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Wyniki wyszukiwania dla: MS/MS detection
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Phototransformation of Amlodipine: Degradation Kinetics and Identification of Its Photoproducts
PublikacjaNowadays, monitoring focuses on the primary compounds and does not include degradation products formed during various biological and chemical processes. Transformation products may have the same effects to human health and the environment or sometimes they can be more toxic than the parent compound. Unfortunately, knowledge about the formation of degradation products is still limited, however, can be very important for the environmental...
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Urban dew formation efficiency and chemistry in Poland
PublikacjaThe measurements of dew formation efficiency and chemistry were performed in Poland in September 2009, as a part of a longer, two-year sampling campaign. Pairs of sites, representing centers of major Polish cities and rural conditions in three different regions, were compared. With the aim to get more detailed landuse-oriented characteristics of dew, two additional sites were set close to Wroclaw. Collection of dew at each site...
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The compositional space of exhaled breath condensate and its link to the human breath volatilome
PublikacjaBreath analysis is commonly understood to target gaseous or volatile organic compounds (VOCs) for the characterization of different pathologies. Targeted analysis is most effective if a working hypothesis can be based on a plethora of data. The recently published volatilome builds an optimal basis for organizing powerful target sets. However, the origin and pathways of biosynthesis of many VOCs are not known, which complicates...
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IN VITRO PROPAGATION OF RHODODENDRON TOMENTOSUM - AN ENDANGERED ESSENTIAL OIL BEARING PLANT FROM PEATLAND
PublikacjaRhododendron tomentosum Harmaja (formerly Ledum palustre L.) is a medicinal peat bog plant native to northern Europe, Asia and North America. This plant has a distinctive aroma thanks to the presence of essential oil, to which it also owes its anti-inflammatory, analgesic, antimicrobial and insecticidal properties. However, in Europe R. tomentosum is classified as an endangered species, mainly due to degradation of peatlands. In...
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Integrated approach -the effective tool for pollution level control of sediments from lake turawskie = Kompleksowa ocena stopnia zanieczyszczenia osadów dennych jeziora turawskiego
PublikacjaTurawski zbiornik retencyjny wytypowany został do projektu pilotażowego spośród 14 obiektów zlewni Odry w ramach programu: "Stan ekologiczny jezior zaporowych w dorzeczu Odry i działania na rzecz jego poprawy". Celem projektu jest ocena stanu ekologicznego Jeziora Turawskiego dla uzyskania niezbędnych informacji mających służyć do zaprojektowania i wyboru metody jego remediacji. Jezioro Turawskie jest nizinnym zbiornikiem retencyjnym...
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Identification of volatile compounds in raw spirits of different organoleptic quality
PublikacjaGłównym celem prezentowanych badań było określenie składu lotnej frakcji destylatów rolniczych, a następnie wyodrębnienie profili zapachowych destylatów rolniczych różniących się właściwościami sensorycznymi ocenionymi na podstawie klasycznej analizy sensorycznej. Profile zapachowe tworzono z wykorzystaniem kapilarnej chromatografii gazowej połączonej ze spektrometrią mas (GC-MS). Do ekstrakcji lotnych związków zastosowano technikę...
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Visible light photocatalysis employing TiO2/SrTiO3-BiOI composites: Surface properties and photoexcitation mechanism
PublikacjaA series of binary TiO2/SrTiO3 and ternary TiO2/SrTiO3_BiOI composites have been synthesized using multistep preparation method. Characterization of the obtained photocatalysts covered complex analysis including morphology + y (SEM), BET specific surface area, porosity, optical properties (DRS), chemical composition of surface (XPS), crystal structure and crystal size (XRD). UV–vis and Vis ligh induced photocatalytic activity was...
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Sonocatalytic degradation of Bisphenol A from aquatic matrices over Pd/CeO2 nanoparticles: Kinetics study, transformation products, and toxicity
PublikacjaIn this work, different ratios of palladium – cerium oxide (Pd/CeO2) catalyst were synthesized and characterized, while their sonocatalytic activity was evaluated for the degradation of the xenobiotic Bisphenol A (BPA) from aqueous solutions. Sonocatalytic activity expressed as BPA decomposition exhibited a volcano-type behavior in relation to the Pd loading, and the 0.25Pd/CeO2 catalyst characterized by the maximum Pd dispersion...
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Assessment of Sewage Molecular Markers: Linear Alkylbenzenes in Sediments of an Industrialized Region in Peninsular Malaysia
PublikacjaIn this study, the use of linear alkylbenzenes (LABs) was employed to pinpoint the sources of human activity that cause detrimental impacts on the coastal environment and river ecosystems. LABs were detected using GC–MS in sediment samples assembled from Kim Kim River (KKR) and the Port Dickson coast (PDC). To assess the significance of variations in the distribution and concentrations of LABs across the sampling sites, this study...
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Influence of CeO2 and TiO2 Particles on Physicochemical Properties of Composite Nickel Coatings Electrodeposited at Ambient Temperature
PublikacjaThe Ni-TiO2 and Ni-CeO2 composite coatings with varying hydrophilic/hydrophobic characteristics were fabricated by the electrodeposition method from a tartrate electrolyte at ambient temperature. To meet the requirements of tight regulation by the European Chemicals Agency classifying H3BO3 as a substance of very high concern, Rochelle salt was utilized as a buffer solution instead. The novelty of this study was to implement a...
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3-MCPD: A worldwide problem of food chemistry
Publikacja3-MCPD is a heat-induced food contaminant which has been widely investigated for decades. This paper presents an overview of current knowledge about 3-MCPD including its formation routes, occurrence in various foodstuffs, analytical approach, toxicological aspects and future research perspectives. So far 3-MCPD was determined in its free and bound form in thermally-treated foods, edible oils and fats, and infant foods including...
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Photoactivity of decahedral TiO2 loaded with bimetallic nanoparticles: Degradation pathway of phenol-1- 13 C and hydroxyl radical formation
PublikacjaDecahedral TiO2decorated with bimetallic nanoparticles were synthesized via radiolysis and photode-position method. The effect of bimetallic surface composition (Ag Pt, Ag Au, Au Pd, Au Pt) as well asdeposition technique (simultaneous or sequential) on the photocatalytic activity in phenol degradationand efficiency of hydroxyl radicals generation under UV–vis light irradiation were investigated. Modifiedand pristine decahedral...
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Bioreactor shoot cultures of Rhododendron tomentosum (Ledum palustre) for a large-scale production of bioactive volatile compounds
PublikacjaRhododendron tomentosum Harmaja (Ledum palustre), a peat bog plant from Ericaceae family, has been used in traditional medicine as the anti-arthritis agent. Although modern researches confirm its anti-inflammatory properties, it remains threatened by habitat degradation and possibilities to collect this endangered species from its natural environment for further biological activity studies are limited. Therefore, R. tomentosum...
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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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Enhanced solar light photocatalytic performance of Fe-ZnO in the presence of H2O2, S2O82−, and HSO5− for degradation of chlorpyrifos from agricultural wastes: Toxicities investigation
PublikacjaThis study reported Fe doped zinc oxide (Fe-ZnO) synthesis to degrade chlorpyrifos (CPY), a highly toxic organophosphate pesticide and important sources of agricultural wastes. Fourier transform infrared, X-ray diffraction, scanning electron microscope, and energy-dispersive X-ray spectroscopic analyses showed successful formation of the Fe-ZnO with highly crystalline and amorphous nature. Water collected from agricultural wastes...
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Mechanical Properties and Residual Stress Measurements of Grade IV Titanium and Ti-6Al-4V and Ti-13Nb-13Zr Titanium Alloys after Laser Treatment
PublikacjaNowadays, surface engineering focuses on research into materials for medical applications. Titanium and its alloys are prominent, especially Ti-6Al-4V and Ti-13Nb-13Zr. Samples made of pure grade IV titanium and the titanium alloys Ti-6Al-4V and Ti-13Nb-13Zr were modified via laser treatment with laser beam frequency f = 25 Hz and laser beam power P = 1000 W during a laser pulse with duration t = 1 ms. Subsequently, to analyze...
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Importance of Bile Composition for Diagnosis of Biliary Obstructions
PublikacjaDetermination of the cause of a biliary obstruction is often inconclusive from serum analysis alone without further clinical tests. To this end, serum markers as well as the composition of bile of 74 patients with biliary obstructions were determined to improve the diagnoses. The samples were collected from the patients during an endoscopic retrograde cholangiopancreatography (ERCP). The concentration of eight bile salts, specifically...
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Online Volatile Compound Emissions Analysis Using a Microchamber/Thermal Extractor Coupled to Proton Transfer Reaction-Mass Spectrometry
PublikacjaIndoor air is a complex and dynamic mixture comprising manifold volatile organic compounds (VOCs) that may cause physiological and/or psychological discomfort, depending on the nature of exposure. This technical note presents a novel approach to analyze VOC emissions by coupling a microchamber/thermal extractor (μ-CTE) system to a proton transfer reaction-mass spectrometer (PTR-MS). This configuration provides an alternative to...
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Insight into Potassium Vanadates as Visible-Light-Driven Photocatalysts: Synthesis of V(IV)-Rich Nano/Microstructures for the Photodegradation of Methylene Blue
PublikacjaPhotocatalysis is regarded as a promising tool for wastewater remediation. In recent years, many studies have focused on investigating novel photocatalysts driven by visible light. In this study, K2V6O16·nH2O nanobelts and KV3O8 microplatelets were synthesized and investigated as photocatalysts. Samples were obtained via the facile method based on liquid-phase exfoliation with ion exchange. By changing the synthesis temperature...
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Structure and Stability Characterization of Natural Lake Pigments Made from Plant Extracts and Their Potential Application in Polymer Composites for Packaging Materials
PublikacjaNatural dyes were extracted from various plant sources and converted into lake pigments based on aluminum and tin. Three different plants (weld, Persian berries, and Brazilwood) were chosen as representative sources of natural dyes. High-performance liquid chromatography (HPLC) and triple-quadrupole mass spectrometry (QqQ MS) were used to identify dyestuffs in the raw extracts. The natural dyes and lake pigments were further characterized...
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Retention behaviour of some high-intensity sweeteners on different SPE sorbents
PublikacjaThe objective of this paper is to provide information about application of solid phase extraction (SPE) for isolation of nine high-intensity sweeteners (acesulfame-K, alitame, aspartame, cyclamate, dulcin, neotame, saccharin, sucralose and neohesperidin dihydrochalcone) from aqueous solutions. The influence of several types of LC-MS compatible buffers (different pH values and compositions) on their recovery has been studied and...
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Silicon’s Influence on Polyphenol and Flavonoid Profiles in Pea (Pisum sativum L.) under Cadmium Exposure in Hydroponics: A Study of Metabolomics, Extraction Efficacy, and Antimicrobial Properties of Extracts
PublikacjaThe current study aimed to investigate the impact of silicon (Si) supplementation in the form of Na2SiO3 on the metabolome of peas under normal conditions and following exposure to cadmium (Cd) stress. Si is known for its ability to enhance stress tolerance in various plant species, including the mitigation of heavy metal toxicity. Cd, a significant contaminant, poses risks to...
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Role of Silicon in Counteracting Cadmium Stress in Pea Plants (Pisum sativum L.): Insights Into Cadmium Binding Mechanisms and Pectin Methylesterase Activity
PublikacjaPurpose: The aim of this study was to investigate the role of silicon (Si) in counteracting a cadmium (Cd) stress to pea plants (Pisum sativum L.) and to identify the mechanism by which Cd is bound within pea roots. Methods: These goals were achieved through (i) a histochemical study of Cd localization in pea roots, (ii) spectrophotometric determination of pectin content and the activity...
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Hydroxyl and sulfate radical-based degradation of ciprofloxacin using UV-C and/or Fe2+-catalyzed peroxymonosulfate: Effects of process parameters and toxicity evaluation
PublikacjaCiprofloxacin (CIP) is a valuable antibiotic and discharged in huge quantities in aquatic environment. Different •OH and SO4•−-based advanced oxidation technologies (AOTs), e.g., Fe2+/PMS, UV-C/PMS, and UV-C/Fe2+/PMS are developed for treatment of CIP. The removal of CIP by Fe2+/PMS, UV-C/PMS and UV-C/Fe2+/PMS was 63, 77, and 87 %, respectively, under identical conditions which showed better performance of UV-C/Fe2+/PMS. The UV-C/Fe2+/PMS...
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Zdolni z Pomorza 2017/18 - Java i Android - podstawy programowania
Kursy OnlineCel kursu: Celem kursu jest zapoznanie uczniów z podstawami w zakresie programowania w języku Java oraz z podstawami tworzenia aplikacji w środowisku Android. Opis kursu: Materiał przedstawiany na kursie będzie wprowadzał do zagadnień programowania w języku Java oraz środowiska Android. Od uczniów wymagana jest podstawowa wiedza w zakresie obsługi komputerów. Mile widziane są wcześniejsze doświadczenia w zakresie programowania...
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Zdolni z Pomorza 2018/19 - Java i Android - podstawy programowania
Kursy OnlineCel kursu: Celem kursu jest zapoznanie uczniów z podstawami w zakresie programowania w języku Java oraz z podstawami tworzenia aplikacji w środowisku Android. Opis kursu: Materiał przedstawiany na kursie będzie wprowadzał do zagadnień programowania w języku Java oraz środowiska Android. Od uczniów wymagana jest podstawowa wiedza w zakresie obsługi komputerów. Mile widziane są wcześniejsze doświadczenia w zakresie programowania...
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ZzP - Podstawy budowania stron przy pomocy PHP7 - Spotkanie Akademickie 21.11.2020 r.
Kursy OnlineSpotkanie poświęcone będzie zapoznaniu uczniów z podstawami w zakresie programowania w języku PHP7 przy tworzeniu dynamicznie generowanych treści stron internetowych. Przedstawiany materiał będzie wprowadzał do zagadnień programowania w języku PHP. Od uczniów wymagana jest podstawowa wiedza w zakresie obsługi komputerów, oraz tworzenia prostych stron internetowych za pomocą technologii HTML, CSS i JavaScript. Mile widziane są...
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Relationship between the betalain composition in Opuntia ficus indica and Beta vulgaris varieties and biological activity of their extracts
PublikacjaBetalains are a class of pigments that are much less com- monly found in nature than anthocyanins or carotenoids. They occur only in a few edible plants such as red beetroot (Beta vulgaris), prickly pears (Opuntia ficus indica), amaranth (Amaranthus sp.) and some mushrooms. This group of pig- ments can be divided into two major groups: yellow vulgax- anthins and red betanins. Despite their structural similarity to compounds from...
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Application of analytical methods for the determination of bioactive compounds in some berries
PublikacjaFluorometry, ESI-MS, FTIR, and radical scavenging assays were used for characterization of bioactive compounds and the levels of their antioxidant activities. Polyphenols, flavonoids, anthocyanins, and ascorbic acid and the level of antioxidant activity of water extracts of “Murtilla-like” [Myrteola nummularia (Poiret) Berg.], and other widely consumed berries were determined and compared. The contents of bioactive compounds and...
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The Influence of Laser Alloying of Ti13Nb13Zr on Surface Topography and Properties
PublikacjaThe laser alloying is a continually developing surface treatment because of its significant and specific structuration of a surface. In particular, it is applied for Ti alloys, being now the most essential biomaterials` group for load-bearing implants. The present research was performed on the Ti13Nb13Zr alloy subject to laser modification in order to determine the treatment effects on surface topography and its some mechanical...
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Ultrasound-assisted solvent extraction of porous membrane packed solid samples: A new approach for extraction of target analytes from solid samples
PublikacjaFor the first time, a porous membrane-based method is proposed for the extraction of target analytes directly from the solid samples. This method involves the packing of solid sample inside a porous polypropylene membrane sheet whose edges are heat-sealed to fabricate a bag. This bag is immersed in a suitable solvent and the analytes are extracted by the application of ultrasound energy. The various factors that affect the extraction...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publikacja5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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Influence of steam cooking on pro-health properties of Small and Large variety of Momordica charantia
PublikacjaSteam cooking is one of the most common preparations of Momordicacharantia dishes. This method improved the tastiness of the fruits but at the same time, some changes occurred in the volatile and non-volatile parts of their food matrices. In this study, for the first time these properties were correlated with the found substances affecting the bioactivity of this fruit. Two varieties of Momordicacharantia were analysed and compared....
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Tetracycline degradation for wastewater treatment based on ozone nanobubbles advanced oxidation processes (AOPs) – Focus on nanobubbles formation, degradation kinetics, mechanism and effects of water composition
PublikacjaPresence of pharmaceuticals, especially antibiotics, in industrial and domestic effluents causes serious damage to the environment. Classic wastewater treatment processes, in particular conventional biological treatment methods, are not sufficient to rapidly eliminate antibiotics. Typically, Advanced Oxidation Processes (AOPs) based on activation of hydrogen peroxide, ozone or persulfate for formation of particular type of radical...
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‘Green’ multi - residue methods for the determination of high importance currently used pesticides in environmental samples
PublikacjaThe purpose of the research has been to develop and apply ‘green’ analytical methodologies to control and monitor the level of currently used pesticides from different chemical groups in aqueous samples. For extraction of analytes solid - phase microextraction (SPME) and dispersive liquid - liquid microextraction (DLLME) have been applied and compared. For SPME, commonly used materials for coating fibers include: polydimethylsiloxane...
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Application of BiOClnBrm photocatalyst to cytostatic drugs removal from water; mechanism and toxicity assessment
PublikacjaThe photocatalytic activity of series of BiOClnBrm photocatalysts toward degradation and mineralization of the cytostatic drugs 5-fluorouracil (5-FU) and imatinib mesylate (IMA) both singly and in their mixture under simulated solar and visible light irradiation has been investigated. Screening test revealed that among BiOClnBrm photocatalysts synthesized by a solvothermal method, the one with molar 1.3Cl/0.7Br ratio was the most...
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Investigation on air quality of specific indoor environments—spa salons located in Gdynia, Poland
PublikacjaDue to excessive application of essential oils and scented products in spa salons during aromatherapy and massage sessions, the elevated concentration of total volatile organic compounds (TVOCs), particularly terpenes, which are known as secondary organic aerosol (SOA) precursors, is expected there. This study was aimed at determination of VOCs with a particular regard to terpenes in air samples collected in selected spa salons...
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Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite
PublikacjaIn this study, a new degradation path of sunscreen active ingredient, 2-ethylhexyl-4-methoxycinnamate (EHMC) and 4-methoxycinnamic acid (MCA) in the presence of sodium hypochlorite (NaOCl), was discussed. The reaction products were detected using gas chromatography–mass spectrometry (GC-MS). Since HOCl treatment leads to more polar products than EHMC, application of polar extracting agents, dichloromethane and ethyl acetate/n-hexane...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublikacjaAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Phenolic Content and Related Antioxidant Activities in in vitro Cultures of Cephalotaxus Harringtonia L. Grown in Egypt
PublikacjaAbstract: Quantitative estimation of the total phenolics, total flavonoids, antioxidant activity and HPLC analysis of phenolic compounds in the mother plant, in vitro shooting and callus cultures of Cephalotaxus harringtonia L. grown in Egypt were measured. For shooting behaviour, using Woody plant medium (WPM) with 2 mg/l Benzyladinin (BA) in the second subculture gave the highest number of shootlet/explant (2.33 shootlet/explant)...
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Anthropogenic trace metals in Setiu Wetland: Spatial and seasonal distribution and implications for environmental health
PublikacjaThe growing urban wastewater volume poses a major global environmental challenge, especially in developing nations where inadequate treatment and discharge impact clean water availability. This study focused on Setiu Wetland, aiming to analyze seasonal and spatial variations of trace metals in particulate form from anthropogenic and pathogenic sources. Surface water samples were collected from multiple stations, measuring physical...
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Programowanie aplikacji internetowych
Kursy OnlineKurs "Programowanie aplikacji internetowych" dotyczy projektowania aplikacji internetowych w oparciu o model projektowania ASP.NET MVC (ang. Active Server Pages – Model-View-Controller) z wykorzystaniem języków C# (Back-end), HLML, CSS, Razor (Front-end). Zakres kursu obejmuje: Struktura aplikacji w parciu o model programowania MVC, Kontrolery i metody obsługi zdarzeń – atrybuty ActionVerbs i ActionSelctrors, Projektowanie...
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CTD Gdańsk Deep_2001_2005
Dane BadawczeDataset includes measurements of conductivity (mS cm-1), temperature (°C), sound speed (m s-1) and salinity (PSU) made with the probe Falmouth Scientific Inc. The research was carried out in 2001 (at the turn of May and June), 2003 (beginning of May), 2005 (end of April) and in 2002 and 2004 (at the turn of September and October). In 2002, only temperature...
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Technika dyspersyjnej mikroekstrakcji w układzie ciecz-ciecz z zestaleniem cieczy jonowej
WynalazkiChromatografia gazowa jest najczęściej stosowaną metodą do szybkiej analizy złożonych mieszanin związków chemicznych oraz oceny czystości tych związków, zarówno w przemyśle jak i w rozmaitych laboratoriach. Technika GC umożliwia ustalenie procentowego składu mieszanin związków chemicznych, w których występuje ich nawet kilkaset. Ekstrakcję analitów z roztworów wodnych przeprowadza...
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Zdolni z Pomorza 2018/19 - HTML5 - podstawy programowania
Kursy OnlineCel kursu: Celem kursu jest zapoznanie uczniów z podstawami w zakresie programowania w języku HTML5 oraz z podstawami tworzenia aplikacji w środowisku JavaScript. Opis kursu: Materiał przedstawiany na kursie będzie wprowadzał do zagadnień programowania w języku HTML5 oraz CSS3 i Java Script. Od uczniów wymagana jest podstawowa wiedza w zakresie obsługi komputerów. Mile widziane są wcześniejsze doświadczenia w zakresie programowania...
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Zdolni z Pomorza 2017/18 - HTML5 - podstawy programowania
Kursy OnlineCel kursu: Celem kursu jest zapoznanie uczniów z podstawami w zakresie programowania w języku HTML5 oraz z podstawami tworzenia aplikacji w środowisku JavaScript. Opis kursu: Materiał przedstawiany na kursie będzie wprowadzał do zagadnień programowania w języku HTML5 oraz CSS3 i Java Script. Od uczniów wymagana jest podstawowa wiedza w zakresie obsługi komputerów. Mile widziane są wcześniejsze doświadczenia w zakresie programowania...
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Marlena Gruba mgr inż.
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Oznaczania pozostałości pestycydów w powietrzu na terenie aglomeracji trójmiejskiej i terenach wiejskich
PublikacjaCelem opisanych badań było uzyskanie informacji o poziomie zanieczyszczeń powietrza atmosferycznego przez anality z grupy pestycydów na terenie Aglomeracji Trójmiejskiej, Tczewa oraz terenach wiejskich z wykorzystaniem dozymetrów pasywnych z krążkami z pianki poliuretanowej na etapie pobierania próbek analitów. Praca realizowana była we współpracy z Fundacją ARMAAG (Agencja Regionalnego Monitoringu Atmosfery Aglomeracji Gdańskiej)....
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Spatial and vertical distribution analysis of heavy metals in urban retention tanks sediments: a case study of Strzyza Stream
PublikacjaConcentrations of seven heavy metals (HMs): Zn, Cu, Pb, Cd, Ni, Cr, and Fe in core samples of bottom sediments from four retention tanks (RTs) located along the Strzyza Stream in northern Poland (Gdansk) were measured to obtain a general view of sediment quality. The recognition of contamination and potential environmental impacts is the main aim of this paper. A total of 96 sediment samples were collected from eight sampling sites...
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Multi-GPU-powered UNRES package for physics-based coarse-grained simulations of structure, dynamics, and thermodynamics of protein systems at biological size- and timescales
PublikacjaCoarse-grained models are nowadays extensively used in biomolecular simulations owing to the tremendous extension of size- and time-scale of simulations. The physics-based UNRES (UNited RESidue) model of proteins developed in our laboratory has only two interaction sites per amino-acid residue (united peptide groups and united side chains) and implicit solvent. However, owing to rigorous physics-based derivation, which enabled...