Wyniki wyszukiwania dla: AMMONIUM TOXICITY
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Polysaccharide-based Nanocomposites for Biomedical Applications: A Critical Review
PublikacjaPolysaccharides (PSA) are taking specific position among biomaterials for advanced applications in medicine. Nevertheless, poor mechanical properties is known as the main drawback of PSA, which highlights need for PSA modification. Nanocomposites PSA (NPSA) are a class of biomaterials widely used as biomedical platforms, but despite their importance and worldwide use have not been reviewed. Herein we critically reviewed application...
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A survey examining the level of knowledge about open educational resources among local librarians
Dane BadawczeThe file contains the results of a survey conducted by the librarians of the Gdansk University of Technology Library among employees of Tricity public libraries on the subject of the use of open educational resources in their daily work. The survey was conducted online using a Google form between November 2021 and February 2022.
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The Quaternization Reaction of 5-O-Sulfonates of Methyl 2,3-o-Isopropylidene-β-D-Ribofuranoside with Selected Heterocyclic and Aliphatic Amines
PublikacjaThe synthesis of N-((methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside)-5-yl) ammonium salts are presented. To determine the effect of the nucleophile type and outgoing group on the quaternization reaction, selected aliphatic and heterocyclic aromatic amines reacted with: methyl 2,3-O-isopropylidene-5-O-tosyl-β-D-ribofuranoside or methyl 2,3-O-isopropylidene-5-O-mesyl-β-D -ribofuranoside or methyl 2,3-O-isopropylidene-5-O-triflyl-β-D-ribofuranoside...
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The effect of surfactants mixtures composition on wetting of different solid materials
PublikacjaThe wetting properties of surfactants mixtures were investigated. Three types of compounds were used: nonionic gemini α, α'-[2,4,7,9-tetramethyl-5-decyne-4,7-diyl]bis[ω-hydroxyl-olioxyethylene] (S-10), anionic sodium dodecyl sulphates (SDS) and cationic dodecyl trimethyl ammonium bromide (DTAB). The materials used in wetting experiments were steel and methyl polymethacrylate. These materials differ...
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Strontium-based nanosized phosphates as anticorrosive fi llers of epoxy and polyurethane coating compositions
PublikacjaAnticorrosive epoxy and polyurethane coatings were compounded using zinc-free nanosized phosphates of strontium (SP) or strontium and aluminum (SAP). For comparison, a nanosized calcium aluminum ammonium phosphate (CAP) and a microsized zinc phosphate (ZP) were tested. Results of salts spray and cyclic corrosion tests revealed better anticorrosive properties of the SAP-based coatings...
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Removal of Pharmaceutically Active Compounds in Sequencing Batch Reactor
PublikacjaIn recent years, considerable attention was paid to the presence of organic micro-pollutants such as Active Pharmaceutical Ingredients (API) in the aquatic environment due to their negative impact on public health and aquatic ecosystems. Numerous papers have pointed out API presence as common constituents of effluents from Wastewater Treatment Plants (WWTPs). This is the result of various efficiencies of API removal by conventional...
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Thermodynamic study of binary mixtures of 2-propanol with ionic liquids, 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate and triethylhexylammonium bis(trifluoromethylsulfonyl)imide
PublikacjaIn this work, densities, speeds of sound, refractive indices and viscosities of three binary mixtures containing the ionic liquids 1-hexyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl)imide, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate and triethylhexyl-ammonium bis(trifluoromethylsulfonyl)imide, mixed with 2-propanol at wide temperature and composition ranges at atmospheric pressure have been measured. From these...
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Nutrient recovery from deammonification effluent in a pilot study using two-step reject water treatment technology
PublikacjaThe aim of this study was to assess the possibility of phosphorus and nitrogen recovery from the liquid fraction of digestates (reject water) pilot study using a two-step technology, where the precipitation of biogenic compounds in the form of magnesium ammonium phosphate (struvite) will be preceded by a deammonification process. The tests confirmed the possibility of nutrient recovery from deammonification effluent. A removal...
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Therapeutic Potential of Multifunctional Tacrine Analogues
PublikacjaTacrine is a potent inhibitor of cholinesterases (acetylcholinesterase and butyrylcholinesterase) that shows limiting clinical application by liver toxicity. In spite of this, analogues of tacrine are considered as a model inhibitor of cholinesterases in the therapy of Alzheimer’s disease. The interest in these compounds is mainly related to a high variety of their structure and biological properties. In the present review, we...
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Cyanides in the environment—analysis—problems and challenges
PublikacjaCyanide toxicity and their environmental impact are well known. Nevertheless, they are still used in the mining, galvanic and chemical industries. As a result of industrial activities, cyanides are released in various forms to all elements of the environment. In a natural environment, cyanide exists as cyanogenic glycosides in plants seeds. Too much consumption can cause unpleasant side effects. However, environmental tobacco smoke...
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Mercury in Living Organisms: Sources and Forms of Occurrence, Bioaccumulation, and Determination Methods
PublikacjaMercury (Hg) is a heavy metal with well-known and broadly tested toxicity. Since Hg pollution and its impacts on human health are of global concern, it has become necessary to develop analytical methodologies that will provide tools to obtain reliable analytical information about the levels of Hg in samples, which very often have a complex matrix composition. This chapter summarizes key information on Hg and its chemical forms,...
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Application of deep eutectic solvents (DES) in analytical chemistry
PublikacjaRecent years have been associated with efforts to reduce the impact on the natural environment. A greener approach has been introduced in various areas of science, including analytical chemistry. One of the basic procedures for preparing a sample for analysis is its extraction. Traditional methods involve the use of large amounts of organic compounds, often toxic, with an unfavorable impact on the environment. A representative...
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Assessing ecotoxicity and the endocrine potential of selected phthalates, BADGE and BFDGE derivatives in relation to environmentally detectable levels
PublikacjaThere is no doubt that the subject area of plasticmaterials (e.g., production of epoxy resins or polyesters) is inherently connected to issues concerning bisphenol A (BPA) and its analogues. Unfortunately, much less attention has been given to other compounds, which are also used for the production of these materials. Bisphenol A diglycidyl ether (BADGE) is a synthetic industrial compound obtained by a condensation reaction between...
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Nowe substancje psychoaktywne Cz. III. Syntetyczne katynony-charakterystyka, metody oznaczania i wyzwania analitycznje
PublikacjaSyntetyczne katynony to druga co do liczebności (po syntetycznych kannabinoidach) grupa nowych substancji psychoaktywnych będących składnikiem dopalaczy zabezpieczanych przez policję w nielegalnym handlu. Substancje te po raz pierwszy wykryto w Europie w 2004 r., a do końca roku 2015 zidentyfikowano aż 103 nowe związki z tej grupy. Możliwość wprowadzania dodatkowych grup funkcyjnych w strukturę katynonu pozwala na niezwykle wiele...
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Study of Cloud Water Samples Collected over Northern Poland
PublikacjaThe paper gives the results of the first studies on the chemistry of cloud water collected during 3 mo (Aug.–Oct. 2010) in the free atmosphere over the area to the south of the Tri-City (Gdansk-Sopot-Gdynia) conurbation on the Gulf of Gdansk, Poland. Taken from cumulus, stratus, and stratocumulus clouds by means of an aircraft-mounted collector, the water samples were analyzed for the following contaminants: anions (chlorides,...
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Smartphone-based digital image colorimetry for the determination of total capsaicinoid content in chili pepper extracts
PublikacjaA simple smartphone-based digital image colorimetry was proposed for the determination of total capsaicinoid content and the assessment of chili pepper pungency. The biobased solvent D-limonene was used for the first time to isolate analytes. Capsaicinoids were efficiently separated from chili pepper by solid-liquid extraction with D-limonene followed by partitioning of the analytes into the ammonium hydroxide solution to eliminate...
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TOXICOLOGICAL ASSESSMENT OF FOOD PACKAGES EXTRACTS
PublikacjaIn the scientific literature related to the widely understood issue of packaging materials designed to have contact with food (Food Contact Materials – FCM) there is much information on raw materials used for their production, their physiochemical properties, types and parameters. There is also a great number of publications on the management and disposal of used packaging. Unfortunately, not much attention is given to the matters...
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Model-Based Evaluation of N2O Production Pathways in the Anammox-Enriched Granular Sludge Cultivated in a Sequencing Batch Reactor
PublikacjaA mechanistic model was developed as an extension of the Activated Sludge Model No. 1 to describe three nitrous oxide (N2O) production pathways in a laboratory-scale anammox-enriched granular sequencing batch reactor. Heterotrophic denitrification and two processes mediated by ammonia oxidizing bacteria (AOB), that is, ammonia (NH4+) oxidation via hydroxylamine (NH2OH) and autotrophic denitrification, were considered. A systematic...
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Development of Strategies for AOB and NOB Competition Supported by Mathematical Modeling in Terms of Successful Deammonification Implementation for Energy-Efficient WWTPs
PublikacjaNovel technologies such as partial nitritation (PN) and partial denitritation (PDN) could be combined with the anammox-based process in order to alleviate energy input. The former combination, also noted as deammonification, has been intensively studied in a frame of lab and full-scale wastewater treatment in order to optimize operational costs and process efficiency. For the deammonification process, key functional microbes include...
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The metagenomic approach to characterization of the microbial community shift during the long-term cultivation of anammox-enriched granular sludge
PublikacjaA metagenomic approach was used to investigate how the microbial community composition changes when an anammox-based granular sludge reactor is seeded with nitritation-anammox biomass from a wastewater treatment plant. In the seed sample, the abundance of Candidatus Kuenenia stuttgartiensis was similar to Candidatus Jettenia caeni (12.63 vs. 11.68%). This biomass was typical in terms of microbial nitrogen conversion; both ammonia...
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Cobalt(II) and Cobalt(III) Tri‐tert‐butoxysilanethiolates. Synthesis, Properties, Crystal and Molecular Structures of [Co{μ‐SSi(OBut)3}{SSi(OBut)3}(NH3)]2 and [Co{SSi(OBut)3}2(NH3)4][SSi(OBut)3] Complexes
PublikacjaThe heteroleptic neutral tri‐tert‐butoxysilanethiolate of cobalt(II) incorporating ammonia as additional ligand (1) has been prepared by the reaction of a cobalt(II) ammine complex with tri‐tert‐butoxysilanethiol in water. Complex 1, dissolved in hexane, undergoes oxidation in an ammonia saturated atmosphere to the ionic cobalt(III) compound 2. Molecular and...
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Determination of Toxicological Parameters of Selected Bioactive Organic Chemicals Using the Ostracodtoxkit FTM
PublikacjaAssessment of the impact of pharmaceutical residues on living organisms is very complex subject. Apart from taking into account the toxicity of individual compounds also their presence in mixtures should be taken into account. In this work, attempts were made to assess the ecotoxicity of biologically active substances (with 50 % effective concentration (EC50) values growing from fluoxetine (EC50 = 4.431 nM) >> gemfibrozil ≈ 17α-ethinylestradiol...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublikacjaAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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AFM visualization of Mg alloy surface modification
Dane BadawczeMagnesium alloys with additives improving their mechanical properties are valued as materials with low density and elasticity coefficient. Additionally, their biocompatibility and biodegradability make them interesting in prosthetic applications. However, the last of these features, valuable in medicine, contradicts the industrial needs for the described...
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Deodorization of model biogas by means of novel non-ionic deep eutectic solvent
PublikacjaThe paper presents new non-ionic deep eutectic solvent (DES) composed of natural and non-toxic components i.e. guaiacol, camphor and levulinic acid in 1:1:3 molar ratio as a promising absorbent for removal of selected volatile organic compounds (VOCs) including dichloromethane, toluene, hexamethyldisiloxane and propionaldehyde from model biogas. The affi nity of DES for VOCs was determined as vapour-liquid coeffi cients and the...
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Rigid polyurethane foams modified with selected layered silicate nanofillers
PublikacjaThe aim of this study was to investigate the effect of three different nanofillers on the properties of rigid polyurethane foams, which were prepared by a one-step, laboratory-scale method from a two-component system at the ratio of NCO groups to OH groups equaled to 2. The reaction mixture consisted of the proper amounts of the commercial oligoether polyol, catalysts, water, nanoclays, and polymeric diphenylmethane diisocyanate....
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Endangering of Groundwater on the Municipal Intakes in Gdańsk
PublikacjaGroundwater from the Quaternary aquifer on the marine terrace in Gdańsk has been exploited for almost a century, supplying the town with water of good quality. However intensive exploitation in the past and development of the urban area influenced the chemical composition of the water. Hydrogeochemical background for such ions as chlorine, sulphate and ammonia has changed and also some organic micro compounds appeared in single...
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Ocena klimatu akustycznego w przestrzeni pasażerskiej elektrycznego zespołu trakcyjnego serii EN57
PublikacjaW pracy przedstawiono wyniki badań poziomów dźwięku w przestrzeni pasażerskiej elektrycznego zespołu trakcyjnego (EZT) serii EN57 podczas postoju, rozruchu, jazdy oraz hamowania. Badania przeprowadzono na podstawie autorskiej metodyki badawczej bazując na normie PNEN ISO 3381:Kolejnictwo. Akustyka. Pomiar hałasu wewnątrz pojazdów szynowych. Badania przeprowadzono na linii kolejowej nr 250 od przystanku Gdańsk Śródmieście do stacji...
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Application of multicriteria decision analysis to assess the greenness of molecularly imprinted polymers synthesis components
PublikacjaThe study applies multicriteria decision analysis (MCDA) to rank the components of molecularly imprinted polymers (MIPs) synthesis according to their greenness. The components are taken from papers that are describing synthesis of MIPs for persistent organic pollutants (POPs) sorbents. Functional monomers (n = 14), target/surrogate molecules (n = 10), porogens (n = 8), cross-linking agents (n = 8) and initiators (n = 4) are described...
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Latest Insights on Novel Deep Eutectic Solvents (DES) for Sustainable Extraction of Phenolic Compounds from Natural Sources
PublikacjaPhenolic compounds have long been of great importance in the pharmaceutical, food, and cosmetic industries. Unfortunately, conventional extraction procedures have a high cost and are time consuming, and the solvents used can represent a safety risk for operators, consumers, and the environment. Deep eutectic solvents (DESs) are green alternatives for extraction processes, given their low or non-toxicity, biodegradability, and reusability....
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Processes and pathways of nutrients, selected heavy metal and arsenic removal from surface runoff from the agricultural and urban catchments in floating treatment wetlands - microcosm study nutrients results
Dane BadawczeA dataset containing results of nutrients (N and P) concentrations in synthetic effluents (simulating surface runoff contaminated with nutrients, metals - Cu, Cd, and Pb, and metalloid - As) treated with 4 native macrophytes: Phragmites australis, Iris pseudacorus, Typha latifolia, and Alisma plantago aquatica. Nitrogen and phosphorus (total phosphorus,...
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Comparative study of a bottoming SRC and ORC for Joule–Brayton cycle cooling modular HTR exergy losses, fluid-flow machinery main dimensions, and partial loads
PublikacjaEnergy conversion efficiency increase in power plants with high-temperature gas-cooled reactors via implementation of the bottoming cycle was investigated under nominal and minimal thermal load of a high-temperature reactor (HTR). Heat transfer surface area and turbine outlet volumetric flow rate in bottoming cycles was also investigated. Water and two low-boiling point working fluids (ammonia and ethanol) were analyzed. Analyzed...
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Peptydy penetrujące – rodzaje i mechanizmy przenikania przez błony komórkowe
PublikacjaPeptydy penetrujące z pewnością są wyjątkową i ciekawą grupą związków peptydowych. Zostały odkryte ponad dwadzieścia lat temu, ale wiedza na ich temat wciąż jest rozbudowywana. Liczne badania nad mechanizmami ich przenikania do wnętrza komórek pozwalają zrozumieć jakie cechy strukturalne warunkują ich zdolność do penetracji komórek. Wiedza ta pozwala na projektowanie nowych, bardziej efektywnych peptydów penetrujących., które mogą...
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The Impact of Hybrid Flame Retardant Compositions on the Performance of Foamed Flexible Polyurethane/Ground Tire Rubber Composites
PublikacjaCurrent sustainability-oriented trends affect polyurethane (PU) materials and stimulate the incorporation of recycled or waste-based materials as fillers. Ground tire rubber (GTR) poses as an auspicious candidate due to the excellent performance of car tires. Despite the benefits related to the mechanical performance, it contributes to the increasing flammability of the resulting composites. Herein, presented work assessed the...
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The effect of hybridization of fire retarded epoxy/flax-cotton fiber laminates by expanded vermiculite: Structure-property relationship study
PublikacjaThe study describes the hybridization of epoxy/flax-cotton (EP/FF) composites containing ammonium polyphosphate (APP) with micrometric expanded vermiculite (VMT) (1–10 wt%). The efficiency of hybridization of flame retarded epoxy/flax-cotton composites was assessed by performing static tensile and flexural strength evaluation, supplemented by impact strength measurements of the composites. Moreover, thermal and thermomechanical...
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Prediction of Wastewater Quality at a Wastewater Treatment Plant Inlet Using a System Based on Machine Learning Methods
PublikacjaOne of the important factors determining the biochemical processes in bioreactors is the quality of the wastewater inflow to the wastewater treatment plant (WWTP). Information on the quality of wastewater, sufficiently in advance, makes it possible to properly select bioreactor settings to obtain optimal process conditions. This paper presents the use of classification models to predict the variability of wastewater quality at...
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Ecological and Health Effects of Lubricant Oils Emitted into the Environment
PublikacjaLubricating oils used in machines with an open cutting system, such as a saw or harvester, are applied in forest areas, gardening, in the household, and in urban greenery. During the operation of the device with an open cutting system, the lubricating oil is emitted into the environment. Therefore, the use of an oil base and refining additives of petroleum origin in the content of lubricants is associated with a negative impact...
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublikacjaAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Analytical procedures for quality control of pharmaceuticals in terms of residual solvents content: Challenges and recent developments
PublikacjaResidual solvents play an important role in the synthesis of drugs and in product formulations. In addition, they pose a serious problem, that is toxicity, as many of them exhibit toxic or environmentally hazardous properties. Therefore, constant monitoring of quality control is needed. In this study, we present an overview of regulatory and general methods described by various pharmacopoeias. Then, the most commonly used methodologies...
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Inhibitors of glucosamine-6-phosphate synthase as potential antimicrobials or antidiabetics – synthesis and properties
PublikacjaGlucosamine-6-phosphate synthase (GlcN-6-P synthase) is known as a promising target for antimicrobial agents and antidiabetics. Several compounds of natural or synthetic origin have been identified as inhibitors of this enzyme. This set comprises highly selective L-glutamine, amino sugar phosphate or transition state intermediate cis-enolamine analogues. Relatively low antimicrobial activity of these inhibitors, poorly penetrating...
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Natural Products Counteracting Cardiotoxicity during Cancer Chemotherapy: The Special Case of Doxorubicin, a Comprehensive Review
PublikacjaCardiotoxicity is a frequent undesirable phenomenon observed during oncological treatment that limits the therapeutic dose of antitumor drugs and thus may decrease the effec-‐‑ tiveness of cancer eradication. Almost all antitumor drugs exhibit toxic properties towards cardiac muscle. One of the underlying causes of cardiotoxicity is stimulation of oxidative...
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A novel approach to enhance high optically active L-lactate production from food waste by landfill leachate
PublikacjaThe recycling of food waste (FW) through anaerobic fermentation into lactic acid (LA), with two isomers L-LA and D-LA, aligns with the principles of a bio-based circular economy. However, FW fermentation is often limited by competing pathways, acidification inhibition, and trace metals deficiency. This study investigates the introduction of landfill leachate, containing buffering agents (ammonia) and trace metals, into FW fermentation....
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Optymizm przedsiębiorców a ich postawy wobec zmian
PublikacjaArtykuł dotyczy postaw przedsiębiorców wobec wprowadzania zmian w zarządzanych przez nich firmach. Celem podjętych badań była weryfikacja hipotezy, że poziom optymizmu przedsiębiorcy wpływa na akceptację sytuacji zmian w organizacji i otwartość na jej wdrażanie. Badaniom kwestionariuszowym poddano przedsiębiorców działających na terenie Trójmiasta. Wykorzystano Skalę Orientacji Pozytywnej oraz adaptację Skali Postaw Pracowniczych...
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Application of safirinium N-hydroxysuccinimide esters to derivatization of peptides for high-resolution mass spectrometry, tandem mass spectrometry, and fluorescent labeling of bacterial cells
PublikacjaMass spectrometry methods are commonly used in the identification of peptides and biomarkers. Due to a relatively low abundance of proteins in biological samples, there is a need for the development of novel derivatization methods that would improve MS detection limits. Hence, novel fluorescent N-hydroxysuccinimide esters of dihydro-[1,2,4]triazolo[4,3-a]pyridin-2-ium carboxylates (Safirinium P dyes) have been synthesized. The...
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Soil and groundwater contamination as a result of sewage sludge land application
PublikacjaThe leaching of chemical compounds (N-NO3, N-NH4, Norg, P-PO4, Ptot) and trace elements (Cd, Cu, Cr, Ni, Zn, and Pb) from sewage sludge and their migration through the soil profile was the subject of the study. The column experiments were carried out under atmospheric conditions corresponding to naturally occurring storm events - sewage sludge amended soil was irrigated with high rates of water. The column filter media used in...
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Influence of hydrochloric acid concentration and type of nitrogen source on the electrochemical performance of TiO2/N-MoS2 for energy storage applications
PublikacjaIn this work, nitrogen-doped molybdenum sulfide was directly deposited on titanium dioxide nanotubes substrate (TiO2/N-MoS2) during hydrothermal synthesis. The study focuses on the influence of hydrochloric acid concentration used for the synthesis, with the results indicating its essential role in thioacetamide hydrolysis and thus in the effectiveness of the N-MoS2 deposition. The electrode material itself is characterized by...
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Extracellular proteolytic activity of Deinococcus geothermalis
PublikacjaProduction of extracellular protease by extremophilic bacteria Deinococcus geothermalis cultivated in liquid media containing 0.1% (w/v) of peptone K, 0.1% yeast extract and 0.2% marine salt reached a maximum in 14 h of the cell growth at 45°C and pH 8.0. The enzyme was purified by a two-step procedure using fractionation by a graded ammonium sulphate precipitation technique and gel filtration on Sephadex G-100 column. Protease...
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Analysis of the selection of low-temperature medium for a turbine power plant using ocean thermal energy (OTEC)
PublikacjaThe paper presents the results and conclusions of numerical calculations modelled in the EES program of a closed OTEC cycle. The following mediums were analysed: ammonia, R32, R41, R404a, R407c, R410a, R423a, R500, R502, R507a and R114, R152a, R234fa, R600, R1234yf, R1234ze. Analogous assumptions were adopted as in the ORC cycle with heat regeneration for dry refrigerants without regeneration for wet refrigerants. Each of them...
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Analysis of the selection of low temperature medium for a turbine power plant using ocean thermal energy (OTEC)
PublikacjaThe paper presents the results and conclusions of numerical calculations modelled in the EES program of a closed OTEC cycle. The following mediums were analysed: ammonia, R32, R41, R404a, R407c, R410a, R423a, R500, R502, R507a and R114, R152a, R234fa, R600, R1234yf, R1234ze. Analogous assumptions were adopted as in the ORC cycle with heat regeneration for dry refrigerants without regeneration for wet refrigerants. Each of them...
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Investigation of the C-1311 glucuronidation: an electrochemical approach
Dane BadawczeThis study was undertaken to investigate the glucuronidation of the compound C-1311 (5-diethylaminoethylamino-8-hydroxyimidazoacridinone – the model anticancer acridine derivative) using electrochemistry/mass spectrometry (EC/MS) as a complementary technique to in vitro (liver microsomes) and in silico approaches.