Wyniki wyszukiwania dla: analytical chemistry
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Expectation-Maximization Model for Substitution of Missing Values Characterizing Greenness of Organic Solvents
PublikacjaOrganic solvents are ubiquitous in chemical laboratories and the Green Chemistry trend forces their detailed assessments in terms of greenness. Unfortunately, some of them are not fully characterized, especially in terms of toxicological endpoints that are time consuming and expensive to be determined. Missing values in the datasets are serious obstacles, as they prevent the full greenness characterization of chemicals. A featured...
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Modulated crystal structures - periodicity in more than three dimensions
PublikacjaThe initial definition of a crystal was that it is an object with flat faces. When diffraction studies were developed it turned out that crystal consists of a highly ordered particles and it is possible to isolate a small unique part of their structure - a unit cell - and the definition has been changed to rely on this fact. Nowadays by a crystal we mean any solid having an essentially discrete diffraction diagram. It is because...
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What is in a name: Defining “high entropy” oxides
PublikacjaABSTRACT High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these materials are bringing together scientists and engineers from physics, chemistry, and materials science. The diversity of each of these disciplines comes with perspectives and jargon that may be confusing to those outside of the individual fields,...
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Structural and Material Determinants Influencing the Behavior of Porous Ti and Its Alloys Made by Additive Manufacturing Techniques for Biomedical Applications
PublikacjaOne of the biggest challenges in tissue engineering is the manufacturing of porous structures that are customized in size and shape and that mimic natural bone structure. Additive manufacturing is known as a sufficient method to produce 3D porous structures used as bone substitutes in large segmental bone defects. The literature indicates that the mechanical and biological properties of scaffolds highly depend on geometrical features...
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Botanical and geographical origin characterization of polish honeys by headspace SPME-GCxGC-TOFMS
PublikacjaVolatile organic compounds (VOCs) composition of Polish honeys obtained from various geographical regions was studied. Headspace solid phase microextraction (HS-SPME) using Divinylbenzene/Carboxen/Polydimethylsiloxane-coated fibers was used in combination with comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC× GC-TOFMS) because of the complexity of the samples. Acacia, linden, rapeseed, buckwheat...
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Novel Functionalization of Boron-Doped Diamond by Microwave Pulsed-Plasma Polymerized Allylamine Film
PublikacjaWe report the novel modification of a hydrogen-terminated polycrystalline boron-doped electrode with a microwave pulsed-plasma polymerized allylamine. Boron-doped diamond (BDD) was coated with a very thin layer of adherent cross-linked, pinhole- and additive-free allylamine plasma polymer (PPAAm) resistant to hydrolysis and delamination and characterized by a high density of positively charged amino groups. The pulsed microwave...
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New Procedures for Control of Industrial Effluents Treatment Processes
PublikacjaThis work presents the procedures for monitoring volatile organic compounds during treatment of industrial effluents. The investigation was carried out for a specific effluent—caustic effluent from bitumen production. The developed procedures enable more detailed control of the effectiveness of wastewater treatment than standard procedures. Caustic effluents from bitumen production have a complex physicochemical form and consist...
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Dew Formation and Chemistry Near a Motorway in Poland
PublikacjaIn this study, the influence of traffic intensity on dewformation efficiency and chemistry is presented. The measurementswere conducted near the A4 motorway in SW Poland in almost flatland relief with intense agricultural activity. The dew/hoarfrost wascollected by means of insulated plain passive radiative condensersat three sites: AN and AS located in the close vicinity of themotorway (30 m) on the opposite sides of the road,...
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Bibliometric analysis and literature review of ultrasound-assisted degradation of organic pollutants
PublikacjaUltrasound as a clean, efficient, and cheap technique gains special attention in wastewater treatment. Ultrasound alone or coupled with hybrid processes have been widely studied for the treatment of pollutants in wastewater. Thus, it is essential to conduct a review about the research development and trends on this emerging technique. This work presents a bibliometric analysis of the topic associated with multiple tools such as...
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Indoor air quality in public utility environments-a review
PublikacjaIndoor air quality has been the object of interest for scientists and specialists from the fields of science such as chemistry, medicine and ventilation system design. This results from a considerable number of potential factors, which may influence the quality of the broadly understood indoor air in a negative way. Poor quality of indoor air in various types of public utility buildings may significantly affect an increase in the...
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A large family of filled skutterudites stabilized by electron count
PublikacjaThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
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Selective adsorption of BTEX on calixarene-based molecular coordination network determined by 13C NMR spectroscopy
PublikacjaBenzene, toluene, ethylbenzene, and xylenes (BTEX), a class of volatile organic compounds, are harmful pollutants but also very important precursors in organic industrial chemistry. Among different approaches used for the BTEX treatment, the adsorption technology has been recognized as an efficient approach because it allows to recover and reuse both adsorbent and adsorbate. However, the selective adsorption of the components is...
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Synthesis, Structure and Properties of Poly(ester-Urethane-Urea)s Synthesized Using Biobased Diamine
PublikacjaModern polymer science and technology is focused on the development of partial or fully green polymers. This focus is related to green chemistry trends, which propose using natural and renewable resources as monomers in the synthesis of polymers. In this study, biobased diamine was used as a chain extender of ester-urethane prepolymer. Obtained poly(ester-urethane-urea) contains 16 wt% of biobased diamine. There is mention of an...
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublikacjaWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Reduced Graphene Oxide Joins Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublikacjaNovel carbon nanomaterials such as reduced graphene oxide (rGO) and graphene oxide (GO) can be easily incorporated into the undergraduate curriculum to discuss basic chemistry and nanotechnology concepts. This paper describes a laboratory experiment designed to study the differences between GO and rGO regarding their physico-chemical properties (e.g. color, hydrophobicity, type of functional groups, electrical conductivity etc.)....
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Polyurethanes
PublikacjaHandbook of Thermoset Plastics, Fourth Edition provides complete coverage of the chemical processes, manufacturing techniques and design properties of each polymer, along with its applications. This new edition has been expanded to include the latest developments in the field, with new chapters on radiation curing, biological adhesives, vitrimers, and 3D printing. This detailed handbook considers the practical implications of using...
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Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics
PublikacjaIonic 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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Preparation and characterisation of iron substituted Mn1.7Cu1.3-xFexO4 spinel oxides (x = 0, 0.1, 0.3, 0.5)
PublikacjaSpinel oxides with the general formula Mn1.7Cu1.3-xFexO4 (x= 0, 0.1, 0.3, 0.5) were prepared and evaluated in this work for their properties at high temperatures. The effect of partially substituting Cu by Fe has not been studied so far for this group of materials and is thus evaluated in this work. Mn1.7Cu1.3-xFexO4 powders were synthesised by a soft chemistry process and studied in terms of crystallographic phase analysis, electrical...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublikacjaThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Towards an integrated assessment of environmental and human health impact of energy sector in Poland
PublikacjaReferat prezentuje system zintegrowanej oceny wpływu sektora energetycznego na stan środowiska i zdrowie ludzkie w Polsce. W podejściu wykorzystano kombinację modelu transportu zanieczyszczeń w powietrzu POLAIR 3D z modelem informacyjno-symulacyjnym RAINS. Model oszacowuje emisje i koncentracje zanieczyszczeń powietrza, koszty kontroli emisji zanieczyszczeń i inne koszty związane z różnymi scenariuszami rozwoju sektora energetycznego.The...
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Spatial characterization of H 2: CH 4 dissociation level in microwave ECR plasma source by fibre-optic OES
PublikacjaSpatially resolved optical emission spectroscopy (SR-OES) was used to investigate microwave activated H2/Ar/CH4 plasma under conditions of the electron cyclotron resonance (ECR). The chemistry and composition of the gas phase were studied using self-designed fibre-optic system with echelle type spectrometer during CVD deposition of polycrystalline diamond. One-dimensional intensity profiles of the main species were collected along...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Water and chemical properties of hydrometeors over central european mountains
PublikacjaAtmospheric pollutants are transferred to the groundby the contribution of various types of hydrometeors. Because ofthe different techniques of measurement, comparative analysesbetween them are often neglected. Hence, the main goal is tocompare water volume and chemistry of different types ofhydrometeors and their role in both: water balance and pollutantsdeposition. The results of water input and atmospheric depositschemistry...
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Potential applications of crude glycerol in polymer technology–Current state and perspectives
PublikacjaThe increasing use of bio-based fuels and fuel additives, among them biodiesel, causes significant surplus of crude glycerol on the market which creates new challenges in terms of its sustainable utilization. A lot of ways for the incorporation of this by-product into different branches of industry requires purification by expensive and complicated processes. Therefore, researchers are seeking for applications of untreated crude...
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Phosphoroorganic Metal Complexes in Therapeutics
PublikacjaThe present mini-review highlights recent developments on antitumor activity of metal-based therapeutics which have been a subject of researches for the last few decades. In 1965, Rosenberg found that during an electrolysis on platinum electrodes a complex of Pt is generated which inhibited to a great extent a binary fission in Escherichia coli bacteria. This discovery started a new chapter in medicinal chemistry and the interesting...
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Modeling the global atmospheric transport and deposition of mercury to the Great Lakes
PublikacjaMercury contamination in the Great Lakes continues to have important public health and wildlife ecotoxicology impacts, and atmospheric deposition is a significant ongoing loading pathway. The objective of this study was to estimate the amount and source-attribution for atmospheric mercury deposition to each lake, information needed to prioritize amelioration efforts. A new global, Eulerian version of the HYSPLIT-Hg model was used...
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Properties and Formation of Mineralized Veins in an Organic-Rich Shale Formation
PublikacjaAn earlier paper defined mineral and organic matter constituents in weak interfaces in shale formations (Ptaszynska, et. al., 2016). The formation studied in the earlier work and here is the Jurassic, early-Cretaceous Vaca Muerta formation in the Neuquen basin in Argentina. In this earlier work, mineralized "veins" were noted to be prevalent and complicated, sometimes being shear weak interfaces while in other cases they were not....
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Quality Model for Integrated Security Monitoring and Control in Water Distribution Systems
PublikacjaThis article addresses the problem of drinking water distribution system (DWDS) security in the terms of water quality which in the era of terrorist threat is of high importance to the public. The contribution of this paper is the development of the so called security module to extend a multi-species water quality model. This gives an insight to the situation in DWDS not only under normal operational conditions but also in case...
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Chitin and derivative chitosan-based structures — Preparation strategies aided by deep eutectic solvents: A review
PublikacjaThe high molecular weight of chitin, as a biopolymer, challenges its extraction due to its insolubility in the solvents. Also, chitosan, as the N-deacetylated form of chitin, can be employed as a primary material for different industries. The low mechanical stability and poor plasticity of chitosan films, as a result of incompatible interaction between chitosan and the used solvent, have limited its industrialization. Deep eutectic...
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Organic syntheses greenness assessment with multicriteria decision analysis
PublikacjaGreen chemistry requires a metrics system that is comprehensive by the criteria included and simple in the application at the same time. We propose the application of multicriteria decision analysis for com- parative greenness assessment of organic synthesis procedures. The assessment is based on 9 criteria (the reagent, reaction efficiency, atom economy, temperature, pressure, synthesis time, solvent, catalyst and reactant) for...
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Determination of Surfactants in Environmental Samples. Part III. Non-Ionic Compounds
PublikacjaNon-ionic surface active agents are a diverse group of chemicals which have an uncharged polar head and a non-polar tail. They have different properties due to amphiphilic structure of their molecules. Commercial available non-ionic surfactants consist of the broadest spectrum of compounds in comparison with other types of such agents. Typically, non-ionic compounds found applications in households and industry during formulation...
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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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The content of high-intensity sweeteners in different categories of foods available on the Polish market
PublikacjaThe objective of this study was to measure the concentrations of nine high-intensity sweeteners (acesulfame-K, aspartame, alitame, cyclamate, dulcin, neohesperidin DC, neotame, saccharin and sucralose) in different categories of food available on the Polish market. Over 170 samples of different brands of beverages, yoghurts, fruit preparations, vegetable preserves and fish products were analysed using an analytical procedure based...
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The Mesoporous Porphyrinic Zirconium Metal-Organic Framework for Pipette-Tip Solid-Phase Extraction of Mercury from Fish Samples Followed by Cold Vapor Atomic Absorption Spectrometric Determination
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Reporter Fluorescent Molecules in Biological Systems: The Current Overview
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Different Aspects of the Elemental Analysis of Honey by Flame Atomic Absorption and Emission Spectrometry: A Review
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HPLC–DAD Analysis, Antimicrobial and Antioxidant Properties of Aromatic Herb Melissa officinalis L., Aerial Parts Extracts
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Authenticity Assessment of the "Onisiówka" Nalewka Liqueurs Using Two-Dimensional Gas Chromatography and Sensory Evaluation
PublikacjaThe “Onisiówka” nalewka liqueur is a regional Polish alcoholic beverage, which is inscribed on the list of regional and traditional products of the Ministry of Agriculture and Rural Development in Poland. It is produced from multiflower honey, black elderberry flower syrup, and spirit. Due to fact that the “Onisiówka” nalewka liqueur has never been investigated, these studies are the foundation for further work on this regional...
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Differentiation Between Spirits According to Their Botanical Origin
PublikacjaAgricultural distillates are used for the production of spirit beverages. As more and more products with a specific botanical composition specified on the label are produced (e.g. rye vodkas, wheat vodkas and Polish Vodka, which cannot be produced with the addition of maize distillate), it is necessary to look for quicker and more accurate methods allowing the determination of botanical origin of alcoholic beverages and materials...
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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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Simultaneous Determination of Indolic Compounds in Plant Extracts by Solid-Phase Extraction and High-Performance Liquid Chromatography with UV and Fluorescence Detection
PublikacjaA high-performance liquid chromatographic method with UV and fluorescence detection (HPLC-DAD-FLD) was developed for simultaneous determination of indolic compounds in plant material. Indole-3-carbinol (I3C), indole-3-acetic acid (I3AA), indole-3-acetonitrile (I3ACN), and 3,3′-diindolylmethane (DIM) were used as representative compounds that cover a wide spectrum of indole structures occurring in nature. For concentration and purification...
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Application of Ion Chromatography for the Determination of Inorganic Ions, Especially Thiocyanates, in Human Semen Samples as Biomarkers of Environmental Tobacco Smoke Exposure.
PublikacjaPalenie tytoniu stanowi istotne źródło zanieczyszczenia powietrza wewnętrznego. Szkodliwość palenia tytoniu potwierdzają zarówno badania doświadczalne, jak i opracowania epidemiologiczne. Celem przeprowadzonych prac badawczych było uzyskanie informacji o poziomie zawartości jonów nieorganicznych, a zwłaszcza jonów rodankowych (jako biomarkerów narażenia na szkodliwe składniki obecne w środowiskowym dymie tytoniowym) w próbkach...
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Indirect Determination of MCPD Fatty Acid Esters in Lipid Fractions of Commercially Available Infant Formulas for the Assessment of Infants’ Health Risk
PublikacjaMCPD esters are intensively investigated food lipid contaminants for over a decade. Concern related to their presence in various types of food products is related to the fact that possible free MCPD release from its esterified form during digestion may lead to elevated daily intake of these toxicants.Special attention should be devoted into powdered infant formulas, which contain significant amounts of refined vegetable oils, likely...
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Application of Electronic Nose Based on Fast GC for Authenticity Assessment of Polish Homemade Liqueurs Called Nalewka
PublikacjaThe possibility of application of electronic nose based on fast GC for differentiation of three types of cherry liqueurs, namely Polish homemade liqueurs called nalewka, commercially available liqueurs labeled as nalewka, and commercial liqueurs, was investigated. This device was equipped with two parallel connected columns with different stationary phases coupled to two ultrasensitive flame ionization detectors (μ-FIDs). Four...
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Rapid Evaluation of Poultry Meat Shelf Life Using PTR-MS
PublikacjaThe use of proton transfer reaction mass spectrometry (PTR-MS) for freshness classification of chicken and turkey meat samples was investigated. A number of volatile organic compounds (VOCs) were selected based on the correlation (> 95%) of their concentration during storage at 4 °C over a period of 5 days with the results of the microbial analysis. In order to verify if the selected compounds are not sample-specific, a number...
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Complementary Use of Multi-dimensional Gas Chromatography and Proton Transfer Reaction Mass Spectrometry for Identification of Rapeseed Oil Quality Indicators
PublikacjaThe change of concentration of various volatiles generated during frying may be an indicator of oil quality. Chemical compounds such as aldehydes, ketones, alcohols and carboxyl acids are the products of oxidation during thermal degradation of edible oils. Shown in this work is a complementary use of GC×GC-TOFMS and PTR-MS for the detection and determination of quality indicators of rapeseed oil. The former technique was used for...
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Size Exclusion Coupled to Reversed Phase Liquid Chromatography for the Characterization of Cranberry Products
PublikacjaA combination of solvent extraction, size exclusion purification, and reversed-phase liquid chromatography with UV absorption and fluorescence detection was here used for the determination of flavan-3-ols and related oligomeric compounds in cranberry products. The method relied on robust, simple, and inexpensive instrumental equipment present in most of routine analytical laboratories. Sample extracts in methanol/water/hydrochloric...
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Detection of Bioactive Compounds in Organically and Conventionally Grown Asparagus Spears
PublikacjaIn the recent reports, there are contradictory conclusions about the nutritional and health properties of organic and conventionally growing vegetables. We hypothesized that organic cultivation system results in higher quality of asparagus (Asparagus officinalis L.) because of organic manure and effective organisms. Therefore, new analytical methods were applied in order to find the differences in bioactive compounds between the...
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Fatal N-Ethylhexedrone Intoxication
PublikacjaN-Ethylhexedrone [2-(ethyloamino)-1-phenylhexan-1-one; α-ethylaminohexanophenone; NEH] is one of the most recent synthetic cathinones that appeared on the illegal market in late 2015. The majority of information concerning the model of consumption of NEH and its impact on the body originates only from self-reports from grey literature websites and drug forums. There are only limited data associated with the concentrations of NEH...