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Search results for: water mediated interactions
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Celebrating 50 years of SWIMs (Salt Water Intrusion Meetings)
PublicationThe Salt Water Intrusion Meetings, or SWIMs, are a series of meetings that focus on seawater intrusion in coastal aquifers and other salinisation processes. 2018 marks the 50th year of the SWIM and the 25th biennial meeting. The SWIM proceedings record half a century of research progress on site characterisation, geophysical and geochemical techniques, variable-density flow, modelling, and water management. The SWIM is positioning...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublicationEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
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FT-IR studies of molecular interactions in formamide-methanol mixtures
PublicationTechniką ATR zmierzono widma FT-IR roztworów metanolu(MeOH) i formamidu(FA) w całym zakresie ich składu. Przeprowadzono analizę faktorową widm, która wykazała obecność dwóch kompleksów molekularnych matanolu z formamidem. Na podstawie profilów stężeniowych indywiduów absorbujących wyznaczono średni skład kompleksów w zależności od składu mieszaniny. Przeprowadzono również analizę pasma CO formamidu metodą widm różnicowych. Wyniki...
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Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
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Supramolecular Interactions between β-Cyclodextrin and the Nucleobase Derivatives of Ferrocene
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Human-computer interactions in speech therapy using a blowing interface
PublicationIn this paper we present a new human-computer interface for the quantitative measurement of blowing activities. The interface can measure the air flow and air pressure during the blowing activity. The measured values are stored and used to control the state of the graphical objects in the graphical user interface. In speech therapy children will find easier to play attractive therapeutic games than to perform repetitive and tedious,...
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Profile irregularities of turned surfaces as a result of machine tool interactions
PublicationThe paper describes the influence of the machining operation on a surface, which disturbs the projection of the tool profile in the form of its relative movements with respect to the object. The elements of the machine tool undergo constant wear during the machining process, it is therefore important to recognize the effects of their influence on the surface's irregularities. Amplitude-frequency analysis of lateral profiles has...
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Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublicationW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...
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Influence of hydrophobization of fumed oxides on interactions with polar and nonpolar adsorbates
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Membrane structure and interactions of peptide hormones with model lipid bilayers
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Raman spectroscopic study of Ni2+-DNA interactions in aqueous systems
PublicationMetodą ramanowskich widm różnicowych określono sposób oddziaływania jonu Ni2+ z DNA(CT) w układach wodnych. Kation Ni(II) koordynuje w pozycjach N7 guaniny (G) i adeniny (A) w powtarzających się sekwencjach GG, AA i GA cząsteczki DNA. Jednocześnie Ni2+ oddziałuje zewnątrz sferowo poprzez cząsteczki wody z grupami fosforanowymi DNA.
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Comparison of Ozonation and Evaporation as Treatment Methods of Recycled Water for Bioethanol Fermentation Process
PublicationThe paper compared the performance of the ethanol yield after alcoholic fermentation with samples of rejected (RW) and permeate water (PW), RW and PW treated by oxidation with ozone (O3) (5 and 15 min) and evaporation, aiming the recirculation back to the bioethanol process. RW and PW were collected after an anaerobic bioreactor (AnBR) used for stillage treatment. Nine types of fermentations were made, where one used 100% tap...
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Study of Cloud Water Samples Collected over Northern Poland
PublicationThe 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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Numerical modal analysis of a vertical rising steel water gate
PublicationVertical rising steel water gates are very common not only in Poland and Germany but also in other countries of the world. Their popularity is mainly attributed to their simplicity of construction, which makes their production process cheaper and faster when compared to other solutions. The aim of this paper is to conduct a numerical modal analysis to examine the eigenvalues and eigenmodes of a vertical rising steel gate. Two cases...
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublicationCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Water: Drinking
PublicationOpisano źródła organicznych i nieorganicznych zanieczyszczeń wody do picia w tym: lotnych związków chlorowcoorganicznych, pestycydów, wielopierścieniowych węglowodorów aromatycznych, polichlorowanych bifenyli, fenoli, kwasów chlorooctowych, aldehydów, ketonów itp. a także metody ich oznaczania. Przedstawiono schemat technik izolacji i oznaczania końcowego oraz schemat metod wykorzystujących analizę fazy nadpowierzchniowej. Opisano...
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Identifying Surface Runoff Pathways for Cost-Effective Mitigation of Pollutant Inputs to Drinking Water Reservoir
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
PublicationIn this paper, the solubility of methane in water along the 400 bar isobar is determined by computer simulations using the TIP4P/Ice force field for water and a simple LJ model for methane. In particular, the solubility of methane in water when in contact with the gas phase and the solubility of methane in water when in contact with the hydrate has been determined. The solubility of methane in a gas–liquid system decreases as temperature...
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Expression and intein-mediated purification of novel staphylokinase SakSTAR with reduced immunogenicity and antiplatelet and antithrombin activation
PublicationSkonstruowano nową formę stafylokinazy zawierającej na swoim C-końcu domenę pochodzącą z C-konieca ----(KOŃCA)---??? hirudyny. Wprowadzono do sekwencji stafylokinazy sekwencje RGD i DGR, odpowiedzialne za zmniejszenie agregacji płytek krwi (52% do 38%) a tym samym zwiększenie skuteczności działania tego białka jako potencjalnego leku. Otrzymany nowy wariant stafylokinazy posiadał zwiększoną aktywność fibrynolityczną, czego przejawem...
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Phyto-mediated photocatalysis: a critical review of in-depth base to reactive radical generation for erythromycin degradation
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Add‐on therapy with doxazosin in patients with hypertension influences arterial stiffness and albuterol‐mediated arterial vasodilation
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Neuronal Nitric Oxide Synthase-Mediated Genotoxicity of 2-Methoxyestradiol in Hippocampal HT22 Cell Line
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Preparation of Pseudopeptides Building Blocks with Retro-Thioamide Bond Mediated via Thiocarbamoyl Meldrum's Acid
PublicationAn easy and efficient synthesis of pseudo tripeptide containing a thiomalonamide moiety was developed. Isothiocyanate derivatives of amino acids react smoothly with 2,2-dimethyl-1,3-dioxane-4,6-dione yielding new thiocarbamoyl Meldrum's acids. Thermal decomposition of this new Meldrum's acid derivatives generate thiocarbamoyl ketenes, which acylate amino acid esters to give pseudo tripeptides.
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Ribes nigrum L. Extract-Mediated Green Synthesis and Antibacterial Action Mechanisms of Silver Nanoparticles
PublicationSilver nanoparticles (Ag NPs) represent one of the most widely employed metal-based engineered nanomaterials with a broad range of applications in different areas of science. Plant extracts (PEs) serve as green reducing and coating agents and can be exploited for the generation of Ag NPs. In this study, the phytochemical composition of ethanolic extract of black currant (Ribes nigrum) leaves was determined. The main components...
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PERFORMANCE OF THE PVT SOLAR COLLECTOR OPERATED WITH WATER –AL2O3 NANOFLUID
PublicationAn experimental investigation of the hybrid module photovoltaic panel -solar collector (PVT) cooled by water-Al2O3 nanofluids has been conducted. The weight fractions of the nanoparticles were 1% and 3%. Thermal efficiency, power efficiency and overall efficiency have been determined for artificial source of light and sunlight. No noticeable effect of the nanoparticle concentration on the overall efficiency of the PVT module has...
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Performance of the PVT solar collector operated with water-Al2O3 nanofluid
PublicationAn experimental investigation of the hybrid module photovoltaic panel -solar collector (PVT) cooled by water-Al2O3 nanofluids has been conducted. The weight fractions of the nanoparticles were 1% and 3%. Thermal efficiency, power efficiency and overall efficiency have been determined for artificial source of light and sunlight. No noticeable effect of the nanoparticle concentration on the overall efficiency of the PVT module has...
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Distribution of volatile organohalogen compounds in petrochemical plant water streams
PublicationThe study assesses halogenated volatile organic compound concentrations in the water and wastewaterstreams of a petrochemical plant. Water samples were collected at 11 sampling points during 5 samplingcampaigns. The samples were collected from the oil dewaxing unit and in the wastewater treatmentplant. Dichloromethane and 1,2-dichloroethane were the most frequently determined compounds. Tetrachloroethenewas also detected at the...
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COMPARATIVE ANALYSIS OF TRANSPORT ORGANIZATION AND FUNCTIONING OF WATER TRAMS IN GDAŃSK, BYDGOSZCZ AND KRAKÓW
PublicationThe subject of this work is to identify and juxtapose solutions implemented in transport provided by water trams for the following cities: Gdańsk, Bydgoszcz and Kraków. As a result of the conducted analysis of transport factors, the degree of conformity of project objectives to the actual role of the water tram has been determined. It was found that the Kraków Water Tram (also known as Cracow Water Tram) is characterized by the...
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Detection of Water on Road Surface with Acoustic Vector Sensor
PublicationThis paper presents a new approach to detecting the presence of water on a road surface, employing an acoustic vector sensor. The proposed method is based on sound intensity analysis in the frequency domain. Acoustic events, representing road vehicles, are detected in the sound intensity signals. The direction of the incoming sound is calculated for the individual spectral components of the intensity signal, and the components...
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Aims of protective areas and conditions of use of water in a catchment area in shaping the water quality of the water reservoirs
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Municipal wastewater reclamation: Reclaimed water for hydrogen production by electrolysis – A case study
PublicationThis paper presents an analysis of a treatment system selection for municipal wastewater stream based on the DuPont Water Solutions WAVE software. The results obtained based on an analysis of 7 different processing cases studies (ultrafiltration and reverse osmosis) confirmed that the application of 2-pass membrane systems enables the reclamation of water from municipal wastewater that fulfills the requirements concerning the...
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A biochemical multi-species quality model of a drinking water distribution system for simulation and design
PublicationDrinking Water Distribution Systems (DWDSs) play a key role in sustainable development of modern society. They are classified as critical infrastructure systems. This imposes a large set of highly demanding requirements on the DWDS operation and requires dedicated algorithms for on-line monitoring and control to tackle related problems. Requirements on DWDS availability restrict the usability of the real plant in the design phase....
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Influence of water salinity on corrosion risk - the case of the southern Baltic Sea coast.
PublicationWater corrosivity in Gdansk Bay, Poland, the southern part of the Baltic Sea, was investigated. The analysed region is heavily industrialized, and the coastline is very diverse. Twenty-seven test points along the coastline were selected. Water parameters such as salinity, total dissolved solids content, resistivity, conductivity, oxygenation, pH and corrosion rate were determined. The results of the investigation are presented....
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Natural deep eutectic solvent based ultrasound assisted liquid-liquid micro-extraction method for methyl violet dye determination in contaminated river water
PublicationSimple and green natural deep eutectic solvent (NADES) based ultrasound assisted liquid-liquid micro-extraction (UA-LLME) method was developed for extraction and determination of methyl violet dye in contaminated river water samples using UV/Vis spectrophotometry. Choline chloride - decanoic acid based natural deep eutectic solvent was used for extraction. Important analytical parameters like pH, deep eutectic solvent volume/phase...
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Potential Toxic Effects of Airport Runoff Water Samples on the Environment
PublicationDespite the positive aspects of the intensive development of aviation, airports are considered large-scale polluters. Pollution caused by runoff water (stormwater) is one of the major problems related to airport operations. The aim of this study was to characterize the potential toxic impact on aquatic life from runoff water discharges from four international airports in Europe. Samples of stormwater were collected at airports...
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Studies on formation and percolation in ionic liquids/TX-100/water microemulsions
PublicationTernary microemulsion systems of H2O/Triton X-100/[BMIM][Tf2N], and H2O/Triton X-100/[BMIM][PF6] were prepared, compared and characterized for phase behavior for different water/surfactant ratios, at 25 °C. It was found that a change of an anion structure in the ionic liquids determines the total monophasic area of the systems. A liquid crystalline mesophase was detected in H2O/Triton X-100/[BMIM][PF6]. The microemulsion domains...
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Influence of concentration on contact angle of water-Cu nanofluid on glass substrate
PublicationIn the paper the results of an experimental investigation of influence of nanoparticle concentration on contact angle of water-Cu nanofluid on glass substrate have been presented. Nanoparticles were tested at the concentration of 0.01%, 0.1%, and 1% by weight. In the present study copper was applied as nanoparticle while distilled, deionized water was used as a base fluid. The mean diameter of nanoparticle is estimated to be 50...
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Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein
PublicationThe dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties...
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Analysis of volatile organic compounds (VOCs) in water samples. Methods and instrumentation
PublicationW pracy przedstawiono stan wiedzy nt. metodyk analitycznych oraz urządzeń kontrolno-pomiarowych, wykorzystywanych w badaniach próbek wody na zawartość lotnych związków organicznych. Szczególną uwagę zwrócono na techniki izolacji i wzbogacania analitów przed etapem oznaczeń końcowych.
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Entropy of water calculated from harmonic approximation: estimation of the accuracy of method
PublicationSome molecular dynamics simulations were performed for liquid TIP4P and SPC water at a constant density (1.00 g/cm(3)) and within the temperature range of 5-90 degrees C. By using harmonic approximation, both the entropy of water S-H and the specific heat c(v) were calculated, and the results were compared to literature data. It was found that harmonic approximation overestimates absolute entropy of TIP4P water by 5.6 J/mol K (similar...
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The Application of Electrolysis Method to Disinfect Water Contaminated by Salmonella and Shigella
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Methods of estimating the elements of water balance in a forested catchment basin
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Influence of sulphate reducing bacteria on water quality in water network
PublicationW pracy zbadano wody podziemne oraz wody rozprowadzane w sieci wodociągowej pod kątem obecności bakterii redukujących siarczany (BRS). Stwierdzono, że BRS były obecne zarówno w wodzie surowej, a także w wodzie uzdatnionej oraz w przewodach sieci wodociągowej.
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Structural features responsible for control of the eukaryotic GlcN-6-P synthase activity
PublicationGlucosamine-6-phosphate (GlcN-6-P) synthase is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. As UDP-GlcNAc, the final product of the hexosamine path, constitutes one of the essential substrates for assembly of bacterial and fungal cell walls, the enzyme is an interesting target for antimicrobial therapy.The structure of E. coli enzyme, known since 2001, forms a dimer of two identical...
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Love your mistakes!—they help you adapt to change. How do knowledge, collaboration and learning cultures foster organizational intelligence?
PublicationPurpose: The study aims to determine how the acceptance of mistakes is related to adaptability to change in a broad organizational context. Therefore it explores how knowledge, collaboration, and learning culture (including “acceptance of mistakes”) might help organizations overcome their resistance to change. Methodology: The study uses two sample groups: students aged 18–24 (330 cases) and employees aged >24 (326 cases) who work...
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Performance of the flat plate solar collector operated with water-Al2O3 nanofluid
PublicationThis paper shows the experimental results of the performance a flat plate solar collector with water-Al2O3 nanofluid as a working fluid. The weight fractions of nanoparticles were 0.1%, 0.2% and 0.4%. The volume flow rate of nanofluid varied from 60 l/h to 170 l/h. The results show that application of nanofluids instead of pure water resulted in higher efficiency of the tested flat plate solar collector for given range of thermal...
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Influence of Osmolytes on Protein and Water Structure: A Step To Understanding the Mechanism of Protein Stabilization
PublicationResults concerning the thermostability of hen egg white lysozyme in aqueous solutions with stabilizing osmolytes, trimethylamine-N-oxide (TMAO), glycine (Gly), and its N-methyl derivatives, N-methylglycine (NMG), N,N-dimethylglycine (DMG), and N,N,N-trimethylglycine (betaine, TMG), have been presented. The combination of spectroscopic (IR) and calorimetric (DSC) data allowed us to establish a link between osmolytes’ influence on...
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Interactions between polyphenolic antioxidants quercetin and naringenin dictate the distinctive redox-related chemical and biological behaviour of their mixtures
PublicationFood synergy concept is suggested to explain observations that isolated antioxidants are less bioactive than real foods containing them. However, mechanisms behind this discrepancy were hardly studied. Here, we demonstrate the profound impact of interactions between two common food flavonoids (individual: aglycones quercetin—Q and naringenin—N− or their glycosides rutin—R and naringin—N+ vs. mixed: QN− and RN+) on their electrochemical...