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Search results for: chemia%20kwantowa
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Rzeczywistość rozszerzona – potencjał w kształceniu (przyszłych) pomorskich inżynierów
PublicationEdukacja młodzieży w zakresie nauk eksperymentalnych – takich jak chemia i fizyka – stanowi obecnie w obliczu ograniczeń zaplecza dydaktycznego w szkołach ogromne wyzwanie. Placówki edukacyjne nie posiadają często odpowiednich laboratoriów, lecz dysponują pracowniami komputerowymi. W ramach Projektu EDUAR, współfinansowanego przez NCBiR, przeprowadzono badania w 20 szkołach – po 10 z obszarów wiejskich i miejskich, podczas których...
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Ciecze jonowe w technikach mikroekstrakcyjnych. Cz. II. Praktyka analityczna.
PublicationRosnące od lat zainteresowanie cieczami jonowymi, wynikające z ich unikalnych właściwości fizykochemicznych, znalazło odzwierciedlenie w ich wykorzystaniu jako rozpuszczalników w chemii analitycznej, w tym szczególnie w wielu technikach przygotowania próbek do analizy. Ciecze jonowe zastosowano jako materiał sorpcyjny w takich technikach jak: mikroekstrakcja do fazy stacjonarnej SPME; mikroekstrakcja do pojedynczej kropli, SDME...
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Some advances in environmental analytics and monitoring
PublicationW pracy przedstawiono wkład Katedry Chemii Analitycznej w rozwój analityki środowiskowej i monitoringu, ze szczególnym uwzględnieniem analityki pozostałości leków w próbkach wodnych ( w układzie on-line i off-line), badań nad identyfikacją produktów degradacji organicznych zanieczyszczeń, analizy toksyn w wodach za pomocą techniki HPLC-DAD-MS, wykorzystania dozymetrii pasywnej do izolacji analitów z wody oraz jednoczesnego oznaczania...
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Otrzymywanie oraz zbadanie właściwości tri-tert-butoksysilanotiolanów i tri-tert-butoksysilanolanów chromu(II) i chromu(III)"
PublicationW badaniach nad chemią związków wywodzących się z kwasu ortokrzemowego niezwykle użyteczne okazały się ligandy tri-tert-butoksysilanotiolanowe - SSi(OtBu)3 oraz tri-tert-butoksysilanolanowe - OSi(OtBu)3. Nadrzędnym celem pracy było otrzymanie tri-tert-butoksysilanotiolanowych i tri-tert-butoksysilanolanowych kompleksów chromu i określenie ich struktury za pomocą rentgenowskiej analizy strukturalnej. W wyniku przeprowadzonych badań...
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Multiple Cues-Based Robust Visual Object Tracking Method
PublicationVisual object tracking is still considered a challenging task in computer vision research society. The object of interest undergoes significant appearance changes because of illumination variation, deformation, motion blur, background clutter, and occlusion. Kernelized correlation filter- (KCF) based tracking schemes have shown good performance in recent years. The accuracy and robustness of these trackers can be further enhanced...
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Jakość wód Potoku Oliwskiego i rzeki Redy oraz ich wpływ na przybrzeżne kąpieliska w aspekcie nowych przepisów prawnych.
PublicationCharakterystyka rejonów Potoku Oliwskiego i rzeki Reda. Potencjalne źródła zanieczyszczeń badanych obszarów. Aspekty prawne dotyczące oceny jakości wód powierzchniowych i wody w morskich kąpieliskach przybrzeżnych. Badania fizykochemiczne i zanieczyszczenia mikrobiologiczne analizowanych cieków oraz ich wpływ na wody przybrzeżne.
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Poly(ε-Caprolactone)/Brewers’ Spent Grain Composites—The Impact of Filler Treatment on the Mechanical Performance
PublicationWaste lignocellulose materials, such as brewers’ spent grain, can be considered very promising sources of fillers for the manufacturing of natural fiber composites. Nevertheless, due to the chemical structure differences between polymer matrices and brewers’ spent grain, filler treatment should be included. The presented work aimed to investigate the impact of fillers’ reactive extrusion on the chemical structure and the poly(ε-caprolactone)/brewers’...
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Complex Corrosion Monitoring System for Crude Distillation Unit in Form of Neutral Network
PublicationComplex and successful corrosion monitoring of refinery processes can significantly reduce material losses and failure risk. The developed corrosion monitoring system is based on online ultrasonic sensors, ER (electrical resistance) probes, gravimetric method and multipoint analytical analysis of chemical composition of the fluids. Additional online LPR (linear polarization resistance) sensors controlling corrosiveness of sour...
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Preparation and Characterization of Diamond-like Carbon Coatings for Biomedical Applications—A Review
PublicationDiamond-like carbon (DLC) films are generally used in biomedical applications, mainly because of their tribological and chemical properties that prevent the release of substrate ions, extend the life cycle of the material, and promote cell growth. The unique properties of the coating depend on the ratio of the sp3/sp2 phases, where the sp2 phase provides coatings with a low coefficient of friction and good electrical conductivity,...
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INVESTIGATION OF JOURNAL SLIDE BEARINGS UNDER THE ANGLE OF THEIR FUNCTIONING
PublicationPaper presents the structure and principle of operation of a stand for measurements of influence of the lubrication method and process on functioning of journal slide bearings in their various technical states. Measurements performed on the stand make it possible to take advantage of the new method of evaluating the influence of physical and chemical properties of lubricating oil on the coefficient of friction in the mixed friction...
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Comprehensive two dimensional gas chromatography coupled with mass spectrometry as tool for characterization of the main pollutants present in atmospheric air in Gdansk
PublicationNowadays, the technique that is commonly used to identify and quantify the chemical compounds in gas sample is gas chromatography. The separation resolution in gas chromatography can be improved by applying the modulation technique. In this paper present is the most important information regarding the pollutants present in atmospheric air. The areas in which the tests were carried out are one of the largest industrial zones in...
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Saccharides
PublicationSaccharides are widely distributed in nature as the major component of fruits and vegetables (primarily monosaccharides), milk and malt (mainly disaccharides), and grains (mostly polysaccharides). They are an important source of energy, structural material, as well as flavor and taste factors. Molecules of this class of compounds contain mainly carbon, hydrogen, and oxygen atoms; however, most natural saccha- rides do not have...
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SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF NIOBIUM-DOPED HYDROXYAPATITE CERAMICS
PublicationHydroxyapatite (HAp) ceramic materials are considered as one of the most promising implant materials in bone surgery and in dentistry. They exhibit unique biocompatibility, bioactivity, and osteoconductivity, which are the most desirable biomaterial features. However, HAp itself is brittle, has low strength, high degree of crystallinity and low solubility at physiological pH. Doping synthetic HAp with metal ions plays an important...
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Opracowanie nowej procedury oznaczania wybranych zanieczyszczeń organicz- nych w próbkach gleb i osadów dennych.**2002, 201 s. 63 rys. 57 tab. bib- liogr. 128 poz. maszyn. Rozprawa doktorska / 21.10.2002/, Wydz. Chem. PG Promotor: prof. dr hab. inż. J. Namieśnik.
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Projektowanie, synteza i właściwości tetracyklicznych analogów antrachinonui akrydyny w aspekcie zjawiska oporności wielolekowej komórek nowotworo- wych.**2003, 139 s. 23 rys. 26 tab. bibliogr. 137 poz. maszyn. Rozprawa doktorska /23.04.2003/ Wydz. Chem. PG Promotor: prof. dr inż. E. Borowski.
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Scoring ofsolventsusedinanalyticallaboratoriesbytheirtoxicological and exposurehazards
PublicationGreen analyticalchemistry,althoughawellrecognisedconcept,stilllacksreliableenvironmentalimpact assessment procedures.Thisarticledescribesscoringofsolvents,frequentlyusedinanalyticallabora- tories, withCHEMS-1model.Themodelusestoxicologicalandexposuredatatocalculatehazardvalues relatedtotheutilisationofsolvents. The originalmodelwasmodified toincorporatehazardsrelatedtothevolatilityofchemicals.The scoring ofhazardvaluesshowedthatpolarsolventsarelesshazardous.Thescoringresultswereapplied to...
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Mechanical characteristics of welded joints between different stainless steels grades
Publicationnvestigation of mechanical characteristics of welded joints is one of the most important tasks that allow determining their functional properties. Due to the very high, still rising, cost of some stainless steels it is justified, on economic grounds, welding austenitic stainless steel with steels that are corrosion-resistant like duplex ones. According to forecasts the price of...
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Synthesis, structure and properties of poly(ether-urethane)s synthesized using a tri-functional oxypropylated glycerol as a polyol
PublicationThe main aim of this work was to obtain poly(ether-urethane)s using tri-functional polyoxyalkylene polyol (Rokopol G1000), which introducing the chemical cross-links into the structure of polyurethanes. Poly(ether-urethane)s were prepared using two-step method, called prepolymer method, which involves in the first step the reaction of 4,4'-diphenylmethane diisocyanate (MDI) and tri-functional polypropylene glycol glycerol triether...
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Diamine derivatives of dimerized fatty acids and bio-based polyether polyol as sustainable platforms for the synthesis of non-isocyanate polyurethanes
PublicationA series of environmentally friendly non-isocyanate polyurethanes (NIPUs) were successfully prepared via the polyaddition reaction of bio-based polyether polyol-based cyclic carbonate with diamine derivative of dimerized fatty acids. The syntheses of NIPUs were realized by the three-step method in the absence of toxic solvents and, importantly, the process of carbonation did not require the use of elevated pressure. The effect...
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The comparison of antioxidant properties and nutrigenomic redox-related activities of vitamin C, C-vitamers, and other common ascorbic acid derivatives
PublicationThe term ‘vitamin C’ describes a group of compounds with antiscorbutic activity of L-ascorbic acid (AA). Despite AA’s omnipresence in plant-derived foods, its derivatives have also been successfully implemented in the food industry as antioxidants, including the D-isomers, which lack vitamin C activity. This study aimed to determine the relationship between redox-related activities for five derivatives of AA using electrochemical,...
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Chromatograf gazowy do celów dydaktycznych i jego zastosowania
PublicationW artykule opisano zastosowania dydaktyczne prostego chromatografu gazowego, specjalnie opracowanego i zbudowanego do tych celów. Pozwala on na zapoznanie studentów chemii analitycznej z podstawowymi koncepcjami chromatografii a równocześnie prowadzenie ćwiczeń z elementami zaawansowanej metrologii chemicznej. W artykule przedstawiono zasady, jakimi kierowano się przy projektowaniu i budowie aparatu, a także ćwiczenie z bardziej...
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Wiązanie się do DNA oraz jego międzyłańcuchowe sieciowanie DNA przez tria-zoloakrydony i aktynomycynę D.**2003, 125 s. 35 rys. 10 tab. bibliogr. 202 poz. maszyn. Rozprawa doktorska /03.07.2003/ P. Gdań. Wydz. Chem. Promotor: prof. dr hab. inż. J. Konopa.
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Haemocompatibility of Modified Nanodiamonds
PublicationThis study reports the interactions of modified nanodiamond particles in vitro with human blood. Modifications performed on the nanodiamond particles include oxygenation with a chemical method and hydrogenation upon chemical vapor deposition (CVD) plasma treatment. Such nanodiamonds were later incubated in whole human blood for different time intervals, ranging from 5 min to 5 h. The morphology of red blood cells was assessed along...
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Reguły efektywnego projektowania semantycznych usług WWW
PublicationW pracy omówiono kluczowe zasady projektowania usług semantycznych w Internecie. Nawiązano do reguł formalizacji wiedzy za pomocą systemów ontologicznych, dla których implementacji opracowano języki programowania OWL i KIF. Odniesiono się także do sieci semantycznych jako metody sztucznej inteligencji w kontekście założeń projektu Web 3.0. Omówiono zasady stosowania języków XML, XML Schema, RDF, RDF Schema, OWL, SPARQL, a także...
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Susceptibility to Degradation in Soil of Branched Polyesterurethane Blends with Polylactide and Starch
PublicationA very important method of reducing the amount of polymer waste in the environment is the introduction to the market of polymers susceptible to degradation under the influence of environmental factors. This paper presents the results of testing the susceptibility to degradation in soil of branched polyesterurethane (PUR) based on poly([R,S]-3-hydroxybutyrate) (R,S-PHB), modified with poly([D,L]-lactide) (PLA) and starch (St). Weight...
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Study on the Structure-Property Dependences of Rigid PUR-PIR Foams Obtained from Marine Biomass-Based Biopolyol
PublicationThe paper describes the preparation and characterization of rigid polyurethane-polyisocyanurate (PUR-PIR) foams obtained with biopolyol synthesized in the process of liquefaction of biomass from the Baltic Sea. The obtained foams differed in the content of biopolyol in polyol mixture (0–30 wt%) and the isocyanate index (IISO = 200, 250, and 300). The prepared foams were characterized in terms of processing parameters (processing...
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Investigation of antifungal and antibacterial potential of green extracts of propolis
PublicationPropolis extracts have been used in traditional medicines since ages due to its advantageous complex chemical composition. However, the antibacterial and antifungal activity of poplar propolis extracts prepared in Natural Deep Eutectic Solvent (NADES) are seldom studied. This study investigates suitable alternate for ethanol as a solvent for extraction for Polish poplar propolis. It also attempts to identify suitable extraction...
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublicationNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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Wstęp do elektroniki molekularnej
PublicationZastosowanie pojedynczych molekuł lub układów molekularnych do budowy elementów elektronicznych jest poważnym wyzwaniem dla inżynierów i naukowców, w chwili obecnej i w najbliższej przyszłości. celem tego skryptu jest przybliżenie czytelnikowi podstawowych zagadnień dotyczących elektroniki molekularnej, opartej zarówno na układach zbudowanych z wielu molekuł, jak i jednej molekuły. Jest ona przeznaczona dla studentów i pracowników...
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Palladium versus Platinum: The Metal in the Catalytic Center of a Molecular Photocatalyst Determines the Mechanism of the Hydrogen Production with Visible Light
PublicationTo develop highly efficient molecular photocatalysts for visible light-driven hydrogen production, a thorough understanding of the photophysical and chemical processes in the photocatalyst is of vital importance. In this context, in situ X-ray absorption spectroscopic (XAS) investigations show that the nature of the catalytically active metal center in a (N^N)MCl2 (M=Pd or Pt) coordination sphere has a significant impact on the...
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Green Chemistry Metrics with Special Reference to Green Analytical Chemistry
PublicationThe concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor,...
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Application of Electronic Nose to Ambient Air Quality Evaluation With Respect to Odour Nuisance in Vicinity of Municipal Landfills and Sewage Treatment
PublicationThis chapter contains information about application of the electronic nose type instruments to evaluation of ambient air odour quality connected with such sectors of human activity as municipal landfills or sewage treatment plants. The authors present potential sources of emission from these sectors, characterize the chemical compounds responsible for presence of unpleasant odours, describe the influence of those compounds on human...
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Physical and Thermophysical Properties of 1-Hexyl-1,4-diaza[2.2.2]bicyclooctanium Bis(trifluoromethylsulfonyl)imide Ionic Liquid
PublicationOwing to their unique properties, ionic liquids (ILs) have become a real alternative to organic compounds. Nowadays, ILs are commonly used in a number of areas such as chemical synthesis and separation techniques. However, ionic liquids continue to have a limited applicability in industry because the information on their physical and chemical properties is not readily available. This paper presents, for the first time, the results...
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Release and Transport of Toxic, Mobile Organic Compounds (Formaldehyde and Phenols) on an Arctic Glacier
PublicationAs a result of current deglaciation, the chemical cycles of many compounds, including toxic formaldehyde and phenols, are changing. However, the processes by which these chemicals are released have yet to be studied in situ. Here, we quantify fluxes of HCHO and phenols in a glacial catchment within one summer season, obtaining a net release from the glacier of 0.106 · 106 g formaldehyde and 0.255 · 106 g phenols, which can be interpreted...
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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublicationThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Chestnut-Derived Activated Carbon as a Prospective Material for Energy Storage
PublicationIn this work, we present the preparation and characterization of biomass-derived activatedcarbon (AC) in view of its application as electrode material for electrochemical capacitors. Porouscarbons are prepared by pyrolysis of chestnut seeds and subsequent activation of the obtainedbiochar. We investigate here two activation methods, namely, physical by CO2and chemical usingKOH. Morphology, structure and specific surface area (SSA)...
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Antibiotic resistance in wastewater, does the context matter? Poland and Portugal as a case study
PublicationAntibiotic resistance has been considered a major human health threat that may endanger the success of medicine. Recent studies have unveiled worldwide asymmetries of antibiotic resistance occurrence, being factors as diverse as climate, socioeconomic, or antibiotic use possible drivers of such asymmetric distribution. In Europe, where clinical antibiotic resistance is surveyed for more than 20 years, the European Center for Disease...
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Synthesis and molecular structure of novel 2-(alkylthio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamideswith potential anticancer activity
PublicationOtrzymano 15 nowych związków: 2-(alkilotio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-metylobenzenosulfonamidów, dla których opracowano nową metodę syntezy. Dla jednej pochodnej wyznaczono strukturę rentgenowską. Związek nr 36 wykazuje wysoką aktywność przeciwnowotworową w stosunku do 13 linii komórek nowotworowych o poziomie GI_50 w zakresie stężeń 1,9-3,0 μM.
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Determination of cyanide in urine and saliva samples by ion chromatography with pulsed amperometric detection
PublicationCommonly known as a highly toxic chemical, cyanide is also an essential reagent for many industrial processes. It naturally occurs in plant seeds as a cyanogenic glycosides. Another relatively common mode of cyanide exposure is inhalation of environmental tobacco smoke. This study concerns importance to determine cyanide ion in human biological samples. Urine and saliva samples were collected healthy volunteers exposed to tobacco...
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Poultry meat freshness evaluation using electronic nose technology and ultra-fast gas chromatography
PublicationTo ensure that chicken meat products are safe to consume, it is important to be able to reliably determine its shelf-life. To assess the applicability of ultra-fast gas chromatography and electronic nose technology in evaluation of poultry, an analysis of the headspace of ground chicken meat samples refrigerated over a period of 7 days was performed. Chemometric techniques were used to mine additional information from a multiparametric...
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Determination of odour concentration by TD-GC×GC–TOF-MS and field olfactometry techniques
PublicationField olfactometry is one of the sensory techniques used to determine odour concentration, in atmospheric air, directly in emission sources. A two-dimensional gas chromatography with time of flight mass spectrometer (GC×GC–TOF-MS) allows performing the chemical characterization of various groups of chemical compounds, even in complex mixtures. Application of these techniques enabled determination of odour concentration level in...
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Thermal degradation assessment of canola and olive oil using ultra-fast gas chromatography coupled with chemometrics
PublicationOil blending is often used to enhance the properties of vegetable oils. The admixture of a more thermally stable oil makes the resulting blend more suitable for use in frying. A new method of quality assessment of vegetable oils used in frying is presented in this paper. In this method, ultra-fast gas chromatography coupled with flame ionization detector and chemometrics is employed. Principal component analysis was used for data...
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Study of the effect of residues of pharmaceuticals on the environment on the example of bioassay Microtox®
PublicationResidues of pharmaceuticals present in the aqueous environment can be found in a mixture of different substances wherein drugs not remain inert with respect to each other. In such mixtures a phenomenon of synergism or antagonism may occur, which can contribute to increase or decrease the overall toxicity of the mixture of drugs. Pharmaceuticals namely: diclofenac (sodium salt), oxyteracycline hydrochloride, fluoxetine hydrochloride,...
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Determination of MDPBP in postmortem blood samples by gas chromatography coupled with mass spectrometry
PublicationMDPBP (1-(3,4-methylenedioxyphenyl)-2-(1-pyrrolidinyl)-1-butanone) is a new psychoactive substance sold on the black market. It has been a controlled drug of abuse in Poland and China since 2015 as some toxic and fatal cases connected with use of synthetic cathinone derivatives were observed. The fatal case outlined here concerns a 19 year-old man, who was found dead with an envelope containing white powder lying nearby the cadaver....
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The use of HPLC-Q-TOF-MS for comprehensive screening of drugs and psychoactive substances in hair samples and several “legal highs” products
PublicationNon-targeted screening of drugs present in herbal products, known as “legal high” drugs and in hair as a biological matrix commonly used in toxicological investigations was accomplished with the use of high pressure liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). In total, 25 and 14 therapeutical drugs and psychoactive substances/metabolites were detected in investigated hair samples...
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Monitoring of n-butanol vapors biofiltration process using an electronic nose combined with calibration models
PublicationMalodours, by definition, are generally unpleasant, nuisance smells that are a mixture of volatile chemical compounds which can be perceptible even at low concentrations. Due to the more frequent occurrence of odour nuisance associated with the odour sensations, and thus the need to remove them from the air, deodorization techniques are commonly used. Biofiltration is one of the methods of reducing odorants in the air stream. In...
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Complementary use of GCxGC–TOF–MS and statistics for differentiation of variety in biosolid samples
PublicationFormation of biosolid cakes, which are one of the main wastes generated in wastewater treatment plants, is connected with emission of many hazardous chemical compounds, including odoriferous ones. To optimize particular processes of biosolid cake processing, it is necessary to assess chemical composition of the gas mixtures containing the compounds released from the cakes. The paper proposes application of two-dimensional gas chromatography...
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Development and validation of an LC–MS/MS method for the determination of biogenic amines in wines and beers
PublicationBiogenic amines are group of organic, basic, nitrogenous compounds that naturally occur in plant, microorganism, and animal organisms. Biogenic amines are mainly produced through decarboxylation of amino acids. They are formed during manufacturing of some kind of food and beverages such as cheese, wine, or beer. Histamine, cadaverine, agmatine, tyramine, putrescine, and b-phenylethylamine are the most common biogenic amines found...
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The study of salting-out thin-layer chromatography and their application on QSRR/QSAR of some macrolide antibiotics
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Comparison of single best artificial neural network and neural network ensemble in modeling of palladium microextraction
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