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Search results for: MALDI-TOF-MS
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Distinct cellular uptake patterns of two anticancer unsymmetrical bisacridines and their metabolic transformation in tumor cells.
PublicationUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents. Their high cytotoxicity towards multiple human cancer cell lines and inhibition of human tumor xenograft growth in nude mice signal their potential for cancer treatment. Therefore, the mechanism of their strong biological activity is broadly investigated. Here, we explore the efflux and metabolism of UAs, as both strongly contribute to the development...
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New methodology for determination cationic surfactants in liquid environmental samples
PublicationBecause of their specific physical and chemical properties (e.g. 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. Mainly,...
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The potential role of bisphenol A in the pathogenesis of polycystic ovary syndrome
PublicationPolycystic ovary syndrome (PCOS) is the most common endocrinopathy in women of reproductive age, that lead to infertility, type 2 diabetes and coronary heart disease. Bisphenol A (BPA) is one of the most abundant chemicals produced worldwide and is used as a plasticizer in daily life. Nowadays it is also well know that it can interact with estrogen receptors, androgen receptors and peroxisome proliferatoractivated receptors g (PPARg)....
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Investigation of volatile low molecular weight compounds formed during continuous reclaiming of ground tire rubber
PublicationGround tire rubber was thermo-mechanically reclaimed at different temperature conditions (80, 120, 160 °C) using a co-rotating twin screw extruder. The progress of ground tire rubber reclaiming was evaluated with specific mechanical energy, sol fraction and thermogravimetric analysis. Volatile organic compounds (VOCs) including volatile sulfur compounds (VCSs) released from ground tire rubber and ground tire rubber after reclaiming...
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Occurrence and seasonal variations of 25 pharmaceutical residues in wastewater and drinking water treatment plants
PublicationThousands of tons of pharmaceuticals are introduced into the aqueous environment due to their incomplete elimination during treatment process in wastewater treatment plants (WWTPs) and water treat- ment plants (WTPs). The presence of pharmacologically active compounds in the environment is of a great interest because of their potential to cause negative effects. Furthermore, drugs can undergo different pro- cesses leading to the...
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Determination of bromhexine and its metabolites in equine serum samples by liquid chromatography – Tandem mass spectrometry: Applicability to the elimination study after single oral dose
PublicationBromhexine (BH), expectorant used in the treatment of respiratory disorders associated with viscid or excessive mucus, is not permitted for use in the competing horse by many authorities in horseracing and Olympic disciplines. Metabolic studies are of the great importance in anti-doping field because they allow for updating the selection of the most appropriate markers for prohibited substances, such as metabolites present at higher...
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Determination of MDPBP in postmortem blood samples by gas chromatography coupled with mass spectrometry
PublicationMDPBP (1-(3,4-methylenedioxyphenyl)-2-(1-pyrrolidinyl)-1-butanone) is a new psychoactive substance sold on the black market. It has been a controlled drug of abuse in Poland and China since 2015 as some toxic and fatal cases connected with use of synthetic cathinone derivatives were observed. The fatal case outlined here concerns a 19 year-old man, who was found dead with an envelope containing white powder lying nearby the cadaver....
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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublicationThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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Influence of hydrogen on a nanocrystalline high-entropy oxide with application potential in hydrogen technologies
PublicationThe influence of hydrogen on a (Co0⋅2Cu0⋅2Mg0⋅2Ni0⋅2Zn0.2)O HEO with a rock salt structure was studied. Two forms of this HEO (nanopowder and sinter) were prepared via mechanochemical synthesis (MS) and additional heat treatment, respectively. The chemical stability of the synthesized samples in a pure hydrogen atmosphere was investigated using Sievert’s technique. High-pressure hydrogenation at 250 ◦C had no noticeable effect...
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Simple analytical method for total biogenic amines content determination in wine using a smartphone
PublicationA simple, fast, and green smartphone-based procedure for total biogenic amines content determination in wine was developed and validated. Sample preparation and analysis were simplified to make the method suitable for routine analyses even in resource-scarce settings. The commercially available S0378 dye and smartphone-based detection were used for this purpose. The developed method has satisfactory figures of merit for putrescine...
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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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Comparison of the content of phenolic compounds and antioxidant activity of white, red and black currants (Ribes sp.) extracts
PublicationThe aim of this study was to compare the content of antioxidant compounds and the antioxidant activity of extracts from white, red and black currants (Ribes sp.). The chemical properties verified included determinations of anthocyanins and other phenols by HPLC-DAD-MS, total antioxidant activity by standard spectrophotometric tests (ABTS, DPPH and FCR), and profiles of antioxidants by TLC with visualization reagents (ABTS, DPPH,...
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Influence of terpenes on indoor air quality
PublicationThe aim of this study was to investigate air quality in hairdresser salons, focusing on terpenes determination. Terpenes are known reactive volatile organic compounds that contribute to secondary organic aerosol formation. Those compounds are frequently found in cosmetic products as fragrance agents. Hairdresser salons are special kind of environment, where secondary organic aerosol concentration may be elevated. One hairdresser...
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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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Zastosowanie chromatografii gazowej do oceny stopnia degradacji LZO w ściekach przemysłowych po procesach oczyszczania
PublicationW pracy przedstawiono przykład zastosowania metodyki DLLME-GC-MS w trybie SCAN, w połączeniu z modelem MCR-ALS, do identyfikacji lotnych związków organicznych (LZO) obecnych w próbkach surowych ścieków z produkcji asfaltów naftowych, a także oceny stopnia ich degradacji po zastosowaniu różnych metod oczyszczania chemicznego. Wykorzystanie modelu chemometrycznego do dekonwolucji sygnałów chromatograficznych umożliwiło identyfikację...
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Selected manufacturing difficulties encountered during setup of machining on cnc multi-axis linear automatic lathe and on cnc multi-spindle turning centers
PublicationThe article presents the observed manufacturing technology implementation difficulties in workshop practice, resulting from the construction and principles of operation on the DMG’s SPRINT 32/5 CNC linear automatic lathe and on the Mazak’s HQR 150 MSY and QTN 200 MS CNC turn - mill centers, and discusses possible rules for solving the production problems encountered. The article also discusses the principles of dividing the machining...
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Miniaturised analytical procedure of determining polycyclic aromatic hydrocarbons and polychlorinated biphenyls in bottom sediments
PublicationOpisano metodę oznaczania bardzo niskich stężeń polichlorowanych bifenyli w obecności wysokich zawartości wielopierścieniowych węglowodorów aromatycznych. Analizie techniką GC-MS poddawany jest ekstrakt z 1 g próbki osadu. Jako standardy wewnętrzne zastosowano Naftalen-d8, benzo[a]antracen-d12 i PCB 209. Średni odzysk standardów przedstawiał się następująco: 65, 55 i 60% odpowiednio. Do izolacji frakcji PCB stosowano niekomercyjne...
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The products of electro- and photochemical oxidation of 2-hydroxyacridinone, the reference compound of antitumor imidazoacridinone derivatives
PublicationBadano reakcje elektrochemicznego utleniania 2-hydroksyakrydonu, związku modelowego aktywnych przeciwnowotworowo pochodnych imidazoakrydonu. Do badań zastosowano metody woltamperometrii cyklicznej, metodę spektroelektrochemiczną oraz elektrolizę przy kontrolowanym potencjale. Badano też reakcje fotochemicznego utleniania. Badania prowadzono w ramach szerszego problemu poznania przemian aktywacji metabolicznej pochodnych hydroksyakrydonu...
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Application of gas chromatography to the analysis of spirit-based alcoholic beverages
PublicationSpirit-based beverages are alcoholic drinks, which production processes are dependent on the type and origin of raw materials. The composition of this complex matrix is difficult to analyze and scientists commonly choose a gas chromatography techniques for this reason. With a wide selection of extraction methods and detectors it is possible to provide qualitative and quantitative analysis for many chemical compounds with a various...
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Nowe techniki instrumentalne na tle tradycyjnych metod analizy stabilności oksydatywnej olejów roślinnych
PublicationObiecującą metodą oznaczania stabilnosci oksydatywnej olejów roślinnych może okazać się technika mikroekstrakcji do fazy stacjonarnej połączona z techniką chromatografii gazowej (SPME/GC) z detektorem płomieniowo-jonizacyjnym (FID) lub spektrometrii mas (MS). Przy pomocy wspomnianej metody, na podstawie zależności stosunku stężeń heksanalu do 2-trans-nonenalu w funkcji czasu naświetlania promieniowaniem ultrafioletowym, wyznaczono...
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Quality assurance of alcoholic beverages by electronic nose
PublicationQuality is very important attribute of every alcoholic beverage. It is very significant to satisfy consumers and assure food quality. Flavour, colour and taste constitute a great matter not only for connoisseurs. Due to these features, the whole manufacturing process need to be monitored. This paper presents a high-class devices useful in assessing of beverage quality. Electronic noses offer quick real-time analysis, which is very...
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Wykorzystanie rejestracji przebiegów szybkozmiennych do weryfikacji modeli dynamicznych KSE
PublicationW referacie przedstawiono koncepcję narzędzia pozwalającego na weryfikowanie parametrów modeli dynamicznych elementów KSE. Narzędzie wykorzystuje program obliczeniowy PSLF, stosowany powszechnie przez operatora systemu przesyłowego. Nowatorstwo polega na wykorzystaniu dodatkowej aplikacji (programu w systemie MS Windows), która steruje pracą programu obliczeniowego. Powstaje w ten sposób tandem wygodnego interfejsu użytkownika...
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Wykorzystanie rejestracji przebiegów szybkozmiennych do weryfikacji modeli dynamicznych KSE
PublicationW referacie przedstawiono koncepcję narzędzia pozwalającego na weryfikowanie parametrów modeli dynamicznych elementów KSE. Narzędzie wykorzystuje program obliczeniowy PSLF, stosowany powszechnie przez operatora systemu przesyłowego. Nowatorstwo polega na wykorzystaniu dodatkowej aplikacji (programu w systemie MS Windows), która steruje pracą programu obliczeniowego. Powstaje w ten sposób tandem wygodnego interfejsu użytkownika...
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Characterization of magnesium doped lanthanum orthoniobate synthesized by molten salt route
PublicationMolten salt synthesis method has been used to prepare the single phase magnesium doped lanthanum orthoniobate. The phase composition has been checked by X-ray diffraction method and the microstructure studies have been performed by scanning electron microscopy. The high temperature properties of the material have been investigated by thermogravimetry and electrochemical impedance spectroscopy. A dependence between sample total...
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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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Micellar Route of the Synthesis of Alkyl Xylosides: An Unexpected Effect of Amphiphilic Imidazolium Ionic Liquids
PublicationThis manuscript presents results from the investigation on the synthesis of alkyl xylosides by the novel, very efficient and promising protocol of the Fischer synthesis from unprotected xylose and aliphatic alcohol. The use of 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids as the catalysts with dual functionality (surfactant + acid catalyst) and micellar reaction system are the main novelty of described method. It has...
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N-alkyl derivatives of 2-amino-2-deoxy-D-glucose
PublicationMono- i di-N-alkilowe pochodne 1,3,4,6-tetra-O-acetylo-2-amino-2-deoksy-beta-D-glukozy (alkil = metyl, etyl, propyl, butyl, pentyl, heksyl, benzyl) otrzymano w wyniku redukcyjnej alkilacji per-O-acetylo-D-glukozaminy. (N-etylo, N-propylo, N-butylo, N-pentylo, N-heksylo)-1,3,4,6-tetra-O-acetylo-2-amino-2-deoksy-beta-D-glukozy deacetylowano w celu podjęcia prób enzymatycznej fosforylacji. Wszystkie produkty scharakteryzowano za pomocą...
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Effect of hybrid contactless short-cicruit limiters on power quality
PublicationPrzedstawiono działanie bezstykowego ogranicznika prądów zwarciowych w oparciu o symulację komputerową. Szczególną uwagę zwrócono na problem jakości dostarczanej energii elektrycznej poprzez ograniczanie zapadów napięcia za pomocą bezstykowego ogranicznika prądów zwarciowych. W modelowaniu elementów systemu elektroenergetycznego i zapadów napięcia, będących skutkiem zwarć wykorzystano program MATLAB z biblioteką Power System Blockset....
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Development and evaluation of RADA-PDGF2 self-assembling peptide hydrogel for enhanced skin wound healing
PublicationBackground: 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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Metodyka i rezultaty oznaczania mgły oraz lotnych składników organicznych podczas nalewu asfaltów
PublicationW pracy przedstawiono i porównano metodyki analityczne opracowane w celu kontroli stężenia składników występujących w powietrzu wypływającym do systemu utylizacji oparów, z cystern w czasie nalewu asfaltu drogowego. Badania dotyczyły, oddzielnie, lotnych składników organicznych oraz mgły, zatrzymywanej przez filtr z włókniny. Identyfikację i oznaczanie lotnych związków organicznych wykonywano techniką kapilarnej chromatografii...
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Microstructure and mechanical properties of laser surface-treated Ti13nb13zr alloy with MWCNTs coatings
PublicationLaser surface modification of titanium alloys is one of the main methods of improving the properties of titanium alloys used in implantology. This study investigates the microstructural morphology of a laser-modified surface layer on a Ti13Nb13Zr alloy with and without a carbon nanotube coating deposited by electrophoretic deposition. Laser modification was performed for samples with and without carbon nanotube coating for two...
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2-Methoxyestradiol and Hydrogen Peroxide as Promising Biomarkers in Parkinson’s Disease
PublicationEstrogens function in numerous physiological processes including controlling brain cell growth and differentiation. 2-Meth- oxestradiol (2-ME2), a 17β-estradiol (E2) metabolite, is known for its anticancer effects as observed both in vivo and in vitro. 2-ME2 affects all actively dividing cells, including neurons. The study aimed to determine whether 2-ME2 is a potentially cancer-protective or rather neurodegenerative agent in a...
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Electrochemical simulation of metabolic reduction and conjugation reactions of unsymmetrical bisacridine antitumor agents, C-2028 and C-2053
PublicationElectrochemistry (EC) coupled with analysis techniques such as liquid chromatography (LC) and mass spectrometry (MS) has been developed as a powerful tool for drug metabolism simulation. The application of EC in metabolic studies is particularly favourable due to the low matrix contribution compared to in vitro or in vivo biological models. In this paper, the EC(/LC)/MS system was applied to simulate phase I metabolism of the representative...
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Concentration levels of selected analytes in the gas phase of an e-cigarette aerosol
PublicationThe aerosols generated from e-cigarettes are composed of liquid and gas phases resulting from vapourized e-liquid. The apportioning of substances from e-liquid into the liquid and gas phases during e-cigarette use has not been extensively studied. Partitioning of e-liquid components between the gas and the liquid phase of the aerosol influences the substances inhaled and exhaled by the users, leading to second-hand exposure. It...
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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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Hanow - Praecepta de arte disputandi - transcription and photographs
Open Research DataPraecepta de arte disputandi by Enlightenment Gdańsk scholar Michael Christoph Hanow (1695-1773) are a combination of rhetorical theory and practical tips on how to effectively conduct discussions.
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Wave propagation signals in concrete beams under 3-point bending
Open Research DataThe DataSet contains the results of the mechanical behaviour of a concrete beams with dimensions 40 x 40 x 160 cm3under the 3-point bending. The beams were made of concrete with the following ingredients: CEM I 42.5R (450 kg/m3), water (177 kg/m3), sand 0-2 (675 kg/m3) and gravel 2-8 (675 kg/m3). The bending test was performed using a Zwick/Roell Z10...
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Projektowanie wiedzy. Relacyjne bazy danych (ISBN 978-83-7348-702-4)
PublicationZałożeniem podręcznika Projektowanie wiedzy – relacyjne bazy danych jest kształtowanie praktycznych umiejętności opartych na wiedzy z zakresu tworzenia relacyjnych baz danych z wykorzystaniem narzędzi Microsoft Access. Książka zawiera zestawy ćwiczeń i zadań wraz z rozwiązaniami, które umożliwiają skuteczną naukę prawidłowego tworzenia modelu danych. Opracowanie wyróżnia się na tle innych prac bardzo szczegółowym i dokładnym...
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublicationMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Detection of some volatile degradation products released during photoexposition of ranitidine in a solid state
PublicationRanitidine (RAN) is on top of the list of prescribed drugs, due to its popularity as a selective H2-receptor antagonist, which efficiently decreases the amount of acid produced in the stomach. RAN is not stable both in a solid state and in a solution, which creates manufacturing problems, requires appropriate storage conditions, and results in a short drug shelf-life. The aim of this work was to study the emission of volatile...
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Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublicationNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
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Quechers sample preparation method variants for analysis of pesticide residues in fruits and vegetables
PublicationThis article describes the comparison of different versions of an easy, rapid and low-cost sample preparation approach for the determination of pesticide residues in fruits and vegetables by concurrent use of gas and liquid chromatography coupled to MS or ECD for detection. The sample preparation approach is known as QuEChERS, which stands for quick, easy, cheap, effective, rugged and safe. It is a combination of liquid-liquid...
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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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The influence of thermal conditions on V2O5 nanostructures prepared by sol-gel method
PublicationThis work presents the result of structure investigations ofV 2O5 nanorods grown from thin films and powders prepared by sol-gel method. To examine the best temperature of nanorods crystallization, thin films deposited by spin-coating method on quartz glass or silicon substrates and bulk xerogel powders were annealed at various temperatures ranging from 100∘C to 600∘C. The structure of the samples was characterized by X-ray diffraction...
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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Determination of 3,4-methylenedioxy-α-pyrrolidinobutiophenone (MDPB) in blood. A case report
PublicationSynthetic drugs, known as ‘‘legal highs’’, are still very popular on black market. The determination of their composition are required in courts of law and also to understand what potential users may be subjected to. The interest of new cathinones, e.g. MDPBP, is in view of psychoactive effects that they cause and that, in many cases, they are not controlled by law. The case outlined here concerns 19 years-old man, who was found...
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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublicationA double-stranded oligonucleotide, 80 base pairs in length, was multiply labeled with 5-bromo-2′-deoxycytidine (BrdC) using polymerase chain reaction (PCR). The modified oligonucleotide was irradiated with 300 nm photons and its damage was assayed by employing DHPLC, LC-MS and denaturing polyacrylamide gel electrophoresis (PAGE). Two types of damage were demonstrated, namely, single strand breaks (SSBs) and intrastrand cross-links...
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Derywatyzacja in situ w połączeniu z techniką DLLME-oznaczanie amin biogennych w winach owocowych
PublicationW literaturze można znaleźć potwierdzenie dla tezy, że miniaturyzacja oraz automatyzacja to kluczowe elementy, które powinny być brane pod uwagę przy optymalizacji tych procedur analitycznych, w których występuje etap derywatyzacji analitów, jeśli mają być one zaliczone do grupy tzw. zielonych metodyk analitycznych. Rezultatem zastosowania takiego podejścia jest zmniejszenie ilości zużytych odczynników i tym samym, zmniejszenie...
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Polycyclic aromatic hydrocarbons in smoked fish - a critical review
PublicationDym wędzarniczy zawiera wśród setek składników co najmniej 100 wielopierścieniowych węglowodorów aromatycznych (WWA). Benzo{a}piren (BaP) jest uważany za wskaźnikowy, rakotwórczy WWA w wędzonych rybach. Współczesne procedury analityczne obejmujące ekstrakcję węglowodorów z matrycy, oczyszczenie, rozdzielenie metodą GC lub HPLC przy użyciu, odpowiednio, detektora MS albo FLD, umożliwiają oznaczenie indywidualnych WWA w wędzonych...
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Application of the neural networks for developing new parametrization of the Tersoff potential for carbon
PublicationPenta-graphene (PG) is a 2D carbon allotrope composed of a layer of pentagons having sp2- and sp3-bonded carbon atoms. A study carried out in 2018 has shown that the parameterization of the Tersoff potential proposed in 2005 by Ehrhart and Able (T05 potential) performs better than other potentials available for carbon, being able to reproduce structural and mechanical properties of the PG. In this work, we tried to improve the...