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Wyniki wyszukiwania dla: GC-EI-MS
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Chemical Composition of Atmospheric Air in Nemoral Scots Pine Forests and Submountainous Beech Forests: The Potential Region for the Introduction of Forest Therapy
PublikacjaStudies show that forests are one of the main recreational destinations. This can be explained by their beneficial effects on the health of their visitors, which can be attributed to compounds from the terpene group. The aim of this research was to determine the chemical composition of air in the interiors of Nemoral Scots pine forests and submountainous beech forests, with the determination of compounds of the terpene group. Samples...
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Ograniczniki bezpiecznikowe prądów zwarciowych na duże prądy robocze.
PublikacjaPrzedstawia się ogólną ideę ograniczania prądów zwarciowych w obwodach o dużych prądach roboczych niskiego i średniego napięcia w oparciu o bezstykowe hybrydowe ograniczniki prądu z wykorzystaniem specjalnych, krótkotopikowych bezpieczników. Idea takich ograniczników polega na zastąpieniu łącznika zestykowego ogranicznika hybrydowego bezpiecznikiem o minimalnej długości topika z intensywnym chłodzeniem topika przez osiowe przewodnictwo...
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Lightning impulse efficiency of horizontal earthings
PublikacjaSystem uziemień współczesnych obiektów jest zwykle bardzo rozległy, a na łączenie poszczególnych elementów uziemiających za pomocą głównej szyny wyrównania potencjałów uwzględnia także uziemienia stacji transformatorowej. Ocena przydatności takiego systemu uziemień do celów ochrony odgromowej nie jest prosta, bo tylko jego część określana, jako długość efektywna bierze udział w odprowadzaniu do gruntu prądu piorunowego. Praca zawiera...
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Characterization of Rapana thomasiana as an indication of environmental quality of the Black Sea coast og Bulgaria
PublikacjaW pracy przedstawiono wyniki badań próbek mięczaków morskich (brzuchonogów) na zawartość takich składników jak wielopierścieniowe węglowodory aromatyczne, polichlorowane bifenyle, mikroelementy tych składników oraz aktywność biologiczną. Oceniono różnice w zawartości tych składników w próbkach uzyskanych z tych mięczaków morskich zebranych na obszarach niezanieczyszczonych i obszarach charakteryzujących się dużą intensywnością...
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Photodegradation of phenol by UV/TiO2 and Vis/N,C-TiO2 processes: Comparative mechanistic and kinetic studies
PublikacjaPorównano drogę fotodegradacji w dwóch systemach badawczych: UV/TiO2 i Vis/N,C-TiO2. Zbadano efektywność degradacji fenolu, powstające produkty pośrednie oraz generowanie rodników hydoksylowych w przygotowanych układach badawczych. Wyniki badań wykazały porównywalne efektywności degradacji fenolu w zawiesinach: domieszkowany TiO2/Vis i TiO2 P-25/UV. Uzyskane wyniki wskazują również na odmienne drogi degradacji zanieczyszczeń w...
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Organic and conventional kiwifruit, myths versus reality: antioxidant, antiproliferative and helth effects
PublikacjaComparison between organic and conventional kiwifruit cultivars 'Hayward' and 'Bidan', which was done by four radical scavenging assays, ESI-MS, and DSC measurements, showed significant differences between the cultivars. Such results were not estimated in kiwifruit growing under organic and conventional conditions. The extraction of bioactive compounds was done by two different methods: sequential extraction with ethyl acetate...
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Influence of passive house technology on time and cost of construction investment
PublikacjaDue to the changes in the energy standards for housing in Poland there are many concerns. Is the standard required by the regulation achievable and if it is, then at what cost? There are many solutions to construct a building in line with the requirements of passive house technology. They are differentiated by price and time required for implementation. This study is based on the solution proposed by one of Polish companies, offering...
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On the fast BSS transition algorithms in the IEEE 802.11r local area wireless networks
PublikacjaHandover performance is critical to support multimedia services that are becoming increasingly available over the wireless devices. The high transition delay can be unaccepted for such services or can be a source of disruption on the session. On the other side, IEEE 802.11 standard is being extended with new functionalities. Security and QoS features, included in recent IEEE 802.11-2007 standard, add management frames that are...
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Influence of Diosmin Treatment on the Level of Oxidative Stress Markers in Patients with Chronic Venous Insufficiency
PublikacjaOxidative stress plays an important role in the pathophysiology of many human disorders, while antioxidants prevent the development of various adverse symptoms. Diosmin is a natural flavonoid applied in vascular system disorders, especially in chronic venous insufficiency (CVI), and it plays a significant part in the alleviation of CVI symptoms. Due to antioxidant activity, it also has the ability to scavenge the oxygen free radicals...
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Analysis of volatile fraction of sweetie (Citrus maxima × Citrus paradisi) and its parent fruit using proton transfer reaction mass spectrometry
PublikacjaThe quality of the fruit is affected by several main ingredients and the aroma plays a fundamental role during the selection of fruit by consumers. In the case where several fruit have similar aromas and only one of them has specific health properties, it is very important to find the differences in the volatile organic compounds (VOCs) composition to distinguish these samples. Such situations are often found for hybrid fruit....
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Effect of austempering temperature on microstructure and cyclic deformation behaviour of multiphase low-carbon steel
PublikacjaThis paper examined the cyclic deformation behaviour of multiphase low-carbon steel that was subjected to austempering heat treatments at four temperatures (190 °C, 230 °C, 275 °C, and 315 °C) below the martensite start temperature (Ms = 353 °C). The tests were conducted at room temperature, under fully reversed strain-controlled conditions, with strain amplitudes in the range 0.5–1.0%. The microstructure was observed by transmission...
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X-ray and UV Radiation Damage of dsDNA/Protein Complexes
PublikacjaRadiation and photodynamic therapies are used for cancer treatment by targeting DNA. However, efficiency is limited due to physico-chemical processes and the insensitivity of native nucleobases to damage. Thus, incorporation of radio- and photosensitizers into these therapies should increase both efficacy and the yield of DNA damage. To date, studies of sensitization processes have been performed on simple model systems, e.g.,...
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Novel Resveratrol-Based Substrates for Human Hepatic, Renal, and Intestinal UDP-Glucuronosyltransferases
PublikacjaTrans-Resveratrol (tRes) has been shown to have powerful antioxidant, anti-inflammatory, anti-carcinogenic, and anti-aging properties; however, its use as a therapeutic agent is limited by its rapid metabolism into its conjugated forms by UDP-Glucuronosyltransferases (UGTs). The aim of the current study was to test the hypothesis that the limited bioavailability of tRes can be improved by modifying its structure to create analogs...
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Determination of volatile organic compounds in water samples using membrane-solid phase microextraction (M-SPME) (headspace version)
PublikacjaThe results of a study on the use of membrane-solid phase microextraction (M-SPME) for sampling volatile organic compounds (VOCs) from the headspace above the liquid medium are presented. The sampled VOCs were subsequently quantified by gas chromatography (GC). Two systems were compared in this study, i.e. a novel two-phase sorption system (M-SPME), and a commercial fibre. Headspace sampling using SPME was optimized with respect...
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Nanodiamond phantoms mimicking human liver: perspective to calibration of T1 relaxation time in magnetic resonance imaging
PublikacjaPhantoms of biological tissues are materials that mimic the properties of real tissues. This study shows the development of phantoms with nanodiamond particles for calibration of T1 relaxation time in magnetic resonance imaging. Magnetic resonance imaging (MRI) is a commonly used and non-invasive method of detecting pathological changes inside the human body. Nevertheless, before a new MRI device is approved for use, it is necessary...
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The structure of levorin A3, a minor component of levorin complex
PublikacjaBudowa chemiczna składnika kompleksu leworyn, leworyny A3, została ustalona na podstawie analizy z wykorzystaniem metod spektroskopowych UV, MS i NMR metoksykarbonylometyloamido pochodnej leworyny A3. Widmo UV wskazało obecność chromoforu heptaenowego. Ciężar cząsteczkowy leworyny A3 ustalono jako 1110 j.m. za pomocą spektrometrii masowej z wykorzystaniem techniki FAB, co po uwzględnieniu uwarunkowań biogenetycznych pozwoliło wydedukować...
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Inactivation of glucosamine-6-phosphate synthase by N3-oxoacyl derivatives of L-2,3-diaminopropanoic acid
PublikacjaN3-oksoacylowe pochodne kwasu l-2,3-diaminopropanowego zawierające ugrupowanie epoksydowe lub układ sprzężonych wiązań podwójnych inaktywują syntaze glukozamino-6-fosforanu (GlcN-6-P) z S. cerevisiae. Wyniki badań kinetycznych inaktywacji enzymu wskazują na dwuetapowy przebieg tej reakcji, przy czym tworzenie kompleksu enzym:ligand poprzedza nieodwracalną modyfikację enzymu. Badane związki różniły się powinowactwem do centrum aktywnego...
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Chemical composition, antioxidant and anticancer effects of the seeds and leaves and indigo (polygonum tinctorium Ait.) Plant
PublikacjaSeeds and leaves of indigo (Polygonum tinctorium Ait.) plant were investigated and compared with another medicinal plant named prolipid for their properties such as chemical composition, antioxidant, and anticancer effects by Fourier transform infrared, three-dimensional fluorescence spectroscopy, and electrospray ionization-MS in negative mode. It was found that polyphenols, flavonoids, and flavanols were significantly higher...
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublikacjaFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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Rapid and Green Separation of Mono- and Diesters of Monochloropropanediols by Ultrahigh Performance Supercritical Fluid Chromatography–Mass Spectrometry Using Neat Carbon Dioxide as a Mobile Phase
PublikacjaThis study demonstrates the effect of column selectivity and density of supercritical carbon dioxide (SC-CO2) on the separation of monochloropropanediol (MCPD) esters, known as food toxicants, using SC-CO2 without addition of cosolvent in ultrahigh performance supercritical fluid chromatography–mass spectrometry (UHPSFC-MS). This study shows that over 20 2-monochloropropanediol (2-MCPD) and 3-monochloropropanediol (3-MCPD) mono-...
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In search of molecular precursors for cadmium sulfide-new complexes with a sulfur-rich kernel: cadmium(II) tri-tert-butoxysilanethiolates with additional diethyldithiocarbamato ligand
PublikacjaW ramach rozprawy opracowano metodę syntezy związków koordynacyjnych kadmu zawierających mieszane ligandy S-donorowe, które stanowią reszta tri-tert-butoksysilanotiolanowa oraz ditiokarbaminianowa. Zostały one poddane badaniom za pomocą analizy składu pierwiastkowego, metod spektroskopowych (FTIR, FIR, UV-Vis, NMR, MS) oraz termicznych. W celu osadzenia cienkich warstw wybranych związków posłużono się techniką nakładania obrotowego...
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Oddziaływanie przepięć atmosferycznych na bezpieczniki SN: badania wstępne
PublikacjaObserwowane sš liczne przypadki błędnego działania w czasie burz bezpieczników SN chronišcych transformatory słupowe SN/nn. W artykule przedstawiono wyniki eksperymentów i symulacji wpływu przepięcia atmosferycznego na zachowanie się bezpieczników SN. Zauważono, że udary krótsze niż około 15 ms nie powodujš znacznego zwiększenia całki Joule`a pršdu płynšcego przez bezpiecznik mogšcego doprowadzić do jego zadziałania. Choć w rzeczywistoci...
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Development of chromatographic and mass spectrometry conditions for untargeted lipidomic analysis of human breast milk
PublikacjaHuman 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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The Method of Multi-criteria Analysis to Support the Decision on Load or Micro-generation Connection to a Low- or Medium-voltage Power Grid
PublikacjaThis paper presents a method that supports the decision in terms on selecting the best option of a load connection to a low- or medium-voltage power distribution grid, and of a micro-generation source connection to a low-voltage grid. The method is based on the search for the option with the lowest aggregate assessment measure, which is the weighted average of partial assessment measures determined for each of eight considered...
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Przyrząd wirtualny do szacowania niepewności pomiaru mocy chwilowej.
PublikacjaW artykule przedstawiono zagadnienie dotyczące wykorzystania przyrządu wirtualnego do szacowania niepewności pomiaru mocy chwilowej. Analiza dotyczy układu do diagnostyki łożysk tocznych, składającego się z przetworników: napięcia oraz prąd-napięcie, który wykorzystano do badań diagnostycznych łożysk silników indukcyjnych metodą, opartą na pomiarze i analizie sygnałów napięcia i prądu pobieranych przez maszynę. Zaprezentowano opracowany...
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Preliminary Citation and Topic Analysis of International Conference on Agile Software Development Papers (2002-2018)
PublikacjaThis study utilizes citation analysis and automated topic analysis of papers published in International Conference on Agile Software Development (XP) from 2002 to 2018. We collected data from Scopus database, finding 789 XP papers. We performed topic and trend analysis with R/RStudio utilizing the text mining approach, and used MS Excel for the quantitative analysis of the data. The results show that the first five years of XP...
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Design, synthesis and biological evaluation of novel N-phosphorylated and O-phosphorylated tacrine derivatives as potential drugs against Alzheimer’s disease
PublikacjaIn this work, we designed, synthesised and biologically investigated a novel series of 14N- and O-phosphorylated tacrine derivatives as potential anti-Alzheimer’s disease agents. In the reaction of 9-chlorotacrine and corresponding diamines/aminoalkylalcohol we obtained diamino and aminoalkylhydroxy tacrine derivatives. Next, the compounds were acid to give final products 6–13 and 16–21 that were characterised by 1H, 13 C, 31P...
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Preparation of Allyl Alcohol Oligomers Using Dipicolinate Oxovanadium(IV) Coordination Compound
PublikacjaCurrently, new precatalysts for olefin oligomerization are being sought in the group of vanadium(IV) complexes. Thus, the aim of our research was to examine the catalytic activity of the oxovanadium(IV) dipicolinate complex [VO(dipic)(H2O)2] 2 H2O (dipic = pyridine-2,6-dicarboxylate anion) in 2-propen-1-ol oligomerization as well as to characterize oligomerization products using matrix-assisted laser desorption/ionization–time-of-flight...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublikacjaIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Analytical Strategies and Applications in Lipidomics
PublikacjaLipidomics is a field of study aiming at a comprehensive analysis of a set of lipids in biological systems. This includes both quantitative and qualitative characterization of lipid profiles, comparative studies of lipidomes, and analysis of lipid-protein interactions. Lipids are structurally diversified that make their analysis a challenging task. The constant advances in analytical technologies, especially in the field of high-performance...
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Determination of volatile organohalogen compounds in urban precipitation in Tricity area (Gdańsk, Gdynia, Sopot).
PublikacjaPróbki opadów atmosferycznych pobierano w 4 punktach na terenie Gdańska i Sopotu, od listopada 2000 do maja 2001. Oznaczano chloro- i bromopochodne metanu, etanu i etenu. Lotne związki chlorowcoorganiczne oznaczane były metodą bezpośredniego nastrzyku próbki wody do kolumny kapilarnej z wykorzystaniem detektora wychwytu elektronów na etapie detekcji (DAI-GC-ECD). Najczęściej oznaczanymi związkami na wszystkich stacjach pobierania...
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Occurence volatile halogenoorganic compounds in precipitation in an urban area in Tricity (Gdańsk-Gdynia-Sopot). Występowanie lotnych związków fluorowcoorganicznych w opadach atmosferycznych na terenie miejskim.
PublikacjaSzczególne znaczenie wśród zanieczyszczeń występujących w wielkomiejskim powietrzu atmosferycznym, mają lotne związki chlorowcoorganiczne, ze względu na powszechność stosowania i trwałość (od 77 dni - CH2Cl2 do 67 lat - CCl4). Większość związków chlorowcoorganicznych stanowi zagrożenie dla życia ludzkiego przez swoje kancerogenne, mutagenne i teratogenne działanie. Związki chlorowcoorganiczne obecne w środowisku są w większości...
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Determination of polybrominated diphenyl ethers (PBDEs) in dust samples collected in air conditioning filters of different usage – method development
PublikacjaThis study presents the results of studies aimed at the development of an analytical procedure for separation, identification, and determination of PBDEs compounds in dust samples collected from automotive cabin air filters and samples collected from filters installed as part of the air purification system in academic facilities. Ultrasound-assisted dispersive solid phase extraction (UA-dSPE) was found to perform better in terms...
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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublikacjaImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
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The computational methods in the development of a novel multianalyte calibration technique for potentiometric integrated sensors systems
PublikacjaIn recent years, integration and miniaturization of ion-selective electrodes (ISEs) have brought many benefits resulting in the possibility of simultaneous determination of the ions concentration in small volume samples. One of the key problems related to the preparation of potentiometric integrated sensors systems (PISSs) is a calibration procedure due to the necessity to calibrate each particular sensor separately. The main aim...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublikacjaTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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Spektrometria mas jako narzędzie umożliwiające poznanie metabolomu-główne strategie i wyzwania
PublikacjaBadania z zakresu metabolomiki ukierunkowane są na wykrywanie i oznaczanie endogennych związków małocząsteczkowych o masie <1000 Da (np. aminokwasy, cukry, lipidy) w próbkach biologicznych takich jak płyny biologiczne (głównie krew i mocz) oraz kondensaty wydychanego powietrza. Ze względu na szerokie spektrum występowania i niskie poziomy stężeń metabolitów w próbkach, analizy metabolomiczne wymagają stosowania technik o wysokiej...
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Bioactive compounds and the antioxidant capacity in new kiwi fruit cultivars
PublikacjaThe aim of this investigation was to find the best among seven different kiwi fruit cultivars (‘Hayward’, ‘Daheung’, ‘Haenam’, ‘Bidan’, ‘Hort16A’, ‘Hwamei’ and ‘SKK12’) for human consumption and to classify them as groups. Therefore, the contents of bioactive compounds and the level of antioxidant capacities of these cultivars were determined in four different extracts and compared. It was found that the contents of the bioactive...
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Assessment of the impact of bacteria Pseudomonas denitrificans, Pseudomonas fluorescens, Bacillus subtilis and yeast Yarrowia lipolytica on commercial poly(ether urethanes)
PublikacjaThe assessment of the impact of the bacteria Pseudomonas denitrificans, Pseudomonas fluorescens, Bacillus subtilis and yeast Yarrowia lipolytica on commercial poly(ether urethanes) Tecoflex® and Tecothane® is presented. The polyurethane samples were incubated with pure cultures of the microorganisms at 30 °C for five months. The changes in the chemical structure of the polymers were evaluated using loss of weight and contact angle...
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Mass Spectrometry-Based Direct Analytical Techniques
PublikacjaDirect analysis of samples is considered as one of the most environmentally sustainable solutions in analytical chemistry. In the ideal case, such solutions do not require sample preparation and analytes separation steps, therefore do not consumpt harmful substances (or consumpt only minimum amounts of them) and do not generate hazardous waste. Technical solutions for direct analysis also offer miniaturized and field-portable analyzers...
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Efficient optimization approaches for microwave assisted extraction of high-quality antioxidant compounds from Salvia officinalis L.: UHPLC-HRMS differential analysis of phenolic profiles obtained by ultrasound and microwave extraction
PublikacjaThe study aims to optimize MAE of total phenolic compounds (TPC) and antioxidant capacity from Salvia officinalis L. leaves using a definitive screening design (DSD) and I-optimal design. UHPLC-HRMS analysis was used to identify and compare the composition of MAE and UAE optimal extracts. The results showed that DSD and I-optimal design were successfully applied for the optimization of MAE targeting phenolics and other antioxidants...
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Physicochemical and Volatile Compounds Analysis of Fruit Wines Fermented with Saccharomyces cerevisiae: FTIR and Microscopy Study with Focus on Anti-Inflammatory Potential
PublikacjaThe growing trend in fruit wine production reflects consumers’ interest in novel, diverse drinking experiences and the increasing demand for healthier beverage options. Fruit wines made from kiwi, pomegranates, and persimmons fermented using S. bayanus Lalvin strain EC1118 demonstrate the versatility of winemaking techniques. Kiwifruit, persimmon, and pomegranate wines were analyzed using HPLC and GC-TOFMS analyses to determine...
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Silica-Based Ionogels: Nanoconfined Ionic Liquid-Rich Fibers for Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Barrier Discharge Ionization Detection
PublikacjaIn this work, hybrid silica-based materials with immobilized ionic liquids (ILs) were prepared by sol–gel technology and evaluated as solid-phase microextraction (SPME) fiber coatings. High loadings of the IL 1-methyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide ([C4MIM][TFSI]) were confined within the hybrid network. Coatings composition and morphology were evaluated using scanning electron microscopy and energy dispersive...
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Size-exclusion chromatography for the determination of the boiling point distribution of high-boiling petroleum fractions
PublikacjaThe paper describes a new procedure for the determination of boiling point distribution of high-boiling petroleum fractions using size exclusion chromatography with refractive index detector. Thus far, the determination of boiling range distribution by chromatography has been accomplished using simulated distillation with gas chromatography with the flame ionization detection. This study revealed that in spite of substantial differences...
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The comparison of cytotoxic and genotoxic activities of glucosinolates, isothiocyanates, and indoles
PublikacjaChemopreventive properties of Brassica vegetables are attributed mainly to their characteristic compounds—glucosinolates (GLs) and their main hydrolysis products—isothiocyanates (ITCs) and indoles. In this study, we compared antiproliferative activity (MTT test in HT29 cells) and genotoxic effects (comet assay in HT29 cells and restriction analysis in a cell-free system) of three GLs (sinigrin (SIN), glucotropaeolin (GTL), and...
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Lower rim substituted tert-butylcalix[4]arenes.Part 8: Calix[4]arenes with dialkoxyphosphoryl functions. Synthesis and complexing properties
PublikacjaW pracy przedstawiono syntezę i charakterystykę otrzymanych związków (1, 2), pochodnych alkoksyfosforylowych p-tert-butylokaliks[4]arenu: 5,11,17,23-tetra-tert-butylo-25,26,27,28-tetrakis(3-diizopropoksyfosforylopropoksy)kaliks[4]arenu (1) oraz 5,11,17,23-tetra-tert-butylo-25,26,27,28-tetrakis(3-methoksyetoksyfosforylopropoksy)kaliks[4]arenu (2). Zbadano właściwości jonoforowe związków 1 i 2 w membranie elektrod jonoselektywnych,...
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Biological Activity of Tea-Chokeberry and Chokeberry Fermented Beverages
PublikacjaFermented beverages, such as kombucha are gaining more and more popularity due to their beneficial effects on human health. These products are obtained by the fermentation of tea infusion using so called tea fungus. This microbial consortium can also be used to prepare fermented fruit beverages. Therefore, the aim of this study was to determine the changes in the antioxidant profile of tea-chokeberry and chokeberry beverages...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublikacjaThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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The influence of roasting and additional processing on the content of bioactive components in special purpose coffees
PublikacjaCoffee being the beverage consumed worldwide is also a very competitive commodity. Consequently, producers seek ways of attracting consumers by proposing e.g. novel ingredient combinations usually without evaluating their health quality. In this study, variations in health-promoting determinants for five special purpose coffee brews were characterized. The major bioactive components - chlorogenic acids (CAs) - detected by HPLC-DAD-MS...
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Lipidomics of Staphylococcus aureus – a new insight into the antibiotic resistant phenotype
PublikacjaStaphylococcus 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...