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A comprehensive lipidomic analysis of oilseeds using LC-Q-TOF-MS and dispersive micro-solid phase (D-μ-SPE) extraction techniques
PublicationGrowing public health awareness increased the demand for natural products with positive health benefits. Vegetable oils containing omega-3 fatty acids (FA) such as alpha-linolenic acid (ALA) has been proposed as a possible source of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). In this work, a comprehensive lipidome analysis and comparison of seven oilseeds, including flaxseed, chia, hemp, black cumin, white sesame,...
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Untargeted Lipidomics Reveals Differences in the Lipid Pattern among Clinical Isolates of Staphylococcus aureus Resistant and Sensitive to Antibiotics
PublicationStaphylococcus aureus resistance to antibiotics is a significant clinical problem worldwide. In this study, an untargeted lipidomics approach was used to compare the lipid fingerprints of S. aureus clinical isolates that are resistant and sensitive to antibiotics. High-performance liquid chromatography coupled with time-of-flight mass spectrometry was employed to rapidly and comprehensively analyze bacterial lipids. Chemometric...
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The content of biogenic amines in Rondo and Zweigelt wines and correlations between selected wine parameters
PublicationThe purpose of this study was to evaluate the content of biogenic amines (BAs) in wines using dispersive liquid–liquid microextraction–gas chromatography–mass spectrometry (DLLME-GC–MS). An additional objective was to assess the correlations between selected parameters characterizing the samples such as the content of BAs, sugars, and organic acids, pH, and total acidity. Wines produced from the same grape variety in which alcoholic...
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Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
PublicationRuthenium(II) complexes are lately of great scientific interest due to their chemotherapeutic potential asanticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamidederivatives and their four arene–ruthenium complexes. The title compounds were characterized with theapplication of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for newcomplexes DFT calculations...
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The potential of LC–MS technique in direct analysis of perfume content
PublicationPerfumes are products that consist of a wide range of natural and synthetic compounds. Due to complex composition, the determination of their ingredients is a difficult task. Most of the perfume components are either volatile or semi-volatile; however, most of the attention has been paid to volatile ones, and thus, gas chromatography or electronic noses are generally used. Nevertheless, in this study, liquid chromatography coupled...
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Density, sound velocity, viscosity, and refractive index of new morpholinium ionic liquids with amino acid-based anions: Effect of temperature, alkyl chain length, and anion
PublicationIn this work, room temperature synthesis of twenty new ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 4, 6, 8) cation and N-acetyl-L-amino acid anions (L-alaninate, L-valinate, L-leucinate, L-isoleucinate) was described. The synthesized ILs were characterized by various spectroscopic techniques and high-resolution mass spectrometry. Furthermore, density (ρ), sound velocity (v), viscosity (η)...
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Presence of antibiotics in the aquatic environment in Europe and their analytical monitoring: Recent trends and perspectives
PublicationThe presence of antibiotics and their metabolites in the aquatic environment exerts a negative impact on all organisms. Moreover, the easy migration of these substances to drinking water may also have serious consequences for public health, such as drug resistance. Although antibiotics and their metabolites are detected in surface waters and wastewater, there are still no systemic solutions preventing environmental pollution with...
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UV-induced electron transfer between triethylamine and 5-bromo-2′-deoxyuridine. A puzzle concerning the photochemical debromination of labeled DNA
Publication5-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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Primary degradation of antidiabetic drugs
PublicationType 2 diabetes is a chronic disease affecting a large portion of the world population and is treated by orally administered drugs. Since these drugs are often taken in high doses and are excreted unchanged or partially metabolised many of them are nowadays detected in surface waters or wastewater treatment plants effluents. Unmetabolised antidiabetics or some of their transformation products retain their pharmacological activity,...
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In-tube extraction for the determination of the main volatile compounds in Physalis peruviana L
PublicationAn 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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Comparative Study on Assisted Solvent Extraction Techniques for the Extraction of Biologically Active Compounds from Sideritis raeseri and Sideritis scardica
PublicationThe plants in the Sideritis genus are postulated to exhibit several important medicinal properties due to their unique chemical composition. To isolate the targeted phytochemical compounds, the selection of a suitable extraction method is of primary importance. In this work, a comparative study on the phytochemical profiles of various Sideritis raeseri and Sideritis scardica extracts has been carried out. An untargeted metabolomics...
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Elucidation of transformation pathway of ketoprofen, ibuprofen, and furosemide in surface water and their occurrence in the aqueous environment using UHPLC-QTOF-MS
PublicationThe identification and determination of transformation products (TPs) of pharmaceuticals is essential nowadays, in order to track their fate in the aqueous environment and, thus, to estimate the actual pollution. However, this is a challenging task due to the necessity to apply high-resolution instruments enable to detect known and unknown compounds. This work presents the use of liquid chromatography quadrupole time-of-flight...
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Chemiluminogenic acridinium salts: A comparison study. Detection of intermediate entities appearing upon light generation
PublicationThe nine derivatives of acridine-9-carboxylic acid (CMADs) capable for chemiluminescence (CL), representing various classes of compounds were isolated in a chemically pure state (assessed by RP-HPLC) and identified using high resolution mass spectrometry (ESI-QTOF) and magnetic resonance (1H NMR) techniques. Among them are aryl acridinium esters, containing certainly selected and located substituents in both aromatic systems, an...
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Open Research DataAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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Production of essential oils from in vitro cultures of Caryopteris species and comparison of their concentrations with in vivo plants
PublicationThe chemical composition of hydrodistilled essential oils obtained from aerial parts and roots of selected Caryopteris (‘bluebeard’) species (C. incana, C. mongolica, Caryopteris 9 clandonensis), as well as the newly established in vitro shoot and adventitious root cultures of the above plants, was analyzed by gas chromatography– mass spectrometry. Essential oil content and composition differed significantly depending on the type...
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Paenibacillus alvei MP1 as a Producer of the Proteinaceous Compound with Activity against Important Human Pathogens, Including Staphylococcus aureus and Listeria monocytogenes
PublicationAn emerging need for new classes of antibiotics is, on the one hand, evident as antimicrobial resistance continues to rise. On the other hand, the awareness of the pros and cons of chemically synthesized compounds’ extensive use leads to a search for new metabolites in already known reservoirs. Previous research showed that Paenibacillus strain (P. alvei MP1) recovered from a buckwheat honey sample presented a wide spectrum of...
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Polychlorinated biphenyls (PCBs) and polychlorodibenzo-p-dioxins (PCDDs) determination in disposable baby diapers with the application of natural deep eutectic solvent
PublicationIn this work a new method involving solvent extraction of porous membrane-packed solid samples (SE-PMSS) coupled to gas chromatography-mass spectrometry (GC–MS) has been developed for the determination of six polychlorinated biphenyls (PCBs) and five polychlorodibenzo-p-dioxines (PCDDs) in disposable baby diapers. In that aim, a terpenoid-based natural deep eutectic solvent (NADES) composed of carvone and camphor in a 1:1 M ratio...
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Assessment of baby disposable diapers application for urine collection and determination of phthalate metabolites
PublicationThe baby disposable diapers were investigated as a sampling material for urine collection and validated for the evaluation of the exposure of children to xenobiotics. Phthalate metabolites detected in urine samples were chosen as proof-of-concept analytes. For the determination of phthalate metabolites in children’s urine samples, high performance liquid chromatography coupled with tandem mass spectrometry (HPLC-MS/MS) was used. Two...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublicationBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Chemical composition, antioxidant and anticancer effects of the seeds and leaves and indigo (polygonum tinctorium Ait.) Plant
PublicationSeeds and leaves of indigo (Polygonum tinctorium Ait.) plant were investigated and compared with another medicinal plant named prolipid for their properties such as chemical composition, antioxidant, and anticancer effects by Fourier transform infrared, three-dimensional fluorescence spectroscopy, and electrospray ionization-MS in negative mode. It was found that polyphenols, flavonoids, and flavanols were significantly higher...
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Thermal behaviour of vanadium xerogel powder under oxidizing atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the vanadium xerogel powder. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behaviour of vanadium xerogel powder under argon atmosphere
Open Research DataThe DataSet contains the results of the thermal behavior of the vanadium xerogel powder. The information about xerogel powder synthesis is described in the Journal of Nanomaterials.
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Thermal behavior of (NH4)V4O10xH2O
Open Research DataThe DataSet contains the results of the thermal behavior of the (NH4)V4O10xH2O obtained by the hydrothermal method using different precursors: microstructured (commercially available) or nanostructured. The information about samples synthesis is described in the Materials.
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Modeling by finite element methods of impact of erosion on frequency of normal modes of L-0 blade
PublicationAfter some time of exploitation steam turbine rotors blades in energetic industry they are being eroded and also their frequency of normal modes is changed. Those changes can cause to unwanted shift of blades normal mode frequencies. It is necessary to find quick method of rating changes of frequency in connection of mass loss due erosion. The evaluation of this dependence was made by finite element modeling method using HyperWorks...
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Cross sections for ionization and ionic fragmentation of pyrimidine molecules by electron collisions
PublicationThe electron impact mass spectroscopy and the total ion collection measurements were used to investigate the ionization and ionic fragmentation of the pyrimidine, C4H4N2, molecules in the gasphase. The cation mass spectra were measured in the 10−85 amu range and the observed mass peaks assigned to corresponding ionic fragments. The most abundant cation in the mass spectra is the parent cation, C4H4N+2, at 80 amu. The appearance...
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Evaluation of the photoprotective effect of β-cyclodextrin on the emission of volatile degradation products of ranitidine
PublicationThe process of the photo-excitation of ranitidine hydrochloride (RAN) in a solid state makes visible changes to its colour and generates an unpleasant odour. The purpose of the present study was to observe the protective effects of ˇ-cyclodextrin (CD) complexation as well as the effect of the mixture of two stoichiometries 1:1 and 1:2 (RAN:CD, IC) on the photostability of samples in a solid state. Samples of inclusion complexes...
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Capillary gas chromatography using a -cyclodextrin forenantiomeric separation of methylamphetamine, its precursors andchloro intermediates after optimization of the derivatization reaction
PublicationtThe enantiomeric ratio of methylamphetamine (MAMP) is closely related to the optical activity of precur-sors and reagents used for the synthesis and this knowledge can provide useful information concerningthe origins and synthetic methods used for illicit manufacture. The information can be utilized for reg-ulation of the precursors and investigation of the manufacturing sources but this requires analyticalprocedures to determine...
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Evaluation of the photoprotective effect of ˇ-cyclodextrin on the emission of volatile degradation products of ranitidine
PublicationThe process of the photo-excitation of ranitidine hydrochloride (RAN) in a solid state makes visible changes to its colour and generates an unpleasant odour. The purpose of the present study was to observe the protective effects of ˇ-cyclodextrin (CD) complexation as well as the effect of the mixture of two stoichiometries 1:1 and 1:2 (RAN:CD, IC) on the photostability of samples in a solid state. Sam- ples of inclusion complexes...
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GTR/Thermoplastics Blends: How Do Interfacial Interactions Govern Processing and Physico-Mechanical Properties?
PublicationIn this work, GTR/thermoplastics blends (in ratio 50/50 and 75/25 wt.%) were prepared by melt-compounding in an internal mixer. During research, trans-polyoctenamer rubber (TOR), ethylene-vinyl acetate copolymer (EVA), ethylene-octene copolymer (EOC), and linear low-density polyethylene (LLDPE), were used in their thermoplastic phase. Microstructure and processing-performance property interrelationships of the studied materials...
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sp2-rich dendrite-like carbon nanowalls as effective electrode for environmental monitoring of explosive nitroaromatic
PublicationNitroaromatic compounds are commonly used explosive materials that pose a risk to human health and ecosystems due to their acute toxicity and carcinogenicity. Nitroaromatics have numerous pathways into the environment via discarded munitions (e.g. into the Baltic Sea after World War II), after use in mining operations, and in industrial run-off from factories producing these compounds (which are produced across the world to date)....
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A Closed Bipolar Electrochemical Cell for the Interrogation of BDD Single Particles: Electrochemical Advanced Oxidation
PublicationA closed bipolar electrochemical cell containing two conductive boron-doped diamond (BDD) particles of size 250 – 350 m, produced by high-pressure high-temperature (HPHT) synthesis, has been used to demonstrate the applicability of single BDD particles for electrochemical oxidative degradation of the dye, methylene blue (MB). The cell is fabricated using stereolithography 3D printing and the BDD particles are located at either...
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Comparative Analysis of Phytochemical Profiles and Selected Biological Activities of Various Morphological Parts of Ligustrum vulgare
PublicationLigustrum vulgare (LV), widely cultivated in Europe and often used in hedges, has been histori-cally recognized in folk medicine for its potential health benefits. This study focused on exploring the untargeted identification of secondary metabolites in ethanol extracts (70% v/v) from differ-ent morphological parts (young shoots, leaves, flowers and fruits) of LV at various stages of plant development, using ultra-high-performance...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublicationCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Simultaneous opto-electrochemical monitoring of carbamazepine and its electro-oxidation by-products in wastewater
PublicationThe growing human impact on aquatic environments, due to the extensive use of pharmaceuticals and the release of persistent pollutants, makes it necessary to implement new widespread methods for the characterisation and quantification of such contaminants and relative degradation products. Carbamazepine, 5H-dibenzo[b,f]azepine-5-carboxamide, (CBZ) is a widely used anti-epileptic drug, characterised by its limited removal by conventional...
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Comparative Lipidomic Study of Human Milk from Different Lactation Stages and Milk Formulas
PublicationIn this report, we present a detailed comparison of the lipid composition of human milk (HM) and formula milk (FM) targeting different lactation stages and infant age range. We studied HM samples collected from 26 Polish mothers from colostrum to 19 months of lactation, along with FM from seven brands available on the Polish market (infant formula, follow-on formula and growing-up formula). Lipid extracts were analysed using liquid...
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Bias-Dependent Dynamics of Degradation and Recovery in Perovskite Solar Cells
PublicationDegradation of perovskite solar cells (PSCs) is often found to be partially or fully reversible when the cells are allowed to recover in the dark. Unlike the dynamics of degradation, knowledge about the dynamics of PSC cell recovery is very limited. Here, we demonstrate that the PSC recovery strongly depends on the electrical bias conditions during the light-induced degradation and that it can be manipulated by applying an external...
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Human serum interactions with phenolic and aroma substances of Kaffir(Citrus hystrix) and Key lime (Citrus aurantifolia) juices
PublicationTo understand the therapeutic application of polyphenols extracted from Kaffir (PolKaf) and Key (PolKey) limesdifferent analytical methods were applied. Based on quantitative analysis by two dimensional gas chromato-graphy (GC×GC) and time of flight mass spectrometry (TOFMS) it can be observed that the biggest differencesin the contents of selected terpenes of Kaffir and Key limes occur in chemical compounds such as limonene, citraland...
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Authenticity Assessment of the "Onisiówka" Nalewka Liqueurs Using Two-Dimensional Gas Chromatography and Sensory Evaluation
PublicationThe “Onisiówka” nalewka liqueur is a regional Polish alcoholic beverage, which is inscribed on the list of regional and traditional products of the Ministry of Agriculture and Rural Development in Poland. It is produced from multiflower honey, black elderberry flower syrup, and spirit. Due to fact that the “Onisiówka” nalewka liqueur has never been investigated, these studies are the foundation for further work on this regional...
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A multi-analytical approach to the characterization of natural organic dyestuffs and inorganic substrates present in the 19th-century artistic oil paints manufactured by a French art materials supplier Richard Aines
PublicationThis paper presents a comprehensive analysis of artistic paints produced in the 19th century by a French art materials supplier Richard Ain`es. Improved mild extraction with hydrofluoric acid enabled the observation of intact organic dyes. Reversed-phase liquid chromatography with diode-array and mass spectrometry detection was utilised for the identification of 35 dyes present in yellow and red paint samples, and in selected plant...
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Identification of novel psychoactive substances 25B-NBOMe and 4-CMC in biological material using HPLC-Q-TOF-MS and their quantification in blood using UPLC–MS/MS in case of severe intoxications
PublicationThis paper describes cases of poisoning caused by new psychoactive substances such as: 25BNBOMe (2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine) and 4-CMC (1-(4-chlorophenyl)-2-(methylamino)-1-propanone). The analytical procedure includes rapid and selective method for the extraction and determination of 4-CMC and 25B-NBOMe in blood samples using UPLC–MS/MS technique. To the best of our knowledge,this is...
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Distinction of clenbuterol intake from drug or contaminated food of animal origin in a controlled administration trial – the potential of enantiomeric separation for doping control analysis
PublicationThe differentiation of clenbuterol abuse and unintentional ingestion by contaminated meat is crucial with respect to the valuation of an adverse analytical finding in human sports doping control. The proportion of the two enantiomers of clenbuterol may serve as potential discriminating parameter. For the determination of the individual enantiomers, specific methods were developed and validated for the different matrices under investigation...
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Effect of Thermal Treatment and Erosion Aggressiveness on Resistance of S235JR Steel to Cavitation and Slurry
PublicationS235JR steel is used in many applications, but its resistance to the erosion processes has been poorly studied. To investigate this resistance, cavitation, and slurry erosion tests were conducted. These tests were carried out at different erosion intensities, i.e., different flow rates in the cavitation tunnel with a system of barricades and different rotational speeds in the slurry pot. The steel was tested as-received and after...
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Thermal behaviour of NH4VO3 microcasketoids
Open Research DataThe DataSet contains the results of the thermal behavior of the ammonium metavanadate microcasketoids 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 studied with mass spectrum...
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Thermal behaviour of NH4VO3 nanoflowers
Open Research DataThe DataSet contains the results of the thermal behavior of the ammonium metavanadate nanoflowers 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 studied with mass spectrum...
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Thermal behaviour of NH4VO3 elongated microcrystals
Open Research DataThe DataSet contains the results of the thermal behavior of the ammonium metavanadate elongated microcrystals 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 studied with mass...
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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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Thermal behaviour of NH4VO3 microflowers
Open Research DataThe DataSet contains the results of the thermal behavior of the ammonium metavanadate microflowers 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 studied with mass spectrum...
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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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Removal of organic matter and nitrogen in an horizontalsubsurface flow (HSSF) constructed wetland undertransient loads
PublicationA monitoring campaign in a horizontal subsurface flow constructed wetland under the influence of transient loads of flow-rate, organic matter, nitrogen and suspended solids showed an irregular removal of COD and TSS and lower both removal efficiencies and mass removal rates than the ones observed in other studies for similar operating conditions. This circumstance is associated to the presence of large amount of particulate organic...
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Marine autonomous surface ship - control system configuration
PublicationThis paper addresses the problem of marine autonomous surface ship (MASS) control. The contribution of the paper is the development of a control system configuration, done assuming fully autonomous MASS operation under distinct operational conditions. The overview of hardware and software selection is included.