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Search results for: ANALYTICAL CHEMISTRY
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Kinetics study of the fully bio-based poly(propylene succinate) synthesis. Functional group approach
PublicationCurrently, the increasing importance of the bio-based chemical compounds development is visible in the polymer chemistry, chemical engineering and materials science. It is well-known that the various purity level and different contaminants characterize petrochemical-based compounds compared to their biobased counterparts. Therefore, it is necessary to find out the contaminants impact on the bio-based monomers synthesis. One of...
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Chemical denudation and the role of sulfide oxidation at Werenskioldbreen, Svalbard
PublicationThis study aims to determine the rate of chemical denudation and the relationships between dominant geochemical reactions operating in the proglacial and subglacial environments of the polythermal glacier Werenskioldbreen (SW Svalbard) during an entire ablation season. Water sampling for major ion chemistry was performed at a proglacial hydrometric station and from subglacial outflows from May to September 2011. These data were...
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Review on mechanisms and efficiency of removal of microbiological contaminants in constructed wetlands
PublicationConstructed wetlands (CW) have been considered as a waste and a stormwater treatment systems for small communities or for areas with unsteady sewage flow conditions. Several investigations were undertaken for estimation suspended solids, organic matter and nutrients efficiency removal but only few focused on retention of microorganisms in constructed wetlands. In this review mechanisms of elimination of viruses, indicator bacteria...
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Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular and supramolecular structures and photoluminescence properties of Pb(ii) polymers
PublicationTo evaluate the impact of the flexible positional isomeric ligands thiophene-2-acetate (2tpacCOO) andthiophene-3-acetate (3tpacCOO) on the construction and self-assembly process of Pb(II) polymers, twonovel compounds, [Pb(2tpacCOO)2(H2O)]n(1) and [Pb(3tpacCOO)2]n(2), were preparedviaanonhydro-thermal method with respect to green chemistry rules. The obtained polymers were fully characterized byelemental analysis, TG/DTG and PXRD,...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Ranking of Heterogeneous Catalysts Metals by Their Greenness
PublicationCatalysis is very important process in industry and laboratory practice, especially from the point of green chemistry principles. However, eco-friendly character of heterogeneous catalysts, containing transition metal components has not been evaluated, yet. Therefore, we perform a comprehensive assessment of 18 heterogeneous metal catalysts (Pd, Pt, V, Co, Ni, Mo, Ru, Mn, Au, Cu, Cd, Zr, Fe, Rh, Ir, Sn, Zn, Ag) using multicriteria...
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublicationMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Application of Nanomaterials for Cadmium Adsorption for Sustainable Treatment of Wastewater: a Review
PublicationMany heavy metals, particularly cadmium, are detrimental to both people and the environment when present in large quantities. In wastewater treatment plants, several conventional approaches are employed for cadmium abatement to restore the ecosystem, food supplies, and health of people and animals. Ion exchange, coagulation, membrane filtration, and chemical precipitation are a few examples of ways for removing heavy metals from...
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Carboxylic acids as efficient corrosion inhibitors of aluminium alloys in alkaline media
PublicationThe efficiency of AA5754 aluminium alloy corrosion inhibition achieved with maleic, malic, succinic, tartaric, citric, tricarballylic acids and serine in alkaline environment (pH 11) was examined. Selected corrosion inhibitors are characterized by different numbers and distribution of carbonyl and hydroxyl groups within their molecules. We have proposed and verified a novel approach for determining the adsorption isotherms based...
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Urban dew formation efficiency and chemistry in Poland
PublicationThe 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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INVESTIGATIONS OF THE EMISSION CHARACTERISTICS OF A DUAL-FUEL GAS TURBINE COMBUSTION CHAMBER OPERATING SIMULTANEOUSLY ON LIQUID AND GASEOUS FUELS
PublicationT his study is dedicated to investigations of the working process in a dual-fuel low-emission combustion chamber for a floating vessel’s gas turbine. As the object of the research, a low-emission gas turbine combustion chamber with partial premixing of fuel and air inside the outer and inner radial-axial swirls was chosen. The method of the research is based on the numerical solution of the system of differential...
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublicationSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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Generation and Characterization of a DNA-GCN4 Oligonucleotide-Peptide Conjugate: The Impact DNA/Protein Interactions on the Sensitization of DNA
PublicationRadiotherapy, the most common therapy for the treatment of solid tumors, exerts its effects by inducing DNA damage. To fully understand the extent and nature of this damage, DNA models that mimic the in vivo situation should be utilized. In a cellular context, genomic DNA constantly interacts with proteins and these interactions could influence both the primary radical processes (triggered by ionizing radiation) and secondary reactions,...
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Investigation on air quality of specific indoor environments—spa salons located in Gdynia, Poland
PublicationDue 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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More Than just Antioxidants: Redox-Active Components and Mechanisms Shaping Redox Signalling Network
PublicationsettingsOrder Article Reprints This is an early access version, the complete PDF, HTML, and XML versions will be available soon. Open AccessReview More Than just Antioxidants: Redox-Active Components and Mechanisms Shaping Redox Signalling Network by Monika Kuczyńska,Patrycja Jakubek andAgnieszka Bartoszek *ORCID Faculty of Chemistry, Gdańsk University of Technology, 80-233 Gdańsk, Poland * Author to whom correspondence should...
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Hydrochar-nanoparticle integration for arsenic removal from wastewater: Challenges, possible solutions, and future horizon
PublicationArsenic (As) contamination poses a significant threat to human health, ecosystems, and agriculture, with levels ranging from 12 to 75% attributed to mine waste and stream sediments. This naturally element is abundant in Earth's crust and gets released into the environment through mining and rock processing, causing ≈363 million people to depend on As-contaminated groundwater. To combat this issue, introducing a sustainable hydrochar...
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Nonconventional 1,8-Diazafluoren-9-One Aggregates for Green Light Enhancement in Hybrid Biocompatible Media
PublicationOrganic aggregates currently play a prominent role, mainly for their unique optoelectronic properties in the aggregated state. Such properties can be related to the aggregates’ structure and the molecular packing mode. In the literature, we have well-established models of H and J aggregates defined based on the molecular exciton model. However, unconventional aggregates, the most unrecognized forms, have been generating interest...
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Enhanced hydrogen evolution reaction on highly stable titania-supported PdO and Eu2O3 nanocomposites in a strong alkaline solution
PublicationIn this work, PdO/TiO2 and Eu2O3/TiO2 nanocomposites (NCs), were synthesized using a new facile, template-free and one-step solvothermal approach, and characterized by several instrumentation techniques. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of oxidised form of the Pd and Eu nanoparticles within the nanocomposite materials (PdO and Eu2O3). The two catalysts exhibited remarkable activity for the HER...
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Acid-aided epoxy-amine curing reaction as reflected in epoxy/Fe3O4 nanocomposites: Chemistry, mechanism, and fracture behavior
PublicationThis work seeks to answer the question whether or not the presence of acid functional groups accelerate epoxyamine curing reaction. Epoxy/Fe3O4 nanocomposite was considered as a case, where discussions are based on chemistry, mechanism behind curing reactions and fracture behavior influenced by acid assistance to crosslinking. Fe3O4 magnetic nanoparticles (MNPs) with nanosilica decorative layer (B-MNP) were synthesized and subsequently...
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES. PART II. ANIONIC COMPOUNDS
PublicationSurfactants (SAA) with negative charge of polar group are named as anionic compounds. They are main constituent of most products containing synthetic surfactants. The linear alkylbenzene sulfonates (LAS), alkyl ethoxysulfates (AES) and alkyl sulfates (AS) are typically applied from this class of compounds. Those surfactants are ingredients of household detergents and cleaners, laundry detergents, cosmetic. Moreover they can be...
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Role of inertia in falling head permeability test
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Chemically induced deformation of a porous layer coupled with advective–dispersive transport. Analytical solutions
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Neohypoplasticity Revisited
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Modelling hydraulic and capillary-driven two-phase fluid flow in unsaturated concretes at the meso-scale with a unique coupled DEM-CFD technique
PublicationThe goal of the research was to demonstrate the impact of thin porous interfacial transition zones (ITZs) between aggregates and cement matrix on fluid flow in unsaturated concrete caused by hydraulic/capillary pressure. To demonstrate this impact, a novel coupled approach to simulate the two-phase (water and moist air) flow of hydraulically and capillary-driven fluid in unsaturated concrete was developed. By merging the discrete...
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Non-coaxiality and stress-dilatancy rule in granular materials: FE-investigation within micro-polar hypoplasticity
PublicationW artykule przedstawiono wyniki numerycznej analizy nieosiowości i zasady naprężenie-dylatancja w materiałach granulowanych podczas ściskania dwuosiowego. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i mikropolarnego modelu hipoplastycznego.
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Deterministic and statistical size effect during shearing of granular layer within a micro-polar hypoplasticity
PublicationArtykuł omawia deterministyczny i statystyczny efekt skali w materiałach granulowanych podczas ścinania cienkiej warstwy piasku między dwoma bardzo szorstkimi ścianami. Obliczenia wykonano metodą elementów skończonych na bazie mikropolarnego prawa hipoplastycznego. Przyjęto różne metody redukujące ilość realizacji pól losowych dla początkowego wskaźnika porowatości..
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Effect of grain crushing on shear localization in granular bodies during plane strain compression. Int. J. Numerical and Analytical Methods in Geomechanics
PublicationArtykuł omawia wpływ miażdżenia ziaren na lokalizacje odkształceń stycznych w materiałach granulowanych podczas ściskania dwuosiowego. Obliczenia MES wykonano przy zastosowaniu mikropolarnego prawa hipoplastycznego uwzględniającego zmianę średniej średnicy ziarna pod wpływem ciśnienia i ścinania. Obliczenia pokazały wpływ miażdżenia ziaren na szerokość lokalizacji.
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Modeling of bearing capacity of footings on sand within stochastic micro-polar hypoplasticity.
PublicationAnalizowano numerycznie efekt wstępnego rozkładu wskaźnika porowatości na wytrzymałość i strefy ścinania w problemach fundamentów na piasku w skali modelowej. Obliczenia wykonano przy zastosowaniu stochastycznej metody elementów skończonych i mikropolarnego modelu hipoplastycznego. Wskaźnik porowatości miał formę skorelowanych pól stochastycznych. Dodatkowo obliczono efekt skali dla 3 różnych szerokości fundamentów.
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Discrete modeling of micro-structure evolution during concrete fracture using DEM
PublicationW artykule pokazano wyniki dyskretne DEM dla betonu poddanego ściskaniu i rozciąganiu jednoosiowemu. Wyniki siła-przemieszczenie i zarysowania porównano z doświadczeniami. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
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Discrete simulations of a triaxial compression test for sand by DEM.
PublicationArtykuł przedstawia wyniki symulacji dyskretnych dla ściskania trójosiowego stosując metodę elementów dyskretnych DEM. Symulacje wykonano dla piasku. Zastosowano kuli z momentami kontaktu do symulacji kształtu ziaren. Przeprowadzono analizy dla różnych zmiennych parametrów: średnica piasku, krzywa uziarnienia, kształt ziaren, wymiary próbki i warunki brzegowe.
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Comparison of continuous and discontinuous constitutive models to simulate concrete behaviour under mixed mode failure conditions
PublicationW artykule porównano modele MES ciągłe i nieciągłe do symulacji zachowania betonu w warunkach mieszanego zniszczenia. W ramach modeli ciągłych zastosowano modele sprężysto-plastyczne oraz modele z redukcją sztywności sprężystej i nielokalnym osłabieniem. W ramach modeli nieciągłych zastosowano XFEM. Przedmiotem obliczeń były strefy lokalizacji i rysy w warunkach mieszanego zniszczenia wg testu doświadczalnego Nooru-Mohameda.
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Effect of gas content in macropores on hydraulic fracturing in rocks using a fully coupled DEM/CFD approach
PublicationW pracy skupiono się na wpływie zawartości gazu w makroporach skał na proces szczelinowania hydraulicznego. Proces został zasymulowany przez połączenie metody elementów dyskretnych (DEM) z obliczeniową dynamiką płynów (CFD) w ramach dwuwymiarowych (2D) warunków izotermicznych. Mechaniczne zachowanie skały zostało zasymulowane za pomocą DEM, a CFD została wykorzystana do opisu zachowanie przepływu laminarnego, dwufazowego płynu...
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Metallurgical characterization and high-temperature tensile failure of Inconel 617 alloy welded by GTAW and SMAW—a comparative study
PublicationTwo types of the weld joint of Inconel 617 alloy were produced using gas tungsten arc welding (GTAW) and shielded metal arc welding (SMAW) processes with ERNiCrCoMo-1 filler metal and ENiCrCoMo-1 electrode, respectively. The weld metal showed the segregation of the principle alloying elements like Mo and Cr along the inter-dendritic spaces, triggering the formation of secondary phases. The microstructure characterization of the...
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Pollutant deposition via dew in urban and rural environment, Cracow, Poland
PublicationThis study is a comparative analysis of dew in rural and urban environment. Dew samples were collected between May and October, 2009 in two reference stations in southern Poland: Cracow and Gaik-Brzezowa. The investigation included comparison of volume and chemistry of the collected samples. Due to its formation mechanisms, dew is a good indicator of air pollution. Following parameters were analyzed in 159 collected samples: pH,...
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Tribo-Environment Dependent Chemical Modification of Sliding Interfaces in Ultrananocrystalline Diamond Nanowall Film: A Correlation with Friction and Wear
PublicationTribological properties of ultrananocrystalline diamond nanowall (UNCD NW) films were investigated quantitatively in three different and controlled tribo-environmental conditions, proposing the passivation and graphitization mechanisms. However, these mechanisms are rather complicated and possibly can be understood in well-controlled tribological conditions. It was shown that the friction and wear of these films were high in highPage 1...
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Tailoring Defects in B, N-Codoped Carbon Nanowalls for Direct Electrochemical Oxidation of Glyphosate and its Metabolites
PublicationTailoring the defects in graphene and its related carbon allotropes has great potential to exploit their enhanced electrochemical properties for energy applications, environmental remediation, and sensing. Vertical graphene, also known as carbon nanowalls (CNWs), exhibits a large surface area, enhanced charge transfer capability, and high defect density, making it suitable for a wide range of emerging applications. However, precise...
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Progress in ATRP-derived materials for biomedical applications
PublicationThe continuing wave of technological breakthroughs and advances is critical for engineering well- defined materials, particularly biomaterials, with tailored microstructure and properties. Over the last few decades, controlled radical polymerization (CRP) has become a very promising option for the synthesis of precise polymeric materials with an unprecedented degree of control over mo lecular architecture. Atom transfer radical...
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Chemiluminogenic acridinium salts: A comparison study. Detection of intermediate entities appearing upon light generation
PublicationThe nine derivatives of acridine-9-carboxylic acid (CMADs) capable for chemiluminescence (CL), representing various classes of compounds were isolated in a chemically pure state (assessed by RP-HPLC) and identified using high resolution mass spectrometry (ESI-QTOF) and magnetic resonance (1H NMR) techniques. Among them are aryl acridinium esters, containing certainly selected and located substituents in both aromatic systems, an...
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Klaudia Kosek dr inż.
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Barbara Kusznierewicz dr hab. inż.
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Effects of biotransport and hydro-meteorological conditions on transport of trace elements in the Scott River (Bellsund, Spitsbergen)
PublicationThe shaping of surface water chemistry in the Svalbard Archipelago is strongly dependent on the geology of the catchment and the process of long-range transport of atmospheric pollutants (LRATP). It was found that the dissolved trace elements in the Scott River, which catchment is characterized by a decreasing degree of glaciation, were of the natural origin (i.a. weathering and dissolution of local geological substratum). The...
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Review on robust laser light interaction with titania – Patterning, crystallisation and ablation processes
PublicationTitanium dioxide is regarded as a very promising semiconducting material that is widely applied in many everyday-use products, devices, and processes. In general, those applications can be divided into energy or environmental categories, where a high conversion rate, and energy and power density are of particular interest. Therefore, many efforts are being put towards the elaboration of novel production routes, and improving the...
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The Green Approach to the Synthesis of Bio-Based Thermoplastic Polyurethane Elastomers with Partially Bio-Based Hard Blocks
PublicationBio-based polymeric materials and green routes for their preparation are current issues of many research works. In this work, we used the diisocyanate mixture based on partially bio-based diisocyanate origin and typical petrochemical diisocyanate for the preparation of novel bio-based thermoplastic polyurethane elastomers (bio-TPUs). We studied the influence of the diisocyanate mixture composition on the chemical structure, thermal,...
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Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2
PublicationPolar magnetic materials exhibiting appreciable asymmetric exchange interactions can potentially host new topological states of matter such as vortex-like spin textures; however, realizations have been mostly limited to half-integer spins due to rare numbers of integer spin systems with broken spatial inversion lattice symmetries. Here, we studied the structure and magnetic properties of the S = 1 integer spin polar magnet β-Ni(IO3)2...
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Ammonium and potassium vanadates: synthesis, physicochemical characterization, and applications
PublicationThis doctoral thesis is devoted to the synthesis and investigation of ammonium/potassium vanadates, which constitute an interesting group of materials due to their potential applications in electrochemical devices and photocatalysis. The scope of the conducted experimental work included the synthesis of ammonium/potassium vanadates, their physicochemical characterization using various methods (spectroscopy, microscopy, thermal...
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H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublicationRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
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The carbohydrate glycosylphosphatidylinositol anchor chain under mechanical stress
PublicationCarbohydrates have quite complicated micro heterogenic structure which may undergo different structural transitions. Due to their extreme flexibility it is very difficult to investigate such structural changes experimentally. In these studies we want to predict what structural and conformational changes are possible in the carbohydrate
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Concentrations and loads of DOC, phenols and aldehydes in a proglacial arctic river in relation to hydro-meteorological conditions. A case study from the southern margin of the Bellsund Fjord – SW Spitsbergen
PublicationClimate warming accelerates the melting and thawing of cryosphere components. Therefore, it favours the release of contaminants stored in High-Arctic glaciers for many years. The rate of land-based glacier retreat is of particular importance for the hydrological regime of glacial rivers, but also for the chemical composition of their waters. In this study, we examined 84 surface water samples collected during a period of 42 days...
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Maciej Przybyłek Dr hab.
People