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Wyniki wyszukiwania dla: GC–MS/MS
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Determination of the Major By-Products of Citrus hystrix Peel and Their Characteristics in the Context of Utilization in the Industry
PublikacjaKaffir lime (Citrus hystrix) is a popular citrus in Southeast Asia. Despite the growing interest in the peel of the fruit, the leaves are the most frequently used part of the fruit. The aim of the study was to determine the main by-products of the peel, such as pectins, minerals, essential oil, and bioactive compounds, and to evaluate the possibility of using them in various branches of industry. In the study of the essential oil...
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Pesticide residues levels in honey from apiaries located of Northern Poland
PublikacjaConcentration 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
PublikacjaThe 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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Sensor Position Estimation Method for IoT Using Mobile Reference Node
PublikacjaThe paper proposes an innovative method of locating objects for the Internet of Things (IoT). The proposed method allows the position of a fixed measuring sensor (MS) to be estimated using one mobile base station with a known position moving around the MS. The mathematical analysis of the method, and three algorithms — Newton’s (NA), gradient descent (GD) and genetic (GA) — for solving the system of non-linear positional equations...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Multivariate Statistical Approach for Nephrines in Womenwith Obesity
PublikacjaCatecholamines are physiological regulators of carbohydrate and lipid metabolism during stress, but their chronic influence on metabolic changes in obese patients is still not clarified. The present study aimed to establish the associations between the catecholamine metabolites and metabolic syndrome (MS) components in obese women as well as to reveal the possible hidden subgroups of patients through hierarchical cluster analysis...
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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
PublikacjaOther 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 template synthesis and complexation properties of the methoxypyrogal-lo[4]arene
PublikacjaZaprezentowano metodę syntezy templatowej MPA. Obserwowano kompleksowanie silnych akceptorów elektronów przez MPA. Analiza widm ESI-MS wykazała właściwości kompleksujące w stosunku do kationów metali alkalicznych. Właściwości jonoforowe związku badano w membranowych elektrodach jonoselektywnych.
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On a matching distance between rooted phylogenetic trees
PublikacjaThe Robinson–Foulds (RF) distance is the most popular method of evaluating the dissimilarity between phylogenetic trees. In this paper, we define and explore in detail properties of the Matching Cluster (MC) distance, which can be regarded as a refinement of the RF metric for rooted trees. Similarly to RF, MC operates on clusters of compared trees, but the distance evaluation is more complex. Using the graph theoretic approach...
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The Current State-of-the-Art in the Determination of Pharmaceutical Residues in Environmental Matrices Using Hyphenated Techniques
PublikacjaSeveral thousand tons of pharmaceuticals and their transformation products (metabolites and degradation products) are introduced into the environment each year. They affect both human health and the environment, therefore, analytical procedures enabling the determination of a wide range of pharmaceuticals at trace levelswithminimal effort, time, and energy are required. Nowadays, hyphenated techniques are commonly applied in pharmaceutical...
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Determination of Pesticide Residues in Honeybees using Modified QUEChERS Sample Work-Up and Liquid Chromatography-Tandem Mass Spectrometry
PublikacjaIncreasing emissions of chemical compounds to the environment, especially of pesticides, is one of factors that may explain present honeybee colony losses. In this work, an analytical method employing liquid chromatography-tandem mass spectrometry (LC-MS/MS) was optimized for the simultaneous screening of 19 pesticides which have not been yet determined in honeybee samples from northern Poland (Pomerania). The sample preparation,...
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Proton Transfer Reaction Mass Spectrometry for Plant Metabolomics
PublikacjaVolatile organic compounds (VOCs) emitted by plants are a valuable source of information on their growth, theirresponse to stress, and the condition of their habitat. The recent trend in the analysis of low-mass molecules ofplant origin is metabolomics, which in the context of volatiles is often referred to as volatolomics. It requires theuse of modern analytical instrumentation...
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Nowa metoda lokalizowania terminala ruchomego w systemie WCDMA/FDD
PublikacjaW referacie zaprezentowano nową metodę lokalizowania terminala ruchomego w systemie WCDMA/FDD (Wideband Code Division Multiple Access / Frequency Division Duplex). Metoda ta umożliwia estymację położenia geograficznego terminala ruchomego MS (Mobile Station) bez znajomości różnic czasowych w synchronizacji RTD (Relative Time Difference) poszczególnych stacji bazowych BS (Base Station), biorących udział w tym procesie. Do eliminacji...
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Chromium-Catalyzed CO2–Epoxide Copolymerization
PublikacjaIminopyrrole, 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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Comparison of different extraction techniques of polychlorinated biphenyls from sediments samples.
PublikacjaIn this work, problems that may occur during determination of trace levels of polychlorinated biphenyls in sediment samples are described. Main error sources are connected with extraction of analytes prior to final determination. During model studies, polychlorinated biphenyls have been extracted from sedimentreference material (METRANAL 2) with the use of different solvents (dichloromethane, hexsane, and toluene); the process...
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Studies on fluorene stability in different liquid media. Badania stabilności fluorenu w środowiskach ciekłych.
PublikacjaPrzedstawiono degradację fluorenu w różnych rozpuszczalnikach (acetonitryl,metanol, woda, DMSO, heksan, cykloheksan). Proces monitorowano przy zastosowaniu techniki HPLC-DAD-MS. Zbadano wpływ światła, bakterii i temperatury.Zidentyfikowano produkty degradacji jakimi okazał się kwas salicylowy oraz g-fluorenon.
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Analiza i badania pomiarowe dokładności lokalizowania terminali ruchomych w sieciach komórkowych
PublikacjaJakość oferowanych przez operatorów sieci komórkowych usług o wartości wzbogaconej (usług dodanych) zależy od efektywności metod estymacji położenia geograficznego terminala ruchomego MS (Mobile Station). Dokładność istniejących w sieciach komórkowych metod lokalizacyjnych jest niewystarczająca, szczególnie w odniesieniu do usług związanych z wywołaniem w niebezpieczeństwie. Obecnie, do najbardziej popularnej w sieciach komórkowych...
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Pozostałości farmaceutyków w środowisku - problem daleki od rozwiązania
PublikacjaDo środowiska dostaje się coraz więcej związków pochodzenia farmaceutycznego. Zainteresowanie nimi tym bardziej wzrasta ze względu na ich niekorzystny wpływ nie tylko na środowisko, ale także na organizm ludzki. Mogą one powodować m.in. feminizację samców, wzrost odporności bakterii na antybiotyki oraz wzrost lekooporności ludzi. Dodatkowo farmaceutyki mogą przekształcać się w inne związki, których potencjał wywoływania efektów...
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Isolation and structure elucidation of phenolic compounds from Cyclopiasubternata Vogel (honeybush) intact plant and in vitro cultures
PublikacjaZ materiału roślinnego i hodowli tkankowych Cyclopia subternata Vogel (miodokrzew) wyizolowano i zidentyfikowano matodami NMR i MS 10 związków. m.in. z grupy flawonów i glikozydów izoflawonów. 6 z nich po raz pierwszy wykryto w tym gatunku roślin.
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Detekcja obumierania bakterii osadu czynnego
PublikacjaAnaliza składników głównych (PCA) jest narzędziem służącym wyodrębnieniu podstawowych czynników w rozważanych procesach w oparciu o dostępne pomiary. Zastosowanie PCA w monitorowaniu procesów pozwala na analizę pod kątem diagnostyki nie tylko wielkości mierzonych lecz również wielkości niedostępnych pomiarowo (ograniczenia technologiczne, koszty). Zaleta ta jest szczególnie istotna w przypadku biologicznej oczyszczalni ścieków,...
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Bisphenols and their derivatives in baby diaper samples.
PublikacjaMany common products contain and leach hazardous chemicals, including endocrine-disrupting chemicals such as bisphenols that are harmful to human health. For toddlers, this dangerousness is higher because of their not fully developed detoxification system. Due to this, bisphenols content in products such as baby diapers, should be monitored. Baby diapers not only remain in close contact with the skin, but are also used from the...
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Thermal properties of tetrabutylammonium bromotrichloro-, tribromochloro-and tetrabromoferrates(III)
PublikacjaW pracy badana jest termiczna dekompozycja związków tetrabutylammonium bromotrichloro-, tribromochloro-and tetrabromoferrates(III). Analizę termiczną (TG-MS, DTA, DTG i DSC) prowadzono w atmosferze argonu w zakresie temperatur 293-1073 K. Stałe produkty dekompozycji identyfikowano metodą dyfrakcji promieniowania rentgenowskiego.
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Simplified Distribution Grid Modelling for Connection Analyses
PublikacjaThis paper considers the modelling of medium and low voltage grids for the purpose of connection studies by distribution grid operators. Possible simplifications in grid modelling are discussed, which are acceptable from the viewpoint of the final result. The main driver of the modelling simplification is the MS Excel environment used as the computation platform, and the limitation of time for grid modelling.
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Solid phase synthesis of conjugates of tuftsin analogues with 1-nitro-acridine derivatives
PublikacjaZsyntetyzowano na fazie stałej koniugaty 1-nitro-akrydyny z pochodnymi tuftsyny modyfikowanymi na grupie epsilon-aminowej lizyny prostymi aminokwasami, np. alaniną, valiną, beta-alaniną. Końcowe produkty były charakteryzowane za pomocą MS, NMR, analizy elementarnej i przekazane do badań ich aktywności przeciwnowotworowej.
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Electrochemical simulation of enzymatic transformations studied for the selected antitumor acridine derivatives
PublikacjaThe elucidation of the metabolic pathways and the biotransformation mechanisms of potential drugs is a crucial point in drug development. It allows to know the activation routes of the new biologically active compounds, especially in respect to their possible toxicity. Generally, in vivo or in vitro experiments with liver microsomes or hepatocytes are performed. However, these testing schemes are tedious, time consuming and of...
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Electrochemistry meets enzymes: Investigation of the biotransformation pathway of C-1311 based on electrochemical simulation in comparison to in vitro methods.
PublikacjaThe knowledge of the metabolic pathways and the biotransformation of new drugs is one of the major challenges in pharmaceutical research. It is crucial for elucidation of degradation routes of the new biologically active compounds, especially in the area of possible toxicity. Conventional in vitro drug metabolism studies are based on incubating drug candidate with e.g. hepatocytes or, most importantly, liver cell microsomes and...
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Comprehensive determination of flavouring additives and nicotine in e-cigarette refill solutions. Part I: Liquid chromatography-tandem mass spectrometry analysis
PublikacjaLiquid chromatography-tandem mass spectrometry with electrospray ionization (HPLC-ESI–MS/MS) methods were developed for the simultaneous determination of 42 flavouring compounds and nicotine in liquids for e-cigarettes. The chromatographic separation was performed using an Ace® Ultracore™ SuperC18™ (100 × 2.1 mm, 2.5 μm) column in both acidic and alkaline pH conditions to separate all the compounds. A simple “dilute & shoot” approach...
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Relative quantification of pork and beef in meat products using global and species-specific peptide markers for the authentication of meat composition
PublikacjaWe used global and species-specific peptide markers for a relative quantitative determination of pork and beef in raw and processed meat products made of the two meat species. Four groups of products were prepared (i.e., minced raw meats, sausages, raw and fried burgers) in order to represent products with different extents of food processing. In each group, the products varied in the pork/beef proportions. All products were analysed...
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Superhydrophobic sponges based on green deep eutectic solvents for spill oil removal from water
PublikacjaThe paper described a new method for crude oil-water separation by means of superhydrophobic melamine sponges impregnated by deep eutectic solvents (MS-DES). Due to the numerous potential of two-component DES formation, simple and quick screening of 156 non-ionic deep eutectic solvents using COSMO-RS (Conductor-like Screening Model for Real Solvents) computational model was used. DES which were characterized by high solubility...
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Synthesis of linear tuftsin analogues modified at the epsilon-amino group of lysine
PublikacjaZsyntetyzowano na fazie stałej nowe analogi tuftsyny i retro-tuftsyny zawierające wiązanie isopeptydowe na epsilon-aminowej grupie lizyny jako potencjalne immunostymulatory. Do syntezy wykorzystano standardową procedurę Fmoc. Po zdjęciu osłon kwasem TFA końcowe związki były oczyszczane, liofilizowane i charakteryzowane: MS, HPLC i NMR.
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Methodological advances for selenium speciation analysis in yeast.
PublikacjaPrzedstawiono 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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A novel nucleotide found in human erythrocytes, 4-pyridone-3-carboxamide-1-beta-D-ribonucleoside triphosphate
PublikacjaZidentyfikowano nowy, nieznany nukleotyd, występujący w erytrocytach osób chorych na przewlekłą niewydolność nerek, w stężeniu porównywalnym do zawartości ATP. Nukleotyd ten wyizolowano chromatograficznie, a jego strukturę określono jako trójfosforan 4-piridono-3-karboksyamido-1-b-D-rybonukleozydu, na podstawie danych spektralnych UV, MS, IR i NMR.
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Analysis of multi-class pharmaceuticals in fish tissues by ultra-high-performance liquid chromatography tandem mass spectrometry
PublikacjaA new sensitive method based on pressurized liquid extraction (PLE) and purification by gel permeation chromatography (GPC) prior to ultra-high-performance liquid chromatography coupled to tandem mass spectrometry (UHPLC–MS/MS) was developed for the determination in fish homogenate, liver and muscle of twenty pharmaceuticals compounds and metabolites from seven commonly used therapeutic families. An extensive matrix effect evaluation...
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Degradation kinetics and mechanism of pentoxifylline by ultraviolet activated peroxydisulfate
PublikacjaDegradation of pentoxifylline (PTX) by sodium peroxydisulfate (SPDS) assisted by UV irradiation has been investigated in deionized water. The treatment was more favorable over direct photolysis or peroxydisulfate oxidation alone. The effects of various parameters, including different dosage of oxidant agent, PTX concentration, initial solution pH levels, and the presence of inorganic ions like chloride, nitrate and carbonate have...
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Serum bisphenol A concentrations correlate with serum testosterone levels in women with polycystic ovary syndrome
PublikacjaThe aim of this study was to determine serum bisphenol A (BPA) concentrations using high performance liquid chromatography with tandem mass spectrometry (HPLC–MS/MS) in women with polycystic ovary syndrome (PCOS) (n=106, age range 18–40 yrs) and to evaluate its potential impact on their hormonal and metabolic profile. The control group consisted of age- and BMI-matched 80 eumenorrheic women with no clinical or biochemical hyperandrogenism....
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A new dilution-enrichment sample preparation strategy for expanded metabolome monitoring of human breast milk that overcomes the simultaneous presence of low- and high-abundance lipid species
PublikacjaThe complex nature of human breast milk (HBM) makes samples difficult to analyze, requiring several extraction techniques and analytical platforms to obtain high metabolome coverage. In this work, we combined liquid-liquid extraction (LLE) and solid-phase extraction (SPE) techniques to prepare HBM samples to overcome the challenge of low- and high-abundance lipid species, enabling the semiquantitative analysis of total HBM lipids...
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Thermal analysis of manganese(II) complexes of general formula(Et4N)2[MnBrnCl4−n]
PublikacjaBadano termiczną dekompozycję związków zawierających aniony [MnBrnCl4−n]2− (n = 0-4) i kation tetraetylammonium. Wykorzystywano metody DSC i TG. Badania prowadzono w atmosferze argonu w temperaturze 173-500K (DSC)i 300-1073K (TG). Produkty dekompozycji określono za pomocą MS, FTIR, Far-FTIR i dyfraktometrii rentgenowskiej.
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SYNTHESIS OF PHOSPHORUS TACRINE ANALOGUES AS A NEW POTENTIAL ANTI-ALZHEIMER’S DISEASE AGENTS
PublikacjaA series of novel phosphorus tacrine derivatives was obtained in three steps, including synthesis of 9-chlorotacrine, connection of 9-chlorotacrine with hexamethylenediamine, 1,8-diaminooctane and 1,12-diaminododecane linkers and reaction of obtained tacrine diamine analogues with corresponding acid ester to give nine tacrine organophosphorus compounds. All of the obtained final structures were characterized by 1H NMR, 13C NMR,...
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Isolation of xanthone and benzophenone derivatives from Cyclopia genistoides (L.) Vent. (honeybush) and their pro-apoptotic activity on synoviocytes from patients with rheumatoid arthritis
PublikacjaA fast and efficient method for the isolation of the C-glucosidated xanthones mangiferin and isomangiferin from the South-African plant Cyclopia genistoides was developed for the first time. Two benzophenone derivatives: 3-C-β-glucosides of maclurin and iriflophenone, were isolated from C. genistoides extracts using semi-preparative. The structures of the compounds were determined by 1D and 2D NMR experiments and/or LC-DAD-ESI–MS.
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Determination of the chemical structure of potential organic impurities occurring in drug substance opipramol
PublikacjaThe tricyclic antipsychotic and antidepressant drug opipramol (opipramole) was examined with regard to the chemical structure of its organic impurities. Impurities were isolated from the technical product by chromatographic methods and their chemical structures were established by 1H NMR, MS and FTIR and further confirmed by comparison with commercially available products or with products obtained by independent synthesis, and...
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublikacjaThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
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Interspecific distribution and co-associations of chemical elements in the liver tissue of marine mammals from the Polish Economical Exclusive Zone, Baltic Sea
PublikacjaPrzeprowadzono analizy próbek wątroby ssaków morskich z Polskiej Strefy Ekonomicznej Morza Bałtyckiego w celu oznaczenia szerokiej gamy pierwiastków (mikro- i makroelementy) z wykorzystaniem takich technik analitycznych jak ICP-MS, ICP-AES oraz CV-AAS.Badano zależności pomiędzy zawartością poszczególnych pierwiastków a wiekiem, płcią, miejscem bytowania, sposobem odżywiania i gatunkiem ssaków.
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Exposure scenario and risk assessment of infants and newborns to bisphenols and their derivatives from diapers
PublikacjaNewborns and infants are more sensitive to harmful compounds such as bisphenols and their derivatives because of their not fully developed detoxification mechanism. Exposure to these substances can lead to developmental problems and health consequences in adulthood. Since disposable baby diapers are used from the first days of life and remain in contact with the baby skin, it seems important to monitor the levels of endocrine disrupting chemicals...
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Organic and conventional kiwifruit myths versus reality: antioxidant, antiproliferative and health effects
PublikacjaComparison between organic and conventional kiwifruit cultivars ''Hayward'' and ''Bidan'', which was done by four redical scavenging assays, ESI-MS, and DSC measurements, showed significant differences between 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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Thermal analysis of manganese(II) complexes of general formula (Bu4N)2[MnBrnCl4−n]
PublikacjaBadano termiczną dekompozycję związków zawierających aniony tetrahalogenomanganese(II), [MnBrnCl4−n]2−(n = 0-4) i kationy tetrabutylammonium. Stosowane metody to: DSC, TG-FTIR, TG-MS i DTA. Pomiary prowadzono w argonie i powietrzu w zakresie temperatur 173-450K (DSC) i 300-1073K (TG). Stałe produkty dekompozycji identyfikowano metodami spektroskopii FT-FIR i dyfraktometrii rentgenowskiej.
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Agile Methodology for Designing and Improving EnterpriseScenarios
PublikacjaPrzedstawiona została iteracyjna metoda projektowania i ulepszania scenariuszy biznesowych. Zaproponowana metoda definiuje etapy wytwarzania scenariuszy, zestaw metryki oceny jakości scenariuszy oraz zestaw procedur usprawnieniowych, które pozwalają zwiększyć wydajność scenariuszy, ich jakość oraz użyteczność. Proste studium przypadku zostało rozważane i jego ocena jakościowo-wydajnościowa omówiona. Jako przykład realizacji metody...
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NADPH-Cytochrome P-450 reductase in strongly involved in activating metabolic transformatios of 9-amino-1-nitroacridine antitumor agents
PublikacjaCelem pracy było wyjaśnienie roli reduktazy cytochromu P-450 jaką odgrywa ten enzym w przemianach metabolicznych dwóch związków przeciwnowotworowych z grupy pochodnych 1-nitroakrydyny. Zastosowano metodę HPLC do rozdziału metabolitów, a badania struktur przeprowadzono stosując metodę ESI-MS. Wykazano, że badana reduktaza jest zaangażowana bardziej w metabolizm aktywacyjny 1-nitroakrydyn niż metabolizm detoksykacyjny.
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublikacjaNystatin 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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Ekspertyza silnika trakcyjnego tramwaju Dűwag N8C pod kątem wyjaśnienia przyczyny występowania uszkodzeń tego typu silników
PublikacjaCelem badań było wykonanie ekspertyzy silnika trakcyjnego typu BGK, eksploatowanego w tramwaju Düwag N8C, pod kątem występowania uszkodzeń tych silników. W celu realizacji tego zadania przeprowadzono obserwowaną eksploatację w/w silnika w warunkach rzeczywistych. W tym celu opomiarowano silnik rejestrując w sposób ciągły bieżące wartości prądów i napięć występujących na obu uzwojeniach silnika tj, na uzwojeniu twornika i wzbudzenia....
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Time Synchronization between the eNBs in E-UTRAN under the Asymmetric IP Network
PublikacjaIn this paper, we present a method for a time synchronization between the two eNodeBs (eNBs) in E-UTRAN (Evolved Universal Terrestrial Radio Access) network. The...