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Wyniki wyszukiwania dla: PROTON TRANSFER REACTION MASS SPECTROMETRY
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Bezpośrednia analiza próbek z wykorzystaniem techniki spektrometrii mas. Cz. II. Technika PTR – MS – ciekawe rozwiązanie metodyczne w zakresie spektrometrii mas
PublikacjaTechnika spektrometrii mas stanowi niezwykle istotne narzędzie badawcze, umożliwiające uzyskanie wielu cennych informacji, dotyczących składu chemicznego wielu próbek rzeczywistych pochodzenia biologicznego, farmaceutycznego i spożywczego. Spektrometr mas zazwyczaj pełni role detektora w przypadku stosowania połączenia z urządzeniami chromatograficznymi (GC, LC). Dzięki zastosowaniu pewnych modyfikacji aparaturowych i metodycznych,...
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Real-time monitoring of the emission of volatile organic compounds from polylactide 3D printing filaments
PublikacjaEstablishing the emission profile of volatile organic compounds generated during fused deposition modeling 3D printing using polymer filaments is important in terms of both understanding the processes taking place during thermal degradation of thermoplastics, and assessing the user's exposure to potentially harmful volatiles. However, obtaining detailed, real-time qualitative and quantitative results poses a challenge. In this...
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Understanding the early-stage release of volatile organic compounds from rapeseed oil during deep-frying of tubers by targeted and omics-inspired approaches using PTR-MS and gas chromatography
PublikacjaDuring deep-frying, a plethora of volatile products is emitted with the fumes. These compounds could act as oil quality indicators and change the indoor air composition leading to health risks for occupants. The presented experiments focus on deep-frying of different tubers in rapeseed oil at different frying temperatures. Here, two scenarios for real-time monitoring of volatile organic compounds (VOCs) using proton transfer reaction...
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublikacjaWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Volatile Compound Emissions from Stereolithography Three-Dimensional Printed Cured Resin Models for Biomedical Applications
PublikacjaStereolithography three-dimensional printing is used increasingly in biomedical applications to create components for use in healthcare and therapy. The exposure of patients to volatile organic compounds (VOCs) emitted from cured resins represents an element of concern in such applications. Here, we investigate the biocompatibility in relation to inhalation exposure of volatile emissions of three different cured commercial resins...
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Real-time monitoring of volatiles and particles emitted from thermoplastic filaments during 3D printing
PublikacjaThe proliferation of consumer-grade three-dimensional (3D) printers using fused deposition, also known as fused filament fabrication, has given rise to concerns over the exposure of users to potentially harmful substances. Thermoplastic filaments made of different polymers are extruded through a heated printer nozzle and deposited layer by layer on a build platform to form the printed object. This process leads to the emission...
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Proton affinity and proton transfer energy for selected organic molecules
PublikacjaThe Hartree-Fock method in 6-311G** molecular orbitals basis set has been applied to calculations of proton affinities and proton transfer reaction energies for water, methanol, acetaldehyde, ethanol, acetone, acetic acid, methyl acetate and ethyl acetate.
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Dopants and gas modifiers in ion mobility spectrometry
PublikacjaThe ion mobility techniques, including the most commonly used drift-tube ion mobility spectrometry (IMS) and differential mobility spectrometry (DMS), are used successfully for the detection of a wide range of organic compounds in the gas phase. In order to improve detection quality, admixtures are added to gas streams flowing through the detector. Dopants mostly prevent the ionization of interfering chemicals however, better detection...
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Proton transfer reactions for ionized water clusters
PublikacjaCalculations of formation energies of the ionized water clusters and energies of reactions between small (including less than eight water molecules) neutral and positively ionized water clusters are presented. Moreover, we discuss some reaction paths between neutral and positively charged dimers, trimers and tetramers and proton transfer reactions (PTR) between cyclic clusters and H3O+ ions which can appear in beam experiments...
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Mass transfer in Spinning Fluids Reactor — Measurement and prediction
PublikacjaSpecific mass transfer area (a) and overall volumetric mass transfer coefficient (kLa) are mass transfer parameters commonly used in the description and comparison of various chemical reactors’ constructions. Determination of these was performed for Spinning Fluids Reactor (SFR). Sodium sulfite oxidation in the presence of cobalt ion catalyst was used for the determination of a and kLa. The a and kLa were successful predicted....
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Improvement of radiotracers experiments in mass transfer processes
PublikacjaThe greatest part of industrial mass transfer is based on continuous transportation of different substances throughout especially constructed installations. In that kind of practice, a flow of such mass in each part determines the process unit and can be described by the residence time distribution (RTD) of the substance inside this unit. This parameter may be evaluated by the properly arranged tracer experiment. It is worthwhile...
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Two-Dimensional Gas Chromatography Coupled With Mass Spectrometry in Food Analysis
PublikacjaThe development of instrumental analytical techniques provided the opportunity for in-depth characterization of many food matrices. In particular, the use of gas chromatography coupled with mass spectrometry gives impressive results in terms of quality and authenticity testing, conducting food freshness evaluations and contamination assessments. A new variant of gas chromatography, namely two-dimensional gas chromatography (GC...
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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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Modelling of heat and mass transfer through wooden buildings
PublikacjaThe aim of this review paper is to examine the most recent available studies dealing with theoretical, numerical and experimental aspects related to modelling of heat and mass transfer through wooden buildings. The main thermophysical, mechanical and hygrometric properties of wood are firstly discussed. Then, the basic governing equations of heat and mass transfer phenomena are presented. A detailed description of the physical...
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Proton transfer reaction from some C–H acids to N-bases in polar aprotic solvents
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublikacjaExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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Comprehensive two-dimensional gas chromatography-mass spectrometry: Recent evolution and current trends
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublikacjaThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Application of safirinium N-hydroxysuccinimide esters to derivatization of peptides for high-resolution mass spectrometry, tandem mass spectrometry, and fluorescent labeling of bacterial cells
PublikacjaMass spectrometry methods are commonly used in the identification of peptides and biomarkers. Due to a relatively low abundance of proteins in biological samples, there is a need for the development of novel derivatization methods that would improve MS detection limits. Hence, novel fluorescent N-hydroxysuccinimide esters of dihydro-[1,2,4]triazolo[4,3-a]pyridin-2-ium carboxylates (Safirinium P dyes) have been synthesized. The...
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The impedance of hydrogen oxidation reaction in a proton exchange membrane fuel cell in the presence of carbon monoxide in hydrogen stream
PublikacjaEvaluation of performance of a proton exchange membrane fuel cell, which is affected by carbon monoxide that pollutes the hydrogen stream, was presented. This influence was studied for carbon monoxide concentration of 125–325 ppb, which are close to values specified in ISO 14687:2019 standard. Performed studies provided crucial information for further development of fuel cell as an energy source for automotive application. Impedance...