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Search results for: SFC-MS/MS
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Thermal behaviour of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the thermal behavior of the ammonium vanadate nanostructures obtained by the hydrothermal method with different conditions. Thermogravimetric analysis (TG) was carried out under an argon atmosphere from 40C to 560C (with a heating rate of 10 C/min) using Netzsch STA 449 F1. The thermal behavior was also studied with mass spectrum...
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Thermal behaviour of commercial avaible NH4VO3
Open Research DataThe DataSet contains the results of the thermal behavior of the commercially available ammonium metavanadate (CAS 7803-55-6) under argon and nitrogen atmosphere. Thermogravimetric analysis (TG) was carried out under argon or nitrogen atmosphere from 40C to 560C (with a heating rate of 10 C/min) using Netzsch STA 449 F1. The thermal behavior was also...
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Multivariate Statistical Approach for Nephrines in Womenwith Obesity
PublicationCatecholamines 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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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe 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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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 template synthesis and complexation properties of the methoxypyrogal-lo[4]arene
PublicationZaprezentowano 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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Ultrasonic wave propagation and digital image correlation measurements of steel bars under 3-point bending
Open Research DataThe DataSet contains the results of the mechanical behaviour of a bar under a 3-point bending test. The bar was made of steel and had a cross-section of 5.96 × 5.96 mm2 and a length of 200 mm. The three-point bending test was performed using a Zwick/Roell Z10 universal testing machine (UTM), with a distance between supports of 12 cm. The parameters...
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The Current State-of-the-Art in the Determination of Pharmaceutical Residues in Environmental Matrices Using Hyphenated Techniques
PublicationSeveral 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
PublicationIncreasing 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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On a matching distance between rooted phylogenetic trees
PublicationThe 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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Emission Profiles of Volatiles during 3D Printing with ABS, ASA, Nylon, and PETG Polymer Filaments
PublicationIn this short communication we characterize the emission of volatile organic compounds (VOCs) from fused filament fabrication (FFF) 3D printing using four polymer materials, namely polyethylene terephthalate glycol-modified (PETG), acrylonitrile styrene acrylate (ASA), Nylon, and acrylonitrile butadiene styrene (ABS). Detailed emission profiles are obtained during thermal degradation of the polymers as a function of temperature...
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Proton Transfer Reaction Mass Spectrometry for Plant Metabolomics
PublicationVolatile 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
PublicationW 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
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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Bifurkacje w równaniach mechaniki sprężystej
e-Learning Coursesgrupa zajęciowa: studenci I stopnia kierunku Matematyka, specjalności Matematyka Stosowana (MS), semestru 6 rok akademicki: 2022/2023
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Studies on fluorene stability in different liquid media. Badania stabilności fluorenu w środowiskach ciekłych.
PublicationPrzedstawiono 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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Thermal behavior of VO2/V2O3 nanostructures obtained at 500°C under argon atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the VO2/V2O3 nanostructures. The vanadium oxides nanostructures were synthesized by the sol-gel method, where obtained xerogel powder was annealing at 500°C under an argon atmosphere. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behavior of VO2/V2O3 nanostructures obtained at 1000°C under argon atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the VO2/V2O3 nanostructures. The vanadium oxides nanostructures were synthesized by the sol-gel method, where obtained xerogel powder was annealing at 1000°C under an argon atmosphere. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behavior of VO2/V2O3 nanostructures obtained at 650°C under reducing atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the VO2/V2O3 nanostructures. The vanadium oxides nanostructures were synthesized by the sol-gel method, where obtained xerogel powder was annealing at 650°C under a reducing atmosphere (95% Ar 5% H2). The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behavior of VO2/V2O3 nanostructures obtained at 400°C under argon atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the VO2/V2O3 nanostructures. The vanadium oxides nanostructures were synthesized by the sol-gel method, where obtained xerogel powder was annealing at 400°C under an argon atmosphere. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behavior of VO2/V2O3 nanostructures obtained at 700°C under argon atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the VO2/V2O3 nanostructures. The vanadium oxides nanostructures were synthesized by the sol-gel method, where obtained xerogel powder was annealing at 700°C under an argon atmosphere. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behavior of VO2/V2O3 nanostructures obtained at 800°C under argon atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the VO2/V2O3 nanostructures. The vanadium oxides nanostructures were synthesized by the sol-gel method, where obtained xerogel powder was annealing at 800°C under an argon atmosphere. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behavior of VO2/V2O3 nanostructures obtained at 600°C under argon atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the VO2/V2O3 nanostructures. The vanadium oxides nanostructures were synthesized by the sol-gel method, where obtained xerogel powder was annealing at 600°C under an argon atmosphere. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Pozostałości farmaceutyków w środowisku - problem daleki od rozwiązania
PublicationDo 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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Nowe metody do badań składników obcych w miodach pszczelich
PublicationPszczoły, zbierając nektar, pyłek kwiatowy i spadź narażone są na częsty kontakt ze szkodliwymi substancjami (stosowanymi w rolnictwie) osadzonymi na roślinach i przenoszą te zanieczyszczenia - na powierzchni ciała lub wraz z pożytkami - do ula, i w konsekwencji zanieczyszczenia przedostają się do miodu.W związku z możliwością zanieczyszczenia miodu przez pestycydy należące do różnych klas związków chemicznych, pomocne okazuje...
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Analiza i badania pomiarowe dokładności lokalizowania terminali ruchomych w sieciach komórkowych
PublicationJakość 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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A screening of select toxic and essential elements and persistent organic pollutants in the fur of Svalbard reindeer
PublicationReindeers play an important role in the polar ecosystem, being long-lived sole vegetarians feeding on local vegetation. They can be used as a valuable bioindicator, helping us to understand contaminants’ impact on the polar terrestrial ecosystem. Still, scarce data exist from research in which polar herbivores (especially those from the European parts of the Arctic) were a major study subject for trace elements and persistent organic...
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Application of headspace-solid phase microextraction followed by gas chromatography-mass spectrometry to determine short-chain monocarboxylic acids in cattle farm wastewater and waste landfill leachates
PublicationZaproponowano metodykę oznaczania krótkołańcuchowych kwasów monokarboksylowych w ściekach z hodowli bydła i odciekach ze składowisk zawierających organiczne odpady, oparta na technice mikroekstrakcji do fazy stacjonarnej z fazy nadpowierzchniowej próbek ciekłych, w połączeniu ze sprzężonym układem GC-MS.
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Isolation and structure elucidation of phenolic compounds from Cyclopiasubternata Vogel (honeybush) intact plant and in vitro cultures
PublicationZ 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
PublicationAnaliza 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.
PublicationMany 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)
PublicationW 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
PublicationThis 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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2 Latin letters by Georg Pauli (b.1586-d.1650) - transcription, translation and photographs
Open Research DataThe data set contains two Latin letters by Georg Pauli (b. 1586 – d. 1650) to his brother Adrian (d. 1622) in photographs, transcriptions, and translations into Polish and English. The first letter was sent by Georg from Gdańsk (formerly Danzig) in 1604 when he was still a student at the local Academic Gymnasium. The second one, in turn, was written...
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Raw material influence on volatile composition of agricultural distillates
PublicationCelem prezentowanej pracy było określenie za pomocą techniki HS-SPME/GC-MS charakterystycznych związków markerowych pozwalających na identyfikację pochodzenia surowcowego destylatów rolniczych. Przeprowadzone badania wskazały kilkanaście związków na podstawie obecności których można określić surowiec jakiego użyto przy produkcji destylatu.
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Electrochemical simulation of enzymatic transformations studied for the selected antitumor acridine derivatives
PublicationThe 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.
PublicationThe 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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Solid phase synthesis of conjugates of tuftsin analogues with 1-nitro-acridine derivatives
PublicationZsyntetyzowano 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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Comprehensive determination of flavouring additives and nicotine in e-cigarette refill solutions. Part I: Liquid chromatography-tandem mass spectrometry analysis
PublicationLiquid 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
PublicationWe 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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Green, simple analytical method for biogenic amines determination in fruit juice samples using salting-out assisted liquid-liquid microextraction and gas chromatography-mass spectrometry
PublicationSalting-out assisted liquid-liquid microextraction (SALLME) was integrated with the derivatization procedure to establish a one-step sample pre-treatment approach for rapid analysis of 14 biogenic amines (BAs) in fruit juices. The methodology consists of salting-out of analytes, derivatization with ethyl chloroformate (ECF), extraction with ethyl acetate (EtAc), and the analysis of the derivatized BAs using gas chromatography-mass...
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Alicja Lizut-Ambroziak inż.
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Superhydrophobic sponges based on green deep eutectic solvents for spill oil removal from water
PublicationThe 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
PublicationZsyntetyzowano 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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Krzysztof Żółtowski dr hab. inż.
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2023/2024 Metody Badań Strukturalnych CHEMIA
e-Learning CoursesPrzyswojenie wiedzy w zakresie stosowania podstawowych metod spektralnych do analizy strukturalnej oraz praktycznej interpretacji widm IR, UV-VIS, 1H, 13C i 19F NMR, MS związków organicznych
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Metody Badań Strukturalnych - laboratorium
e-Learning CoursesKurs zawiera materiały do laboratorium z Metod Badań Strukturalnych dla studentów kierunku Chemia (studia I stopnia) semestru II (semestr letni) i składa się ze zbioru widm NMR, IR, MS i widm złożonych do samodzielnego rozwiązywania
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2023/2024 Metody Badań Strukturalnych TECHNOLOGIA CHEMICZNA
e-Learning CoursesPrzyswojenie wiedzy w zakresie stosowania podstawowych metod spektralnych do analizy strukturalnej oraz praktycznej interpretacji widm IR, UV-VIS, 1H, 13C i 19F NMR, MS związków organicznych
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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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A novel nucleotide found in human erythrocytes, 4-pyridone-3-carboxamide-1-beta-D-ribonucleoside triphosphate
PublicationZidentyfikowano 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.