Żółte barwniki organiczne w XIX-wiecznych farbach Jana Matejki - identyfikacja substancji barwiących, nośników, oraz wypełniaczy
PublikacjaNaturalne barwniki organiczne można znaleźć w wielu obiektach dziedzictwa kulturowego. Identyfikacja substancji barwiących obecnych w farbach historycznych dostarcza istotnych informacji dla wielu specjalistów zaangażowanych w naukę o sztuce. Identyfikacja składu farb pozwala na zastosowanie odpowiednich procedur dotyczących renowacji i konserwacji historycznych dzieł sztuki. Informacje te pozwalają na ich renowację zgodnie z decyzjami...
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A comprehensive review on Ginger (Zingiber officinale) as a potential source of nutraceuticals for food formulations: Towards the polishing of gingerol and other present biomolecules
PublikacjaCurrently, ginger is one the most consumed plants when dealing with the treatments of various illnesses. So far, it is known that various biologically active molecules, such as gingerols, shogaols and zingerone, among others, are the main responsible for specific biological activities, opening a new window for its utilization as a nutraceutical in foods. In pioneering extraction processes, solvent extraction has been initially...
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Development and evaluation of RADA-PDGF2 self-assembling peptide hydrogel for enhanced skin wound healing
PublikacjaBackground: Wound healing complications affect numerous patients each year, creating significant economic and medical challenges. Currently, available methods are not fully effective in the treatment of chronic or complicated wounds; thus, new methods are constantly sought. Our previous studies showed that a peptide designated as PDGF2 derived from PDGF-BB could be a promising drug candidate for wound treatment and that RADA16-I...
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Study on polymer modified road asphalt mixture
PublikacjaThe formulation of ternary asphalt-additives blend composed of crumb rubber : low-density polyethylene (CR : LDPE) and crumb rubber : textile fiber (CR : TF) couples, and quaternary asphalt additives-blend composed of (CR : LDPE : TF) triplets on the virgin asphalt to optimize the asphalt basic and rheological properties and to use the extrusion process of two or three additives to obtain composite materials of them, as well as...
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Thermo-oxidative exfoliation of carbon black from ground tire rubber as potential reinforcement in green tires
PublikacjaConsidering the balance between rapidly growing global tire demand and scarcity of natural resources, recycling and reclaiming techniques of tire rubber have become the state of the art. Herein, we set out to implement a self-designed thermo-oxidative reactor for the exfoliation of carbon black (CB) from ground tire rubber, which is efficiently functioned under a thermo-oxidative reclaiming condition without any additive. The exfoliation...
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The Influence of Different Hydrothermal Processes Used in the Preparation of Brussels Sprouts on the Availability of Glucosinolates to Humans
PublikacjaCruciferous vegetables represent a valuable source of bioactive compounds. However, there is currently a deficiency of information regarding the extent to which these compounds remain bioaccessible to the body following thermal treatment and digestion processes within the digestive tract. Accordingly, the aim of this study was to evaluate the impact of heat treatment and in vitro digestion on the level of selected bioactive compounds...
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Green monoterpenes based deep eutectic solvents for effective BTEX absorption from biogas
PublikacjaThe combustion of biogas which contains significant amounts of monoaromatic hydrocarbons, i.e. benzene, ethylbenzene, toluene, and xylene (BTEX) can cause many technological, environmental, and health problems. Therefore, in these studies, a new physical absorption method based on deep eutectic solvents (DES) consisting of monoterpenes and carboxylic acids was developed for BTEX removal. A total of 39 DES were synthesized, of which...
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Comprehensive methodology for Staphylococcus aureus lipidomics by liquid chromatography and quadrupole time-of-flight mass spectrometry
PublikacjaStaphylococcus aureus is a common pathogen known to cause relatively minor infections as well as severe disorders in humans. Although there is fair amount of published data concerning various aspects of its biology, epidemiology, genetics, etc., there is still a scarce amount of data presenting reliable and thorough investigations regarding high-throughput analysis of total S. aureus lipid content. Therefore, the aim of this study...
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Novel single-stranded DNA-binding protein from psyvhrophilic bacterium Psychrobacter arcticus
PublikacjaTo study the biochemical properties of SSB from Psychrobacter arcticus (ParSSB), we have cloned the ssb genes obtained by PCR and have developed Escherichia coli overexpression systems. The gene consists of an open reading frame of 642 nucleotides encoding SSB protein of 213 amino acids with a calculated molecular mass of 22.8 kDa. The amino-acid sequence of ParSSB exhibits 49% identity and 57% similarity to Escherichia coli SSB....
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Identification and characterization of the Indian Yellow dyestuff and its degradation products in historical oil paint tube by liquid chromatography mass spectrometry
PublikacjaAn analytical protocol for identification of dyes using reversed phase liquid chromatography-mass spectrometry with atmospheric pressure electrospray ionization (LC-ESI/MS) is presented. The developed method has been successfully applied in identification of euxanthic acid and euxanthone, the main components of the Indian Yellow dye in a historical oil paint tube produced by Richard Ain`es, a recognizable French company supplying...
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Simultaneous opto-electrochemical monitoring of carbamazepine and its electro-oxidation by-products in wastewater
PublikacjaThe growing human impact on aquatic environments, due to the extensive use of pharmaceuticals and the release of persistent pollutants, makes it necessary to implement new widespread methods for the characterisation and quantification of such contaminants and relative degradation products. Carbamazepine, 5H-dibenzo[b,f]azepine-5-carboxamide, (CBZ) is a widely used anti-epileptic drug, characterised by its limited removal by conventional...
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Empirical analysis of tree-based classification models for customer churn prediction
PublikacjaCustomer churn is a vital and reoccurring problem facing most business industries, particularly the telecommunications industry. Considering the fierce competition among telecommunications firms and the high expenses of attracting and gaining new subscribers, keeping existing loyal subscribers becomes crucial. Early prediction of disgruntled subscribers can assist telecommunications firms in identifying the reasons for churn and...
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Evaluation of the suitability of electronic nose based on fast GC for distinguishing between the plum spirits of different geographical origins
PublikacjaPlum spirits are obtained exclusively via the alcoholic fermentation and distillation of meaty plums or must composed of plums, with or without stones. The European countries such as Poland, the Slovak Republic, the Czech Republic, Bulgaria and Romania are the leading producers of this alcoholic beverage. Information about the authentication of plum spirits produced in different countries can be found in the published literature....
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Novel single-stranded DNA-binding proteins from extreme psychrophilic bacterium Psychromonas ingrahamii 37
PublikacjaWe report the identification and characterization of the single-stranded DNA binding protein (SSB) from extreme psychrophilic bacterium Psychromonas ingrahamii 37 (PinSSB) that grows expotentially at -12°C and may well grow at even lower temperatures. PinSSB is one of the largest known bacterial SSB protein consisting 222 amino acid residues with a calculated molecular mass of 25.1 kDa. The analysis by gel filtration chromatography...
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The Education of Analytical Chemists in Polish Universities
PublikacjaAnalytical Chemistry plays a very important role in the modern world. The main reasons are; the need of environmental monitoring, quality of food and water control, human health, quality of industrial production control, nanotechnologies and material science. Together with Inorganic Chemistry, Organic Chemistry and Physical Chemistry, Analytical Chemistry is a fundamental chemical course. The education of Analytical Chemists is...