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Search results for: RP-HPLC- Q-TOF-MS,HILIC-Q-TOF-MS,PERFUME
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The use of RP-HPLC–Q-TOF–MS as a powerful tool for wastewater composition profiling and selection of water pollution marker specific to wastewater contamination
PublicationLimited drinking water resources and water pollution are one of the main worldwide problems. To reduce the consumption of fresh water resources, the use of treated wastewater has been proposed. The farmlands have been irrigated with wastewater for centuries, but the composition of used sewage has changed over the years. Recent research has revealed the presence of hundreds of new organic contaminants in many environmental waters,...
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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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High resolution liquid chromatography and time of flight mass spectrometry in perfume analysis
PublicationPerfumes consist of a wide range of natural and synthetic compounds that belongs to different chemical classes. Most of these compounds are generally determined by GC. However, in this study RP-HPLC-Q-TOF-MS and HILIC-Q-TOF-MS technique was applied for the determination of ingredients of original perfumes and their imitations. Antioxidants and compounds specific to fragrances of animal \origin were found in original...
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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
PublicationThis 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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A method for a comprehensive lipidomic analysis of flaxseed (Linum usitatissimum) with the use of LC–Q-TOF-MS and dispersive micro-solid-phase (μDSPE) extraction
PublicationFlaxseed (FS) is one of the richest sources of α-linolenic acid oil and lignans, and it is suggested that the consumption of flaxseed may contribute to the prevention of certain chronic diseases such as many types of cancer, diabetes, cardiovascular diseases and cerebrovascular stroke. Here, we demonstrate a new method for comprehensive FS lipidome profiling with the use of LC–Q-TOF-MS and dispersive micro-solid-phase extraction....
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A comprehensive lipidomic analysis of oilseeds using LC-Q-TOF-MS and dispersive micro-solid phase (D-μ-SPE) extraction techniques
PublicationGrowing public health awareness increased the demand for natural products with positive health benefits. Vegetable oils containing omega-3 fatty acids (FA) such as alpha-linolenic acid (ALA) has been proposed as a possible source of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). In this work, a comprehensive lipidome analysis and comparison of seven oilseeds, including flaxseed, chia, hemp, black cumin, white sesame,...
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Open Research DataAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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Rapid Characterization of the Human Breast Milk Lipidome Using a Solid-Phase Microextraction and Liquid Chromatography-Mass Spectrometry-Based Approach.
PublicationHuman breast milk (HBM) is a biofluid consisting of various biomolecules such as proteins, lipids, carbohydrates, minerals and bioactive substances. Due to its unique and complex composition, HBM provides not only nutritional components required for the growth of the infant, but also additional protection against infections. Global insight into the composition of HBM is crucial to understanding the health benefits infants receive...
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Agnieszka Potęga dr inż.
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Comprehensive methodology for Staphylococcus aureus lipidomics by liquid chromatography and quadrupole time-of-flight mass spectrometry
PublicationStaphylococcus 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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Advances in mass spectrometry for iron speciation in plants
PublicationIron is an important nutrient essential for plants and critical for human health. The state-of-the art of methods for iron speciation in cereal grains and plant fluids is critically reviewed. Particular attention is given to the latest developments in the coupling of HPLC with the parallel ICP MS and electrospray ionization (ESI) MS/MS detection, usually QTOF MS or Q-Orbitrap MS, for the identification and quantification of iron...
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Forced Degradation Studies of Ivabradine and In Silico Toxicology Predictions for Its New Designated Impurities
PublicationAll activities should aim to eliminate genotoxic impurities and/or protect the API against degradation. There is a necessity to monitor impurities from all classification groups, hence ivabradine forced degradation studies were performed. Ivabradine was proved to be quite durable active substance, but still new and with insufficient stability data. Increased temperature, acid, base, oxidation reagents and light were found to cause...
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Development of chromatographic and mass spectrometry conditions for untargeted lipidomic analysis of human breast milk
PublicationHuman breast milk (HBM) is a complex biofluid containing components which are essential for the proper growth of the newborn (for example nutrients such as carbohydrates, proteins, lipids) and also bioactive substances. According to the literature, most of studies involving HBM nutrients investigations focused essentially on the determination of proteins. The molecular composition of lipids in HBM is not well known as the protein...
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Forced degradation studies of ivabradine and in silico toxicology predictions for its new designated impurities
PublicationAll activities should aim to eliminate genotoxic impurities and/or protect the API againstdegradation. There is a necessity to monitor impurities from all classification groups,hence ivabradine forced degradation studies were performed. Ivabradine was provedto be quite durable active substance, but still new and with insufficient stability data.Increased temperature, acid, base, oxidation reagents and...
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Lipidomics of Staphylococcus aureus – a new insight into the antibiotic resistant phenotype
PublicationStaphylococcus aureus is an aggressive pathogen responsible for a variety of diseases, in cluding life-threatening sepsis. Many strains of these bacteria are resistant to multiple classes of antibiotics, which is a substantial clinical problem in the treatment of S. aureus infections. We developed a comprehensive untargeted lipidomic workflow, including sample preparation, liquid chromatography-quadrupole-time-of-flight mass spectrometry...
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Direct injection liquid chromatography-mass spectrometry (DI-LC-MS) analysis for rapid lipidomic profiling of extracellular vesicles
PublicationExtracellular vesicles (EVs) are small, spherical particles produced by eukaryotic and prokaryotic cells, surrounded by a bilayer membrane and carrying various bioactive molecules, such as proteins, surface receptors, membrane and soluble proteins, lipids, and nucleic acids. EVs are of substantial interest because of their important roles in cell communication, epigenetic regulation and possible application in disease diagnosis...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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The Influence of Storage on Human Milk Lipidome Stability for Lipidomic Studies
PublicationHuman milk (HM) lipidome stability during storage is crucial in lipidomic studies to avoid misinterpretations. Facing the lack of comprehensive work on the HM lipidome stability, we performed a study on a potential alteration in the lipid profiles of HM samples stored under different conditions. An untargeted LC-Q-TOF-MS-based approach was applied to study the influence of storage conditions as well as the interaction of the storage...
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Analytical studies on ascosin, candicidin and levorin multicomponent antifungal antibiotic complexes. The stereostructure of ascosin A2
PublicationIn the class of polyene macrolides, there is a subgroup of aromatic heptaenes, which exhibit the highest antifungal activity within this type of antibiotics. Yet, due to their complex nature, aromatic heptaenes were not extensively studied and their potential as drugs is currently underexploited. Moreover, there are many inconsistencies in the literature regarding the composition and the structures of the individual components...
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Comparative Lipidomic Study of Human Milk from Different Lactation Stages and Milk Formulas
PublicationIn this report, we present a detailed comparison of the lipid composition of human milk (HM) and formula milk (FM) targeting different lactation stages and infant age range. We studied HM samples collected from 26 Polish mothers from colostrum to 19 months of lactation, along with FM from seven brands available on the Polish market (infant formula, follow-on formula and growing-up formula). Lipid extracts were analysed using liquid...
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Chromatographic separation, determination and identification of ecdysteroids: Focus on Maral root (Rhaponticum carthamoides, Leuzea carthamoides )
PublicationThe review presents general principles for choosing optimal conditions for ecdysteroid separation, identification, and isolation using HPLC/TLC techniques in RP, NP- HILIC or NP modes. Analytics of ecdyteroids pose a still insufficiently resolved problem. Plant-derived ecdysteroids are a point of interest of pharmaceutical industry and sport medicine due to their postulated adaptogenic and anabolic properties. In insects, ecdysteroids...
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Lipid fingerprinting of Staphylococcus aureus strains by High Performance Liquid Chromatography coupled with Mass Spectrometry (LC-Q-TOF-MS) and advanced chemometric tools.
ProjectsProject realized in Department of Analytical Chemistry according to UMO-2014/13/N/ST4/03899 agreement from 2015-02-18
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Drug-drug interaction potential of antitumor acridine agent C-1748: The substrate of UDP-glucuronosyltransferases 2B7, 2B17 and the inhibitor of 1A9 and 2B7
PublicationBackground The compound 9-(2′-hydroxyethylamino)-4-methyl-1-nitroacridine (C-1748), the promising antitumor agent developed in our laboratory was determined to undergo phase I metabolic pathways. The present studies aimed to know its biotransformation with phase II enzymes – UDP-glucuronosyltransferases (UGTs) and its potential to be engaged in drug-drug interactions arising from the modulation of UGT activity. Methods UGT-mediated...
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Determination of odour concentration by TD-GC×GC–TOF-MS and field olfactometry techniques
PublicationField 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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Complementary use of GCxGC–TOF–MS and statistics for differentiation of variety in biosolid samples
PublicationFormation of biosolid cakes, which are one of the main wastes generated in wastewater treatment plants, is connected with emission of many hazardous chemical compounds, including odoriferous ones. To optimize particular processes of biosolid cake processing, it is necessary to assess chemical composition of the gas mixtures containing the compounds released from the cakes. The paper proposes application of two-dimensional gas chromatography...
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RP-HPLC WITH DETECTION BY MEANS OF ESI-MS AND UV FOR IDENTIFICATION OF CHROMATOGRAPHIC PEAKS OF SOME HYDROXY DERIVATIVES OF EPOXY RESIN
PublicationThe composition of products synthesized on the basis of ED-24 epoxy resin has been studied using a reversed phase high-performance liquid chromatography followed by an electrospray ionization mass spectrometry (RP-HPLC/ESI-MS). The synthesized products contain free hydroxy groups and such groups, as epoxy, peroxy, carboxy or acrylate.
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New approach in determination of urinary diagnostic markers for prostate cancer by MALDI-TOF/MS
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Characteristics of Cucumis metuliferus, Actinidia deliciosa and Musa paradisica fragrance profiles using a comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection (GC×GC-TOF MS)
PublicationComprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection (GC×GC-TOF-MS) is a modern analytical technique used in many fields. This technique enables an effective separation of volatile chemical compounds [1]. In recent years, the topic of healthy food and healthy living has become very popular. For this reason, more and more scientific publications related to the analysis of food products...
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The profiles and spectrum of aqua solution of tannic acid by HPLC-DAD-MS analysis.
Open Research DataThe profiling of tannic acid is determined by examining the content and proportion / ratio of gallotannins [Aras et al. 2016, Clifford et al. 2007, Gauri et al. 2012, Nishizawa et al. 1982]. In order to check the ion mass distribution (TIC) in an aqueous solution of commercial tannic acid, a direct sample injection (TA) was performed into the mass spectrometer....
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Phyloproteomic study by MALDI-TOF MS in view of intraspecies variation in a significant homogenous phytopathogen Dickeya solani
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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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Robust HPLC–MS/MS method for levofloxacin and ciprofloxacin determination in human prostate tissue
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Development and Validation of SPE-HPLC-MS/MS Method for Determining Cyclophosphamide in Surface Waters
PublicationA rapid and selective method for trace amounts determination of cyclophosphamide in surface water samples has been developed. A solid phase extraction SPE method for extraction and clean-up procedure has been optimized for determination by reversed-phase high-performance liquid chromatography with tandem mass spectrometry. The analyses proceed in the positive ion mode by means of the electrospray ionization method (ESI). Clean...
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Dynamics of hepatitis B virus quasispecies heterogeneity in association with nucleos(t)ide analogue treatment determined by MALDI-TOF MS
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HPLC–MS/MS method for dexmedetomidine quantification with Design of Experiments approach: application to pediatric pharmacokinetic study
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Determination of pterins in urine by HPLC with UV and fluorescent detection using different types of chromatographic stationary phases (HILIC, RP C8, RP C18)
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Modern approach for determination of lactulose, mannitol and sucrose in human urine using HPLC-MS/MS for the studies of intestinal and upper digestive tract permeability
PublicationA new analytical procedure was described for the simultaneous determination of lactulose, mannitol and sucrose in urine, in which HILIC chromatography and tandem mass spectrometry detection are used. Sugars are orally administered for the estimation of intestinal permeability in children digestive tract. Samples were purified by dispersive solid phase extraction (d-SPE) using Amberlite MB150 resin. Raffinose was selected as an...
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Wykorzystanie technik GC×GC-TOF-MS i olfaktometrii terenowej do oceny uciążliwości zapachowej powietrza atmosferycznego na obszarach przyległych do terenu składowiska odpadów komunalnych
PublicationUciążliwość zapachowa jest poważnym problemem środowiskowym i jednym z powodów skarg ludności dotyczących złej jakości powietrza atmosferycznego. Źródłem emisji nieprzyjemnych zapachów do środowiska (odorów) są obiekty gospodarki komunalnej, w tym składowiska odpadów komunalnych. Ze względu na negatywny wpływ emisji substancji zapachowych na zdrowie i życie człowieka, konieczne jest stosowanie odpowiednich narzędzi analitycznych...
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Phenolic composition and antioxidant properties of polish blue-berried honeysuckle genotypes by HPLC-DAD-MS, HPLC postcolumn derivatization with ABTS or FC, and TLC with DPPH visualization
PublicationIn this study, different Polish cultivars of blue-berried honeysuckles (Lonicera caerulea L.), wild and bog bilberry, were analyzed for bioactive compounds. The chemical properties verified included composition of anthocyanins and other polyphenols, antioxidant activity, and profiles of antioxidants by HPLC postcolumn derivatization or TLC. The antioxidant activities of different blue-berried honeysuckle cultivars were similar...
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Simultaneous determination of individual isothiocyanates in plant samples by HPLC-DAD-MS following SPE and derivatization with N-acetyl-l-cysteine
PublicationThe procedure for the isothiocyanates (ITCs) determination that involves derivatization with N-acetyl-l-cysteine (NAC) and separation by HPLC was developed. Prior to derivatization, plant ITCs were isolated and purified using solid-phase extraction (SPE). The optimum conditions of derivatization are: 500 μL of isopropanolic eluate obtained by SPE combined with 500 μL of derivatizing reagent (0.2 M NAC and 0.2 M NaHCO3 in water)...
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Christian Jungnickel dr hab.
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Determination of sex hormone concentration in wastewater samples.
Open Research DataConcentration levels of five selected steroid hormones in influent and effluent waters from wastewater treatment plant were determined using SPE(C18)-HPLC-ESI/MS/MS method. Sex hormones like: estradiol, estriol, estrone, 17-α-ethynyloestradiol, progesterone were present in all influent wastwater samples.
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Chromium-Catalyzed CO2–Epoxide Copolymerization
PublicationIminopyrrole, aminopyrrole, and aminophosphine ligands were complexed with various chromium sources, producing eight complexes that were tested for their catalytic behavior toward epoxide–CO2 copolymerization. As elucidated by MALDI-TOF-MS, copolymerizations afforded polycarbonates and poly(ether-carbonates) exhibiting linear or cyclic topologies.
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Non-enzymatic glutathione-mediated conjugation of unsymmetrical bisacridine C-2028 with anticancer activity
Open Research DataThe presented data complement the studies on the interplay between C-2028 (anticancer-active unsymmetrical bisacridine) and the glutathione S-transferase/glutathione (GST/GSH) system.
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Methodological advances for selenium speciation analysis in yeast.
PublicationPrzedstawiono nowe zaawansowane metody specjacji selenu w dodatkach spożywczych. Szczególną uwagę zwrócono na przygotowanie próbek odnośnie: frakcjonowania różnych klas związków tworzonych przez selen, rozdzielanie wodnych ekstraktów za pomocą chromatografii wykluczeniowej oraz charakteryzowania rozpuszczalnych w wodzie frakcji proteinowych przy użyciu detektorów MALDI oraz TOF-MS.
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Chromatografia oddziaływań hydrofilowych HILIC/NH2 w rozdzielaniu mono i disacharydów oraz badaniu cukrowych frakcji eluatu z rozdzielania składników serwatki mleka
PublicationWysokosprawna chromatografia oddziaływań hydrofilowych - HILIC - HPLC, to alternatywne - w stosunku do warunków faz odwróconych RP - HPLC - warunki rozdzielania polarnych, rozpuszczalnych w wodzie składników mieszanin. Wykorzystywanie w warunkach HILIC jednocześnie kilku mechanizmów rozdzielenia, umożliwia rozdzielenie mieszanin polarnych składników, trudnych, albo niemożliwych do rozdzielania w warunkach RP, w...
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Quality of limes juices based on the aroma and antioxidant properties
PublicationKaffir (Citrus hystrix) and Key (Citrus aurantifolia) limes juices were investigated and compared. Two dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOF-MS) was applied to assess the botanical origin of Kaffir and Key limes juices, based on volatile substances. The biggest differences in the contents of selected terpenes in Kaffir and Key limes occur in chemical compounds such as Limonene,...
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Determination of Butyltin Species in Sea Water Samples Using Solid Phase Extraction Followed by Liquid Chromatography - Tandem Mass Spectrometry
PublicationReverse phase liquid chromatography (RP-HPLC)-electrospray ionization-tandem mass spectrometry (ESI-MS-MS) was evaluated for the analysis of TBT using solid phase extraction as sample preparation method. TBT was extracted from acidified water samples (spiked with tripropyltin as internal standard) using reversed phase polymeric Strata-X cartridges. Analytes were eluted from cartridges using acetonitrile-water mixture and the volume...
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Barbara Kusznierewicz dr hab. inż.
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Funcionality assessment of Citrus Hysteria peel as a protective barrier using gas chromatography
PublicationThe aim of this study was to analyse the volatile fractions of fruit peel and pulp using two-dimensional gas chromatography technique coupled with mass spectrometry. The isolation of the compounds was achieved by microextraction to the stationary phase from the headspace of the sample (HS-SPME). Mass spectrometry with time-of-flight analyser (TOF-MS) was used to identify the chemical compounds. There are no reports in the literature...