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Search results for: on-line electrochemistry/mass spectrometry
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Electrochemical and in silico approaches for liver metabolic oxidation of antitumor-active triazoloacridinone C -1305
Publication5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) is a promising antitumor compound developed in our laboratory. A better understanding of its metabolic transformations is still needed to explain the multidirectional mechanism of pharmacological action of triazoloacridinone derivatives at all. Thus, the aim of the current work was to predict oxidative pathways of C-1305 that would reflect its phase I metabolism. The...
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Comparison of Two Methods for the Determination of Selected Pesticides in Honey and Honeybee Samples
PublicationDeveloped 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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Synergistic Effects of Bitumen Plasticization and Microwave Treatment on Short-Term Devulcanization of Ground Tire Rubber
PublicationGround tire rubber (GTR) was mechano-chemically modified with road bitumen 160/220 and subsequently treated using a microwave radiation. The combined impact of bitumen 160/220 content and microwave treatment on short-term devulcanization of GTR was studied by thermal camera, wavelength dispersive X-ray fluorescence spectrometry (WD-XRF), static headspace, and gas chromatography-mass spectrometry (SHS-GC-MS), thermogravimetric analysis...
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PTR-MS and electronic nose application for volatile fraction analysis of cigar tobacco
PublicationCigar consumers attach great importance to the quality of these products. At the same time, cigars are often expensive, so destructive analytical methods of quality control are not being desired. However, it has been found that there are many volatile organic compounds in their headspace. Because of that, proton transfer reaction–mass spectrometry and electronic nose were used to analyse it. The obtained results were used to distinguish...
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Analytical procedures for the determination of surfactants in environmental samples
PublicationBecause 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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The difficulties in polybrominated diphenyl ethers identification by GC-EI-MS technique
PublicationAwareness 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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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublicationNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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The potential of LC–MS technique in direct analysis of perfume content
PublicationPerfumes are products that consist of a wide range of natural and synthetic compounds. Due to complex composition, the determination of their ingredients is a difficult task. Most of the perfume components are either volatile or semi-volatile; however, most of the attention has been paid to volatile ones, and thus, gas chromatography or electronic noses are generally used. Nevertheless, in this study, liquid chromatography coupled...
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Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
PublicationRuthenium(II) complexes are lately of great scientific interest due to their chemotherapeutic potential asanticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamidederivatives and their four arene–ruthenium complexes. The title compounds were characterized with theapplication of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for newcomplexes DFT calculations...
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Real-time monitoring of the emission of volatile organic compounds from polylactide 3D printing filaments
PublicationEstablishing the emission profile of volatile organic compounds generated during fused deposition modeling 3D printing using polymer filaments is important in terms of both understanding the processes taking place during thermal degradation of thermoplastics, and assessing the user's exposure to potentially harmful volatiles. However, obtaining detailed, real-time qualitative and quantitative results poses a challenge. In this...
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Electron-impact ionization cross section of formic acid
PublicationExperimental electron-impact ionization cross sections of one of the simplest carboxylic acids, formic acid, are presented. The molecular target was studied in two independent experimental setups applying different methods: the total ion collection and the electron–impact mass spectrometry methods. Experimental data were taken at incident electron energies ranging from ionization threshold [11.31 eV; J.C. Traeger, Int. J. Mass...
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Determination of terpene profiles in potential superfruits
PublicationThe aim of this work was to characterize and compare the profiles of volatile terpenes in four potential superfruits. These profiles were determined using headspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography linked to time-of-flight mass spectrometry. The proposed technique allowed the separation and identification of 79 terpenes present in cape gooseberry, crabapple, cherry silver...
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Understanding the early-stage release of volatile organic compounds from rapeseed oil during deep-frying of tubers by targeted and omics-inspired approaches using PTR-MS and gas chromatography
PublicationDuring deep-frying, a plethora of volatile products is emitted with the fumes. These compounds could act as oil quality indicators and change the indoor air composition leading to health risks for occupants. The presented experiments focus on deep-frying of different tubers in rapeseed oil at different frying temperatures. Here, two scenarios for real-time monitoring of volatile organic compounds (VOCs) using proton transfer reaction...
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Nowe substancje psychoaktywne. Cz. I. Współczesna sytuacja narkotykowa
PublicationGwałtowny wzrost liczby substancji wprowadzanych na rynek narkotykowy został zaobserwowany już pod koniec lat dziewięćdziesiątych XX wieku. Każdego roku syntezowane są nowe substancje jako analogi już istniejących, a ich ilość systematycznie rośnie. Niejednokrotnie wprowadzenie niewielkiej zmiany w strukturze związku może spowodować znaczne zmiany ich właściwości fizykochemicznych oraz psychoaktywnych. Nowe substancje psychoaktywne...
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Isotope shifts of multipole lines of Pb I and Pb II
PublicationStudies of isotope shifts of three multipole lines between levels of the ground configuration 6s26p2 of Pb I, i.e.: 461.9 nm(1S0→3P1), 531.5 nm(1S0→3P2) and 733.2 nm(1D2→3P1), as well as 710.2 nm line (6s26p2P3∕2→6s26p2P1∕2) of Pb II are presented. We determined the isotope shifts between four stable isotopes: 204, 206, 207, 208. By the use of King plot analysis we were able to separate the mass and the field shifts. We found that...
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Environmental Fate of Two Psychiatric Drugs, Diazepam and Sertraline: Phototransformation and Investigation of their Photoproducts in Natural Waters
PublicationExperimental studies were conducted to investigate the photodegradation of diazepam and sertraline, two of the most frequently used psychiatric drugs, induced by xenon lamp irradiation, which overlap the sunlight spectra, and natural sunlight. Degradation kinetics was established indicating the occurrence of autocatalytic reactions. The application of liquid chromatography coupled to quadrupole time-of-flight mass spectrometry...
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Chromatographic and Spectroscopic Identification and Recognition of Natural Dyes, Uncommon Dyestuff Components, and Mordants: Case Study of a 16th Century Carpet with Chintamani Motifs
PublicationA multi-tool analytical practice was used for the characterisation of a 16th century carpet manufactured in Cairo. A mild extraction method with hydrofluoric acid has been evaluated in order to isolate intact flavonoids and their glycosides, anthraquinones, tannins, and indigoids from fibre samples. High-performance liquid chromatography coupled to spectroscopic and mass spectrometric detectors was used for the identification of...
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Determination of Pesticide Residues in Honey using the GC×GC-TOFMS Technique
PublicationIn this study, a QuEChERS method and gas chromatography coupled with time-of-flight mass spectrometry (GCxGC-TOFMS) was developed for rapid extraction and simultaneous determination of 12 pesticide residues in honey. The GCxGC-TOFMS method was validated according to the SANCO guidance in terms of linearity, selectivity, reproducibility and recovery. Regarding the results, recovery rates ranged between 70-120% with relative standard...
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Application of Headspace Solid-phase Microextraction with Poly(1-vinyl-3- Hexylimidazolium Chloride) Polymeric Ionic Liquid Coating using GC - MS to Determine Volatile Fatty Acids in Dairy Wastewater
PublicationVolatile fatty acids were determined in this study using headspace solid-phase microextraction (HS-SPME) with a poly(1-vinyl-3-hexylimidazolium chloride) polymeric ionic liquid coated fiber followed by gas chromatography - mass spectrometry. Experimental parameters such as extraction time and temperature, sample volume as well as desorption time and temperature were optimized. Detection limits of the method were in the range of...
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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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A fast and convenient method for analysis of collagen hydrolysis products Szybka i dogodna metoda analizy produktów hydrolizy kolagenu
PublicationPolypeptides produced by hydrolysis of collagen from minced animal hide and skin scraps were studied by mass spectrometry (MS) in conjunction with electrophoresis to det. their mol. mass. The degree of peptides ionisation was ca 50+. This allowed for observation of the large polypeptide chains with mass analyzers with a relatively low m/z range. The electrospray and atm. pressure photoionization techniques were used. The polypeptide...
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Studies on Silver Ions Releasing Processes and Mechanical Properties of Surface-Modified Titanium Alloy Implants
PublicationDispersed silver nanoparticles (AgNPs) on the surface of titanium alloy (Ti6Al4V) and titanium alloy modified by titania nanotube layer (Ti6Al4V/TNT) substrates were produced by the chemical vapor deposition method (CVD) using a novel precursor of the formula [Ag5(O2CC2F5)5(H2O)3]. The structure and volatile properties of this compound were determined using single crystal X-ray diffractometry, variable temperature IR spectrophotometry...
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Determination of the substances potentially allergenic in water
PublicationPersonal care chemicals are continuously released into environment through domestic and industrial wastewater, causing adverse effects on human health. Their presence can be detected in different environmental compartments. A group of chemicals included in most personal care products are the allergen fragrances. In the present work, simple and rapid methodology based on ultrasound-assisted emulsification-microextraction (USAEME)...
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Potential of novel atomic emission techniques as a tool for investigation of the possibilities of using industrial waste as additives in construction materials
PublicationNowadays, due to the global ecological crisis and ways to prevent a climate disaster, more and more attention is paid to green techno-logies and green Chemistry, which are part of the so-called “The Green Deal.” The main assumption is the optimization of the processes of producing necessary goods and the implementation of methods of managing postproduction waste in the least environmentally harmful manner. In the presented research,...
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Comprehensive two-dimensional gas chromatography for determination of the terpenes profile of blue honeysuckle berries
PublicationTerpenes are the main group of secondary metabolites, which play essential role in human. The establishment of the terpenes profile of berries of different blue honeysuckle cultivars was achieved by headspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (HS-SPME/GCGC-TOFMS). The berries were found to contain 44 terpenes identified by GCGC-TOFMS....
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Storing Matter’technique in SIMS depth profile analysis
PublicationSecondary ion mass spectrometry (SIMS) is a very useful technique for the analysis of layered systems. It is based on the primary ion beam sputtering of solids and mass analysis of the emitted secondary ions. A main limitation of this technique results from the direct quantitative analysis, since the ionization efficiency of a given atom is highly influenced by the neighbouring atoms at the surface. This phenomenon is known as...
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Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran
PublicationThe interactions of electrons with molecular systems under various conditions are essential to interdisciplinary research fields extending over the fundamental and applied sciences. In particular, investigating electron-induced ionization and dissociation of molecules may shed light on the radiation damage to living cells, the physicochemical processes in interstellar environments, and reaction mechanisms occurring in combustion...
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The use of HPLC-Q-TOF-MS for comprehensive screening of drugs and psychoactive substances in hair samples and several “legal highs” products
PublicationNon-targeted screening of drugs present in herbal products, known as “legal high” drugs and in hair as a biological matrix commonly used in toxicological investigations was accomplished with the use of high pressure liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). In total, 25 and 14 therapeutical drugs and psychoactive substances/metabolites were detected in investigated hair samples...
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Validated GC–MS method for determination of bisphenol a and its five analogues in dietary and nutritional supplements
PublicationBisphenol A (BPA) and its analogues showing structural and functional similarity to BPA are commonly applied in various industrial applications and thus are becoming ubiquitous in the environment. At the same time there is increasing scientific evidence that exposure to these chemicals may lead to adverse health effects in human and wildlife. In recent years dietary and nutritional supplements dedicated for athletes have become...
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Chemical and biological characterization of Ocimum basilicum L. phenolic extract and essential oil derived through ultrasound and microwave-assisted extraction techniques
PublicationPlant-derived bioactive molecules are increasingly utilized in food processing as natural additives, driven by a growing interest in healthier lifestyles. This trend has spurred industries to reformulate products to meet the demands of health-conscious consumers. This study investigates the phenolic extract and essential oil of O. basilicum L. obtained via ultrasound-assisted extraction and microwave-assisted extraction, respectively. Characterization...
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Polymeric metal‐containing ionic liquid sorbent coating for the determination of amines using headspace solid‐phase microextraction
PublicationThis study describes the design, synthesis, and application of polymeric ionic liquid sorbent coatings featuring nickel metal centers for the determination of volatile and semivolatile amines from water samples using headspace solidphase microextraction. The examined polymeric ionic liquid sorbent coatings were composed of two ionic liquid monomers (tetra(3-vinylimidazolium)nickel bis[(trifluoromethyl)sulfonyl]imide [Ni2+(VIM)4]...
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Exploration of optical fibres as a carrier for new benzene and toluene matrix-free reference materials
PublicationTo meet high expectations concerning precision and accuracy of reference materials, preparation of matrixfree reference materials using thermal decomposition-gas chromatography-mass spectrometry (TD-GC-MS) was proposed in this study. In the paper, the results obtained in preparation of the new reference materials for benzene and toluene are presented, based on the thermal decomposition technique of compounds chemically bound to...
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Determination of impurities in pharmaceutical products using LC-MS
PublicationPharmaceutical products can be contaminated by residues of solvents, reagents (used for the synthesis) or degradation products. Impurities in drug may pose a risk to human health and life, therefore analysis and identification of impurities in pharmaceutical products is veryimportant and inevitable.High performance liquid chromatography coupled with mass spectrometry (MS) is very useful technique for identification impurities in...
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Synthetic Principles Determining Local Organization of Copolyesters Prepared from Lactones and Macrolactones
PublicationA highly effective and facile technique for catalytic ring-opening copolymerization (cROP) of lactones viz. ε- caprolactone and ε-decalactone with ω-pentadecalactone is being described. The reactions were mediated by Zn- and Cabased tridentate Schiff base complexes and benzyl alcohol as initiator. The catalysts were successfully employed for the preparation of numerous block and random copolymers. To unravel the composition of...
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Synthesis, Antimicrobial and Mutagenic Activity of a New Class of d-Xylopyranosides
PublicationEight N-[2-(2′,3′,4′-tri-O-acetyl-α/β-d-xylopyranosyloxy)ethyl]ammonium bromides, a new class of d-xylopyranosides containing a quaternary ammonium aglycone, were obtained. Their complete structure was confirmed using NMR spectroscopy (1H, 13C, COSY and HSQC) and high-resolution mass spectrometry (HRMS). An antimicrobial activity against fungi (Candida albicans, Candida glabrata) and bacteria (Staphylococcus aureus, Escherichia...
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Preliminary Investigation on Auto-Thermal Extrusion of Ground Tire Rubber
PublicationGround tire rubber (GTR) was processed using an auto-thermal extrusion as a prerequisite to green reclaiming of waste rubbers. The reclaimed GTR underwent a series of tests: thermogravimetric analysis combined with Fourier-transform infrared spectroscopy (TGA-FTIR), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), and static headspace and gas chromatography-mass spectrometry (SHS-GC-MS) in order...
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Real-Time Volatilomics: A Novel Approach for Analyzing Biological Samples
PublicationThe use of the ‘omics techniques in environmental research has become common-place. The most widely implemented of these include metabolomics, proteomics, genomics, and transcriptomics. In recent years, a similar approach has also been taken with the analysis of volatiles from biological samples, giving rise to the so-called ‘volatilomics’ in plant analysis. Developments in direct infusion mass spectrometry (DI-MS) techniques have...
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New 2-[(4-Amino-6-N-substituted-1,3,5-triazin-2-yl)methylthio]-N-(imidazolidin-2-ylidene)-4-chloro-5-methylbenzenesulfonamide Derivatives, Design, Synthesis and Anticancer Evaluation
PublicationIn the search for new compounds with antitumor activity, new potential anticancer agents were designed as molecular hybrids containing the structures of a triazine ring and a sulfonamide fragment. Applying the synthesis in solution, a base of new sulfonamide derivatives 20–162 was obtained by the reaction of the corresponding esters 11–19 with appropriate biguanide hydrochlorides. The structures of the compounds were confirmed...
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CE-MS and GC-MS as “Green” and Complementary Methods for the Analysis of Biogenic Amines in Wine
PublicationTwo novel complementary analytical methods, namely an extraction-free capillary electrophoresis coupled to mass spectrometry (CE-MS) and direct immersion-solid-phase microextraction combined with gas chromatography-mass spectrometry (DI-SPME-GC-MS), have been developed and successfully applied for the determination of biogenic amines (BAs) in wine and fruit wine. They have been rigorously compared to each other in terms of various...
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Development and validation of a method for the simultaneous analysis of fatty acid ethyl esters, ethyl sulfate and ethyl glucuronide in neonatal meconium: application in two cases of alcohol consumption during pregnancy
PublicationAlcohol consumption during pregnancy constitutes one of the leading preventable causes of birth defects and neurodevelopmental disorders in the exposed children. Fatty acid ethyl esters (FAEEs), ethyl glucuronide (EtG) and ethyl sulfate (EtS) have been studied as potential biomarkers of alcohol consumption. However, most analytical approaches proposed for their analysis in meconium samples consist of separated extraction procedures...
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Matrix solid-phase dispersion (MSPD) as simple and useful sample preparation technique for determination of polybrominated diphenyl ethers (PBDEs) in dust
PublicationIn the present study a novel analytical procedure for the determination of polybrominated diphenylethers in dust samples was developed.The main aim of the research was the selection of the optimum conditions of the matrix solid-phasedispersion before thefinal determination of polybrominated diphenyl ethers in dust samples. In order toassess the best usefulness of this technique, a favourable ratio of sample amount to the mass ofdispersing...
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Analysis
PublicationNew food products and diverse formulations containing the regulated steviol glycoside(s) as well as Stevia extracts or Stevia leaves have been brought on the global market. The upcoming multitude of such food products, but also their falsification and adulteration, does have impact on food analysis. Robust high-throughput methods that cope with different food matrices are required for food control to ensure food safety. The analysis...
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Trade differentiation and the characteristics of new imported and exported products - international panel data analysis
PublicationDrawing on o large panel of international economies we have shown how the set of imported and exported products evolves in economic growth process. Strong activity at the extensive margin, manifested through the rise in the number of active export and import lines, is typical for early stages of development. Trade diversification tendency, typical for a predominant mass of observations in our panel, is associated with changes in...
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A headspace solid-phase microextraction method development and itsapplication in the determination of volatiles in honeys by gas chromatography
PublicationThe first part of the paper presents the detailed optimisation of all steps of the determination procedureof volatiles from Polish honeys by headspace solid-phase microextraction (HS-SPME) as the sample preparationmethod and gas chromatography/mass spectrometry (GC-MS) as the method of final determination.The methodology of semi-quantative analysis allowed the isolation and identification of volatile fractioncompounds from popular...
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Fabrication and photoactivity of organic-inorganic systems based on titania nanotubes and PEDOT containing redox centres formed by different Prussian Blue analogues
PublicationHerein, the heterojunction composed of an inorganic substrate: ordered hydrogenated titania nanotubes (H-TiO2NTs) and a deposited organic film: poly(3,4-ethylenedioxythiophene) (PEDOT) is reported. The conducting polymer is modified with different transition metal haxacyanoferrates (Mehcf), wherein as metal: copper, iron, cobalt and nickel are introduced. The presence of various metal centres provides characteristic redox activity...
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Determination of Terpene Profile in Cape gooseberry (Physalis peruviana L.) with Use of HS-SPME/GCxGC-TOFMS Method
PublicationFresh fruits and products made of them, especially fruit juice, provide the basic energetic substances (simple and complex sugars) and are a source of health beneficial vitamins, macro and microelements, antioxidants and compounds which are classified together with essential oils (for example terpenes), which positively affect human s health. The terpenes profile of cape gooseberry was determined by headspace solid--phase microextraction...
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Pesticide residues levels in honey from apiaries located of Northern Poland
PublicationConcentration levels of 30 pesticide residues were measured in honey samples collected from apiaries in northern part of Poland (Pomerania) using method based on the QuEChERS extraction followed by liquid chromatography-tandem mass spectrometry with electron spray ionization (LC-ESI-MS/MS). In 29% of the samples were found positive for at least some of the target compounds. Concentration of bifenthrin, fenpyroximate, methidathion,...
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Occurrence and Levels of Biogenic Amines in Beers Produced by Different Methods
PublicationThe concentration of biogenic amines (BAs) in beer depends, among other factors, on the activity of microorganisms, in particular lactic acid bacteria. In this work an analytical method based on derivatization with tosyl chloride and high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) was used to determine 17 BAs in samples of commercially available beers, and to monitor the changes in concentration of...
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Application of ultrasound-assisted solvent extraction of porous membrane packed liquid samples for polyphenols determination in wine samples
PublicationPolyphenols play a crucial role in a proper human health maintenance as well as their presence very often correspond to the quality assessment of producs like wine. Thus, their monitoring is of high interest. However, as they occur in a complex matrices their extraction is very often necessary prior the analysis. Herein, a new ultrasound-assisted solvent extraction of porous membrane packed liquid sample technique has been optimized...
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Role of Silicon in Counteracting Cadmium Stress in Pea Plants (Pisum sativum L.): Insights Into Cadmium Binding Mechanisms and Pectin Methylesterase Activity
PublicationPurpose: The aim of this study was to investigate the role of silicon (Si) in counteracting a cadmium (Cd) stress to pea plants (Pisum sativum L.) and to identify the mechanism by which Cd is bound within pea roots. Methods: These goals were achieved through (i) a histochemical study of Cd localization in pea roots, (ii) spectrophotometric determination of pectin content and the activity...