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Search results for: ION MOBILITY SPECTROMETRY
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Screen-printed Sn-doped TiO2 nanoparticles for photocatalytic dye removal from wastewater: A technological perspective
PublicationTiO2 is widely used as a photocatalyst with a wide band gap, which limited its application. Ion doping and formulating a high-quality screen-printing paste enhance its features. However, the printability of objects for advanced application seems essential nowadays. In this research, the Sn-doped TiO2 nanoparticles were prepared through a sol-gel method followed by calcination at various temperatures of 450 °C, 550 °C, 650 °C, 750...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublicationInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Investigation of the Antifungal Activity and Mode of Action of Thymus vulgaris, Citrus limonum, Pelargonium graveolens, Cinnamomum cassia, Ocimum basilicum, and Eugenia caryophyllus Essential Oils
PublicationThe antimicrobial activity of plant oils and extracts has been recognized for many years. In this study the activity of Thymus vulgaris, Citrus limonum, Pelargonium graveolens, Cinnamomum cassia, Ocimumbasilicum, and Eugenia caryophyllus essential oils (EOs) distributed by Pollena Aroma (Nowy Dwór Mazowiecki, Poland) was investigated against a group of 183 clinical isolates of C. albicans and 76 isolates of C. glabrata. All of...
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Microbial and chemical quality assessment of the small rivers entering the South Baltic. Part II: Case study on the watercourses in the Puck Bay catchment area
PublicationDue to its location, Puck Bay is an area particularly vulnerable to pollution of anthropogenic origin. The aim of the study was to assess the water quality of small watercourses entering the inner part of Puck Bay. The paper presents the results of chemical and microbiological analyses of 10 rivers and canals at their estuaries located on the western shore of the internal Puck Bay. The following environmental parameters were analyzed:...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Characterization of exceptionally thermostable single-stranded DNA-binding proteins from Thermotoga maritima and Thermotoga neapolitana
PublicationBACKGROUND: In recent years, there has been an increasing interest in SSBs because they find numerous applications in diverse molecular biology and analytical methods.RESULTS: We report the characterization of single-stranded DNA binding proteins (SSBs) from the thermophilic bacteria Thermotoga maritima (TmaSSB) and Thermotoga neapolitana (TneSSB). They are the smallest known bacterial SSB proteins, consisting of 141 and 142 amino...
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Informal Settlements and International Migrants: The city of Rome (Italy) as Case Study
PublicationToday, urbanization is happening at an unprecedentedly rapid rate, owing heavily to the influx of migrants. Empirical evidence shows the development of informal settlements in cities as a result of migration, including Rome. Furthermore, information on informal settlements is either insufficient or inadequate, which makes it challenging for architects, urban planners, and policymakers to form viable solutions to deal with the situations...
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Influence of the Tool Rotational Speed on Physical and Chemical Properties of Dissimilar Friction-Stir-Welded AA5083/AA6060 Joints
PublicationAluminum alloys have been successfully used in the railroad and automotive industries because of their potential to significantly reduce component weights, and their good mechanical and anti-corrosion properties. Problems with joining aluminum alloys are characterized by low weldability, which influences the need for studies focused on unconventional methods. The environmentally friendly and low-cost friction-stir-welding method...
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Potential for ITS/ICT Solutions in Urban Freight Management
PublicationThe article presents a study on applying ITS solutions in planning and management of urban freight transport in Gdynia. The traffic management system Tristar which is under implementation and its related systems show a potential to assist in development of freight transport measures. Recommendations for urban freight policy development supplementing Gdynia's Sustainable Urban Mobility Plan were used as a basis for identification...
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Processing and structure–property relationships of natural rubber/wheat bran biocomposites
PublicationIn this work, wheat bran was used as cellulosic filler in biocomposites based on natural rubber. The impact of wheat bran content [ranging from 10 to 50 parts per hundred rubber (phr)] on processing, structure, dynamic mechanical properties, thermal properties, physico-mechanical properties and morphology of resulting biocomposites was investigated. For better characterization of interfacial interactions between natural rubber...
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COVID-19 and digital deprivation in Poland
PublicationResearch background: The problem of digital deprivation is already known, but the COVID-19 pandemic has highlighted its negative consequences. A global change in the way of life, work and socialisation resulting from the epidemic has indicated that a basic level of digital integration is becoming necessary. During the lockdown, people were forced to use ICTs to adapt to a rapidly changing reality. Current experience with coronavirus...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublicationNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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A Study on Emission of Airborne Wear Particles from Car Brake Friction Pairs
PublicationThe emission of airborne wear particles from friction material / cast iron pairs used in car brakes was investigated, paying special attention to the influence of temperature. Five low-metallic materials and one non-asbestos organic material were tested using a pin-on-disc machine. The machine was placed in a sealed chamber to allow airborne particle collection. The concentration and size distribution of 0.0056 to 10 μm particles...
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Silica-Based Ionogels: Nanoconfined Ionic Liquid-Rich Fibers for Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Barrier Discharge Ionization Detection
PublicationIn this work, hybrid silica-based materials with immobilized ionic liquids (ILs) were prepared by sol–gel technology and evaluated as solid-phase microextraction (SPME) fiber coatings. High loadings of the IL 1-methyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide ([C4MIM][TFSI]) were confined within the hybrid network. Coatings composition and morphology were evaluated using scanning electron microscopy and energy dispersive...
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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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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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The Impact of Different Drying Methods on the Metabolomic and Lipidomic Profiles of Arthrospira platensis
PublicationDrying is an inseparable part of industrial microalgae production. In this work, the impacts of eight different drying methods on the metabolome and lipidome of Arthrospira platensis were investigated. The studied drying methods were freeze drying (FD), sun drying (SD), air drying at 40 and 75 °C (AD′ and AD″), infrared drying at 40 and 75 °C (IRD′ and IRD″), and vacuum drying at 40 and 75 °C (VD′ and VD″). Results gathered by...
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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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Various types of semiconductor photocatalysts modified by CdTe QDs and Pt NPs for toluene photooxidation in the gas phase under visible light
PublicationA novel synthesis process was used to prepare TiO2 microspheres, TiO2 P-25, SrTiO3 and KTaO3 decorated by CdTe QDs and/or Pt NPs. The effect of semiconductor matrix, presence of CdTe QDs and/or Pt NPs on the semiconductor surface as well as deposition technique of Pt NPs (photodeposition or radiolysis) on the photocatalytic activity were investigated. The as-prepared samples were characterized by X-ray powder diffractometry (XRD),...
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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublicationThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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Curing epoxy with electrochemically synthesized Zn Fe3-O4 magnetic nanoparticles
PublicationCathodic electrodeposition (CED) was applied in synthesis of undoped and zinc (Zn) doped Fe3O4 nanoparticles. Changes in the lattice structure of nanoparticles were monitored using X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM) supported by dispersive X-ray spectrometry (EDS), and vibrating sample magnetometry (VSM). Detailed analyses explored the formation of ZnxFe3–xO4 nanoparticles with x ≈ 0.1,...
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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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Monitoring Lead Concentration in the Surrounding Environmental Components of a Lead Battery Company: Plants, Air and Effluents—Case Study, Kenya
PublicationLead (Pb) pollution from smelters and lead–acid battery has become a serious problem worldwide owing to its toxic nature as a heavy metal. Stricter regulations and monitoring strategies have been formulated, legislated and implemented in various parts of the world on heavy metal usage. Developed countries such as the USA and in Europe largely operate within the set standards, however, developing countries such as Kenya, Nigeria...
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The Interaction of Heptakis (2,6-di-O-Methyl)-β-Cyclodextrin with Mianserin Hydrochloride and Its Influence on the Drug Toxicity
PublicationOne tetracyclic antidepressant, mianserin hydrochloride (MIA), has quite significant side effects on a patients’ health. Cyclodextrins, which are most commonly used to reduce the undesirable features of contained drugs within their hydrophobic interior, also have the potential to alter the toxic behavior of the drug. The present paper contains investigations and the characteristics of interaction mechanisms for MIA and the heptakis...
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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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Preparation and structure of nanocrystalline sol-gel derived Cu doped LiTi2O4 powders
PublicationAmong the spinel oxides materials, lithium titanate (Li1+xTi2-xO4 where 0 ≤ x ≤ 0.33) could be very interested from pratical applications point of view. Lithium titanate is a II type spinel oxide superconductor with relatively high (~13 K for x = 0) superconducting transition temperature Tc. Above Tc lithium titanate shows metallic behaviour and can be used e.g. as electrodes for rechargeable lithium-ion batteries. Since the discovery...
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Scattering of electrons by a 1,2-butadiene (C4H6) molecule: measurements and calculations
PublicationWe present the results of experimental and theoretical study on electron collisions with a 1,2-butadiene (H2C=C=CHCH3) molecule. Absolute grand-total cross sections (TCSs) were measured using a linear electron-transmission method for collision energies in the 0.5–300 eV range. Two distinct features in the TCS energy curve were detected: a narrow peak located at 2.3 eV and a broad enhancement centered around 9 eV. We attributed...
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Imidazole-Based Lithium Salt LiHDI as a Solid Electrolyte Interphase-Stabilising Additive for Lithium-Conducting Electrolytes
PublicationLithium salt LiHDI (lithium 4,5-dicyano-2-(n-heptafluoropropyl)imidazolide) is proposed as a solid electrolyte interphase-stabilising additive for lithium-ion batteries, which can be added in a smaller amount than fluoroethylene carbonate (FEC) and vinylene carbonate (VC) additives. Electrolytes containing either lithium 4,5-dicyano-2-(trifluoromethyl)imidazolide (LiTDI) or battery-standard LiPF6 were tested with various amounts...
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Battery Technologies in Electric Vehicles: Improvements in Electric Battery Packs
PublicationRestrictions on fossil fuels and related environmental pollution issues motivate many organizations and countries to set their focus on electric vehicles (EVs) rather than conventional internal combustion engine vehicles [1], [2]. EVs require an energy storage system to store converted electric power in another form of energy and then reconvert the stored energy to electric power whenever it is required. The energy stored can be...
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Innovative Implantable Left Ventricular Assist Device—Performance under Various Resistances and Operating Frequency Conditions
PublicationThis paper presents the operation of an innovative left ventricular assist device under various resistances and operating frequencies. The operating principle of the device is based on pulsatile blood flow, which is forced by a suction–discharge device pumping helium into a set of intra-cardiac balloons. In this way, the ejection fraction of the left ventricle is increased, and the mitral valve is additionally occluded. What is...
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SEI Growth and Depth Profiling on ZFO Electrodes by Soft X-Ray Absorption Spectroscopy
PublicationZnFe2O4 (ZFO) Li-ion batteries (LIBs) represent a reliable, affordable, and safe energy storage technology for use in portable application. However, current LIB active materials (graphite, lithium/transition metal spinel or layered oxides, olivine structures) can store only limited energy since they rely on insertion storage based on solid-state host-guest interactions. Moreover, performances and durability of the cells are strongly...
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Polygons vs. clumps of discs: A numerical study of the influence of grain shape on the mechanical behaviour of granular materials
PublicationWe performed a series of numerical vertical compression tests on assemblies 01 20 granular material using a Discrete Element code and studied the results with regard to the grain shape. The samples consist of 5000 grains made from either 3 overlapping discs (clumps - grains with concavities) or six-edged polygons (convex grains). These two grain type have similar external envelope, which is a fund ion of a geometrical parameter...
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Dissolved and colloidal organic nitrogen removal from WWTP effluents and reject waters using physical-chemical processes
PublicationFour physical-chemical processes were compared in terms of the efficiencies of dissolved and colloidal organic nitrogen (DON and CON) removal from the secondary effluents (SE) and reject water from full-scale biological nutrient removal activated sludge systems. Adsorption on activated carbon was most efficient and allowed to remove from the SE up to 80% and 100% of DON and CON, respectively. High efficiencies of DON removal from...
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Sample preparation procedure using extraction and derivatization of carboxylic acids from aqueous samples by means of deep eutectic solvents for gas chromatographic-mass spectrometric analysis
PublicationThe paper presents a new procedure for the determination of organic acids in a complex aqueous matrixusing ultrasound-assisted dispersive liquid–liquid microextraction followed by injection port derivati-zation and GC–MS analysis. A deep eutectic solvent (choline chloride: 4-methylphenol in a 1:2 mol ratio)was used both as an extracting solvent and as a derivatizing agent to yield ion pairs which were next con-verted to methyl...
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The Use of Organic Coagulants in the Primary Precipitation Process at Wastewater Treatment Plants
PublicationMeasurements for determining the effect of chemically enhanced primary treatment (CEPT) on the efficiency of pollutant removal from wastewater were carried out using conventional inorganic coagulants PIX113 with polymer A110 (Kemipol, Police, Poland) and unconventional cationic organic coagulants Cofloc (Attana, Coalville, UK) C29510 (Kemipol, Police, Poland) and Sedifloc 575 (3F Chimica, Sandrigo, Italy). The average removal efficiency...
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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PARAMETERS OF THE ELECTROPHORETIC DEPOSITION PROCESS AND ITS INFLUENCE ON THE MORPHOLOGY OF HYDROXYAPATITE COATINGS. REVIEW
PublicationMetallic materials intended for bone implants should exhibit not only appropriate mechanical properties, but also high biocompatibility. The surface treatment modifications, for example acidic treatment, laser treatment, ion implantation and deposition of highly biocompatible coatings, are practiced. One of the most popular methods of surface modification is to deposit hydroxyapatite (HAp) coatings. HAp naturally occurs in human...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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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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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublicationDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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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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Analysis of metals in air particles from Gdańsk and London with EDX/EDS detectors in electron microscope
PublicationElectron microscopy with energy dispersive X-ray spectrometry (EDX/EDS) is the example of non-destructive analytical method for surface elemental analysis, with a potential detection limit of 0.1-0.5 wt.% for most elements. A spatial resolution <10 nm can be achieved using this technique, which provides a basis for the generation of quantitative and qualitative elemental data for individual particles. In order to obtain quantitative...
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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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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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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublicationFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...