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Wyniki wyszukiwania dla: quadrupole time of flight mass spectrometry
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Revealing dynamic changes of the volatile profile of food samples using PTR–MS
PublikacjaVolatile compounds carry valuable information regarding the properties of foodstuffs. Volatiles emitted from food can be used as, for example, indicators of quality, shelf-life, or authenticity. A better understanding of the multitude of transformations which occur during food processing could facilitate the optimisation of production, increase the desirability of food products, and also their wholesomeness. However, as some of...
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Synergistic Effects of Bitumen Plasticization and Microwave Treatment on Short-Term Devulcanization of Ground Tire Rubber
PublikacjaGround tire rubber (GTR) was mechano-chemically modified with road bitumen 160/220 and subsequently treated using a microwave radiation. The combined impact of bitumen 160/220 content and microwave treatment on short-term devulcanization of GTR was studied by thermal camera, wavelength dispersive X-ray fluorescence spectrometry (WD-XRF), static headspace, and gas chromatography-mass spectrometry (SHS-GC-MS), thermogravimetric analysis...
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Non-enzymatic glutathione-mediated conjugation of unsymmetrical bisacridine C-2028 with anticancer activity
Dane BadawczeThe presented data complement the studies on the interplay between C-2028 (anticancer-active unsymmetrical bisacridine) and the glutathione S-transferase/glutathione (GST/GSH) system.
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Analytical procedures for the determination of surfactants in environmental samples
PublikacjaBecause of their specific physical and chemical properties (amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate.In the...
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Two-photon double ionization of atoms in attosecond x-ray radiation fields
PublikacjaWe consider two-photon double ionization of helium with 100, 200, and 400 eV excess energy for the two ejected electrons, corresponding to photon energies of 89.5, 139.5, and 239.5 eV, respectively. We focus on the case of ultrashort pulses (two oscillations of the field) and develop an approach to calculate the two-photon transition matrix elements within the lowest order of the time-dependent perturbation theory. One of the...
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Development and validation of a method for the simultaneous analysis of fatty acid ethyl esters, ethyl sulfate and ethyl glucuronide in neonatal meconium: application in two cases of alcohol consumption during pregnancy
PublikacjaAlcohol consumption during pregnancy constitutes one of the leading preventable causes of birth defects and neurodevelopmental disorders in the exposed children. Fatty acid ethyl esters (FAEEs), ethyl glucuronide (EtG) and ethyl sulfate (EtS) have been studied as potential biomarkers of alcohol consumption. However, most analytical approaches proposed for their analysis in meconium samples consist of separated extraction procedures...
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The difficulties in polybrominated diphenyl ethers identification by GC-EI-MS technique
PublikacjaAwareness about the harmful effects of brominated flame retardants on living organisms increases mainly due to link their presence in the human environment with health disorders. Therefore is a need to conduct research aimed at content control of these chemicals in the environment. Recent improvements in injection techniques and mass spectrometer ionization methods have led to a variety of options to determine PBDEs in environmental...
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Isoprostanes-Biomarkers of Lipid Peroxidation: Their Utility in Evaluating Oxidative Stress and Analysis
PublikacjaIsoprostanes (IsoPs) are key biomarkers for investigating the role of free radical generation in the pathogenesis of human disorders. To solve IsoPs-related problems with regard to isoprostanes, analytical tools are required. This paper reviews the problems and trends in this field focusing on the methodology for assaying biomarkers in exhaled breath condensate (EBC) samples. A large amount of work has been done in the qualitative...
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Prediction of the Biogenic Amines Index of Poultry Meat Using an Electronic Nose
PublikacjaThe biogenic amines index of fresh chicken meat samples during refrigerated storage was predicted based on the headspace analysis using an electronic nose equipped with an array of electrochemical sensors. The reference biogenic amines index values were obtained using dispersive liquid–liquid microextraction–gas chromatography–mass spectrometry. A prototype electronic nose with modular construction and a dedicated sample chamber...
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Rapid Evaluation of Poultry Meat Shelf Life Using PTR-MS
PublikacjaThe use of proton transfer reaction mass spectrometry (PTR-MS) for freshness classification of chicken and turkey meat samples was investigated. A number of volatile organic compounds (VOCs) were selected based on the correlation (> 95%) of their concentration during storage at 4 °C over a period of 5 days with the results of the microbial analysis. In order to verify if the selected compounds are not sample-specific, a number...
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Exposure to cooking emitted volatile organic compounds with recirculating and extracting ventilation solutions
PublikacjaEnergy-efficient urban development leads to the compact design of apartments. Recirculating ventilation solutions are an attempt to minimize the space required for ventilation ducting, but more data on their performance are needed. Cooking is a major source of volatile organic compounds (VOCs) emissions. It is necessary to assess how well recirculating kitchen hoods perform in reducing the residents' exposure to cooking fumes compared...
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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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X-ray diffraction (XRD) of bulk boron and borophene flakes after the ball-milling process at different operating parameters
Dane BadawczeThese data include X-ray diffraction patterns of bulk boron and borophene obtained during ball milling at different rotation speeds, time and mass loadings. The data were collected to investigate the crystal structure of the studied materials.
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Electron-impact ionization cross section of formic acid
PublikacjaExperimental electron-impact ionization cross sections of one of the simplest carboxylic acids, formic acid, are presented. The molecular target was studied in two independent experimental setups applying different methods: the total ion collection and the electron–impact mass spectrometry methods. Experimental data were taken at incident electron energies ranging from ionization threshold [11.31 eV; J.C. Traeger, Int. J. Mass...
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Characterization of volatile compounds, structural, thermal and physico-mechanical properties of cross-linked polyethylene foams degraded thermo-mechanically at variable times
PublikacjaWaste cross-linked polyethylene foam (wXLPE) was thermo-mechanically degraded at variable time using internal batch mixer. The progress of wXLPE degradation has been investigated by using a simultaneous thermogravimetric/differential scanning calorimetry analyzer coupled with Fourier transform infrared spectroscopy, swelling measurements, tensile tests and scanning electron microscopy. Volatile organic compounds generated during...
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Method for the simultaneous determination of monoaromatic and polycyclic aromatic hydrocarbons in industrial effluents using dispersive liquid-liquid microextraction with GC-MS
PublikacjaWe present a new method for simultaneous determination of 22 monoaromatic and polycyclic aromatic hydrocarbons in postoxidative effluents from the production of petroleum bitumen using dispersive liquid-liquid microextraction coupled to gas chromatography and mass spectrometry. The eight extraction parameters including the type and volume of extraction and disperser solvent, pH, salting out effect, extraction and centrifugation...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublikacjaFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Electrochemical and in silico approaches for liver metabolic oxidation of antitumor-active triazoloacridinone C -1305
Publikacja5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) is a promising antitumor compound developed in our laboratory. A better understanding of its metabolic transformations is still needed to explain the multidirectional mechanism of pharmacological action of triazoloacridinone derivatives at all. Thus, the aim of the current work was to predict oxidative pathways of C-1305 that would reflect its phase I metabolism. The...
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Nowe substancje psychoaktywne. Cz. I. Współczesna sytuacja narkotykowa
PublikacjaGwałtowny wzrost liczby substancji wprowadzanych na rynek narkotykowy został zaobserwowany już pod koniec lat dziewięćdziesiątych XX wieku. Każdego roku syntezowane są nowe substancje jako analogi już istniejących, a ich ilość systematycznie rośnie. Niejednokrotnie wprowadzenie niewielkiej zmiany w strukturze związku może spowodować znaczne zmiany ich właściwości fizykochemicznych oraz psychoaktywnych. Nowe substancje psychoaktywne...
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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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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublikacjaThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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A Review of Antennas for Indoor Positioning Systems
PublikacjaThis paper provides a review of antennas applied for indoor positioning or localization systems. The desired requirements of thoseantennas when integrated in anchor nodes (reference nodes) are discussed, according to different localization techniques and theirperformance. The described antennas will be subdivided into the following sections according to the nature of measurements:received signal strength (RSS), time of flight (ToF),...
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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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Key-Marker Volatile Compounds in Aromatic Rice (Oryza sativa) Grains: An HS-SPME Extraction Method Combined with GC×GC-TOFMS
PublikacjaThe aroma of rice essentially contributes to the quality of rice grains. For some varieties, their aroma properties really drive consumer preferences. In this paper, using a dynamic headspace solid-phase microextraction (HS-SPME) system coupled to a two-dimensional gas chromatography (GC×GC) using a time-of-flight mass spectrometric detector (TOFMS) and multivariate analysis, the volatile compounds of aromatic and non-aromatic...
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Multi-residue method for the determination of 16 recently used pesticides from various chemical groups in aqueous samples by using DI - SPME coupled with GC-MS
PublikacjaA simple and solvent-free multi-residue method has been optimized to determine 16 currently used pesticides from different chemical groups in aqueous samples. The extraction of analytes was carried out with direct immersion solid-phase microextraction (DI-SPME) and for the identification and quantitative determination gas chromatography coupled with mass spectrometry (GC-MS) was applied. Two commonly used adsorbent coatings have...
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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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An odor-sensing system - powerful technique for foodstuff studies
PublikacjaThis work examines gas sensor array technology combined with multivariate data processing methods and demonstrates a promising potential for rapid, non-destructive analysis of food. Main attention is focused on detailed description of sensor used in e-nose instruments, construction, and principle of operation of these systems. Moreover, this paper briefly reviews the progress in the field of artificial olfaction and future trends...
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A fast and convenient method for analysis of collagen hydrolysis products Szybka i dogodna metoda analizy produktów hydrolizy kolagenu
PublikacjaPolypeptides produced by hydrolysis of collagen from minced animal hide and skin scraps were studied by mass spectrometry (MS) in conjunction with electrophoresis to det. their mol. mass. The degree of peptides ionisation was ca 50+. This allowed for observation of the large polypeptide chains with mass analyzers with a relatively low m/z range. The electrospray and atm. pressure photoionization techniques were used. The polypeptide...
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Studies on Silver Ions Releasing Processes and Mechanical Properties of Surface-Modified Titanium Alloy Implants
PublikacjaDispersed silver nanoparticles (AgNPs) on the surface of titanium alloy (Ti6Al4V) and titanium alloy modified by titania nanotube layer (Ti6Al4V/TNT) substrates were produced by the chemical vapor deposition method (CVD) using a novel precursor of the formula [Ag5(O2CC2F5)5(H2O)3]. The structure and volatile properties of this compound were determined using single crystal X-ray diffractometry, variable temperature IR spectrophotometry...
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Evaluation of the Impact of Storage Conditions on the Biogenic Amines Profile in Opened Wine Bottles
PublikacjaA survey of biogenic amine (BA) profiles in opened wine bottles has been established to monitor the level of biogenic amines (BAs) in opened bottles against time and other conditions. Bottles of red and white wine were submitted to different temperatures, stopper type (screw cap, cork), and use of vacuum devices. A total of six wines made from a variety of grapes were obtained from vineyards from regions across Poland. Dispersive...
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AFM (atomic force microscopy) images of borophene flakes obtained during ball milling at different operating parameters
Dane BadawczeThis dataset contains atomic force microscopy (AFM) images of representative borophene flakes obtained during ball milling. The operational parameters of the ball-milling process included rotation speed (250, 450, and 650 rpm), time of ball-milling (1, 3, 6, and 12 h), and the mass loading of starting bulk boron (1, 2, 3 g).
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Determination of the substances potentially allergenic in water
PublikacjaPersonal care chemicals are continuously released into environment through domestic and industrial wastewater, causing adverse effects on human health. Their presence can be detected in different environmental compartments. A group of chemicals included in most personal care products are the allergen fragrances. In the present work, simple and rapid methodology based on ultrasound-assisted emulsification-microextraction (USAEME)...
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Potential of novel atomic emission techniques as a tool for investigation of the possibilities of using industrial waste as additives in construction materials
PublikacjaNowadays, due to the global ecological crisis and ways to prevent a climate disaster, more and more attention is paid to green techno-logies and green Chemistry, which are part of the so-called “The Green Deal.” The main assumption is the optimization of the processes of producing necessary goods and the implementation of methods of managing postproduction waste in the least environmentally harmful manner. In the presented research,...
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Storing Matter’technique in SIMS depth profile analysis
PublikacjaSecondary ion mass spectrometry (SIMS) is a very useful technique for the analysis of layered systems. It is based on the primary ion beam sputtering of solids and mass analysis of the emitted secondary ions. A main limitation of this technique results from the direct quantitative analysis, since the ionization efficiency of a given atom is highly influenced by the neighbouring atoms at the surface. This phenomenon is known as...
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Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran
PublikacjaThe interactions of electrons with molecular systems under various conditions are essential to interdisciplinary research fields extending over the fundamental and applied sciences. In particular, investigating electron-induced ionization and dissociation of molecules may shed light on the radiation damage to living cells, the physicochemical processes in interstellar environments, and reaction mechanisms occurring in combustion...
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UV-induced electron transfer between triethylamine and 5-bromo-2′-deoxyuridine. A puzzle concerning the photochemical debromination of labeled DNA
Publikacja5-Bromo-2'-deoxyuridine (BrdU) photosensitizes DNA to strand break formation. However, this type of photodamage is completely quenched by the presence of triethylamine (TEA) which originates from RP-HPLC purification commonly employed by oligonucleotide providers. While the presence of TEA in oligonucleotide samples does not interfere with PCR or other molecular biology applications, the mechanism of photochemical reaction proceeding...
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In-tube extraction for the determination of the main volatile compounds in Physalis peruviana L
PublikacjaAn analytical procedure based on in-tube extraction followed by gas chromatography with mass spectrometry has been developed for the analysis of 24 main volatile components in cape gooseberry (Physalis peruviana L.) samples. According to their chemical structure, the compounds were organized into different groups: one hydrocarbon, one aldehyde, four alcohols, four esters, and 14 monoterpenes. By single-factor experiments, incubation...
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Exhaled breath analysis by resistive gas sensors
PublikacjaBreath analysis has attracted human beings for centuries. It was one of the simplest methods to detect various diseases by using human smell sense only. Advances in technology enable to use more reliable and standardized methods, based on different gas sensing systems. Breath analysis requires the detection of volatile organic compounds (VOCs) of the concentrations below individual ppm (parts per million). Therefore, advanced detection...
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Determination of Glycerol, Propylene Glycol, and Nicotine as the Main Components in Refill Liquids for Electronic Cigarettes
PublikacjaRefill liquids for electronic cigarettes are an important area of research due to the health safety and quality control of such products. A method was developed for the determination of glycerol, propylene glycol, and nicotine in refill liquids using liquid chromatography, coupled with tandem mass spectrometry (LC-MS/MS) in multiple reaction monitoring (MRM) mode with electrospray ionisation (ESI). Sample preparation was based...
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Distinct cellular uptake patterns of two anticancer unsymmetrical bisacridines and their metabolic transformation in tumor cells.
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents. Their high cytotoxicity towards multiple human cancer cell lines and inhibition of human tumor xenograft growth in nude mice signal their potential for cancer treatment. Therefore, the mechanism of their strong biological activity is broadly investigated. Here, we explore the efflux and metabolism of UAs, as both strongly contribute to the development...
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Chemical and biological characterization of Ocimum basilicum L. phenolic extract and essential oil derived through ultrasound and microwave-assisted extraction techniques
PublikacjaPlant-derived bioactive molecules are increasingly utilized in food processing as natural additives, driven by a growing interest in healthier lifestyles. This trend has spurred industries to reformulate products to meet the demands of health-conscious consumers. This study investigates the phenolic extract and essential oil of O. basilicum L. obtained via ultrasound-assisted extraction and microwave-assisted extraction, respectively. Characterization...
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Polymeric metal‐containing ionic liquid sorbent coating for the determination of amines using headspace solid‐phase microextraction
PublikacjaThis study describes the design, synthesis, and application of polymeric ionic liquid sorbent coatings featuring nickel metal centers for the determination of volatile and semivolatile amines from water samples using headspace solidphase microextraction. The examined polymeric ionic liquid sorbent coatings were composed of two ionic liquid monomers (tetra(3-vinylimidazolium)nickel bis[(trifluoromethyl)sulfonyl]imide [Ni2+(VIM)4]...
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The dispersive micro-solid phase extraction method for MS-based lipidomics of human breast milk*
PublikacjaA simple and rapid microextraction method ensuring high lipidome coverage was developed for liquid chromatography mass spectrometry (LC-MS)-based lipidomics of human breast milk. The dispersive microsolid phase extraction (D-µ-SPE) technique, coupled with the design of experiment (DoE) method, enabled the study of the influence of several conditions (desorption solvent, stationary phase ratio, and sorption and desorption time)...
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Development and Validation of SPE-HPLC-MS/MS Method for Determining Cyclophosphamide in Surface Waters
PublikacjaA rapid and selective method for trace amounts determination of cyclophosphamide in surface water samples has been developed. A solid phase extraction SPE method for extraction and clean-up procedure has been optimized for determination by reversed-phase high-performance liquid chromatography with tandem mass spectrometry. The analyses proceed in the positive ion mode by means of the electrospray ionization method (ESI). Clean...
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Investigation of the C-1311 glucuronidation: an electrochemical approach
Dane BadawczeThis study was undertaken to investigate the glucuronidation of the compound C-1311 (5-diethylaminoethylamino-8-hydroxyimidazoacridinone – the model anticancer acridine derivative) using electrochemistry/mass spectrometry (EC/MS) as a complementary technique to in vitro (liver microsomes) and in silico approaches.
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Exploration of optical fibres as a carrier for new benzene and toluene matrix-free reference materials
PublikacjaTo meet high expectations concerning precision and accuracy of reference materials, preparation of matrixfree reference materials using thermal decomposition-gas chromatography-mass spectrometry (TD-GC-MS) was proposed in this study. In the paper, the results obtained in preparation of the new reference materials for benzene and toluene are presented, based on the thermal decomposition technique of compounds chemically bound to...
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Determination of impurities in pharmaceutical products using LC-MS
PublikacjaPharmaceutical products can be contaminated by residues of solvents, reagents (used for the synthesis) or degradation products. Impurities in drug may pose a risk to human health and life, therefore analysis and identification of impurities in pharmaceutical products is veryimportant and inevitable.High performance liquid chromatography coupled with mass spectrometry (MS) is very useful technique for identification impurities in...
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Anionic states of C6Cl6 probed in electron transfer experiments
PublikacjaThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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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...