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Search results for: APPARENT MOLAR VOLUME APPARENT MOLAR COMPRESSIBILITY MOLECULAR DYNAMICS AMINO ACID IONIC LIQUIDS MORPHOLINIUM IONIC LIQUIDS WATER
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Molecular Heteroconjugation Equilibria in (n-Butylamine + Acetic Acid) Systems in Binary (Dimethyl Sulfoxide + 1,4-Dioxane) Solvent Mixtures
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Molecular heteroconjugation equilibria in (n-butylamine + acetic acid) systems in binary (dimethyl sulfoxide + 1,4-dioxane) solvent mixtures
PublicationWyznaczono stałe kwasowe Ka(HA), Ka(BH+) oraz stałe równowagi KAHA-, KBHE+ i KAHB, w układach (n-butyloamina + kwas octowy) bez przeniesienia protonu w binarnych mieszaninach rozpuszczalników (DMSO + 1,4-dioksan). Wartości stałych wyznaczono z wykorzystaniem metody miareczkowania potencjometrycznego przy stałej sile jonowej. Stwierdzono, iż stałe heterokoniugacji molekularnej w badanych mieszaninach rozpuszczalników są liniowo...
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Poly-L-Lysine-modified boron-doped diamond electrodes for the amperometric detection of nucleic acid bases
PublicationBoron-doped diamond (BDD) is a very promising supporting material used in the construction of biosensors for molecular recognition. The direct immobilization of structurally-organized huge molecules, such as poly-L-Lysine (PLL) provides the possibility of determining organic molecules, e.g. nucleic acid bases (e.g. adenine, guanine) or peptides and proteins. This paper describes the direct method for chemical and electrochemical...
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Identification and molecular modeling of a novel lipase from an Antarctic soil metagenomic library.
PublicationIn this work, we present the construction of a metagenomic library in Escherichia coli using pUC19 vector and environmental DNA directly isolated from Antarctic topsoil and screened for lipolytic enzymes. The screening on agar supplemented with olive oil and rhodamine B revealed one clone with lipolytic activity (Lip1) out of 11,000 E. coli clones. This clone harbored a plasmid, pLip1, which has an insert of 4722 bp that has been...
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Water Treatment 2022/2023
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WATER TREATMENT 2023/2024
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WATER TREATMENT 2024/2025
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Water Resources Management 2023
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Leszek Ziemczonek dr
PeopleUniversity education 1973-1978 – Nicolaus Copernicus University in Toruń, University of Gdańsk in Gdańsk, Mathematical Physics, M. Sc. 1979 – Diploma of Postgraduate Studies, Pedagogics 1989 – Institute of Physics, Polish Academy of Sciences in Warsaw, Theoretical Physics, Ph. D. 2010-2012 – Diploma of Postgraduate Studies, Mathematics Training: · 09.1983 – Trieste (Italy) – International Centre for Theoretical Physics...
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Multi-stage magnetic-fluid seals for operating in water - life test procedure, test stand and research results
PublicationThe edge criteria for magnetic-fluid seals durability research are critical for the seal'stechnological usefulness. The magnetic fluid seal technology in water is much moredifficult technological problem in comparison to gas or vacuum environment. There isalways problem with immediate contact between magnetic fluid and the environmentaluninspected liquids. In the paper are presented ways of experiments definitions carried outwith...
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Physical Properties of Buckwheat Water Biscuits Formulated from Fermented Flours by Selected Lactic Acid Bacteria
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Recognizing emotions on the basis of keystroke dynamics
PublicationThe article describes a research on recognizing emotional states on the basis of keystroke dynamics. An overview of various studies and applications of emotion recognition based on data coming from keyboard is presented. Then, the idea of an experiment is presented, i.e. the way of collecting and labeling training data, extracting features and finally training classifiers. Different classification approaches are proposed to be...
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Greener organic solvents in analytical chemistry
PublicationThe paper presents the most recent advances in analytical applications of greener organic solvents. Substitution of problematic solvents with more benign organic ones is much easier than shifting to technique applying alternative solvents, such as ionic liquids or supercritical fluids. In the area of liquid chromatography greener mobile phases, much attention is given to application ethanol or acetone instead of acetonitrile. Solvent-based...
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Theoretical estimation of acid–base properties of Lewis and Brønsted centres at the V-W-O catalyst surface: water molecule as the probe in DFT calculations
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Numerical analysis of vacuum drying of a porous body in the integrated domain
Publicationn the present study, the vacuum drying process of an apple slice is numerically modeled based on a control volume method. Transient two-dimensional Navier– Stokes, energy, moisture, and Luikov equations are solved by numerical coding (Fortran) to simulate the simultaneous heat and mass transfer in the ambient and apple slice, respectively. The privilege of using Luikov's model is that the capillary forces are considered, and a...
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On the problem of optimised allocation of water quality sensors and actuators in DWDS
PublicationThe problems of water quality sensors and actuators placement in drinking water distribution systems (DWDSs) are addressed as separate, primarily. However, against the background of control systems theory, the nature of DWDSs dynamics indicates that these both problems are interdependent and impact the design of related water quality monitoring and control structures and algorithms. The research work presented in this paper is...
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Dynamics of Ice Jam Formation and Release
PublicationThe numerical model DynaRICE and its application to ice jam formation and release is presented. The model is a two-dimensional coupled flow and ice dynamic model. The ice dynamic component, which includes both the internal ice resistance and boundary friction on ice motion, uses a Lagrangian SPH method. The hydrodynamic component of the model uses a streamline upwind finite element method, which is capable of simulating trans-critical...
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Arginine-, d-arginine-vasopressin, and their inverso analogues in micellar and liposomic models of cell membrane: CD, NMR, and molecular dynamics studies
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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins
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Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy
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Sessile droplet contact angle of water–Al2O3, water–TiO2 and water–Cu nanofluids
PublicationThis work presents measurements of the contact angle of sessile droplets for three nanofluids, i.e. water–Al2O3, water–TiO2 and water–Cu. The plates made of glass, anodized aluminium and stainless steel of different roughness served as substrates. Ultrasonic vibration was used for 30–60 min in order to stabilise the dispersion of the nanoparticles. Nanoparticles were tested at the concentration of 0.01%, 0.1%, and 1% by weight....
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Antifungal Effect of Penicillamine Due to the Selective Targeting of L-Homoserine O-Acetyltransferase
PublicationDue to the apparent similarity of fungal and mammalian metabolic pathways, the number of established antifungal targets is low, and the identification of novel ones is highly desirable. The results of our studies, presented in this work, indicate that the fungal biosynthetic pathway of L-methionine, an amino acid essential for humans, seems to be an attractive perspective. The MET2 gene from Candida albicans encoding L-homoserine...
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Determination of SCFAs in water using GC-FID. Selection of the separation system
PublicationIn the present study, an analytical procedure was developed for the determination of short-chain fatty acids (SCFAs) in landfill leachate and municipal wastewater employing injection of aqueous samples to gas chromatograph with flame ionization detector (GC-FID). Chromatographic conditions such as a separation system, injection volume, oven temperature program were investigated and selected. With two columns, one with a polar (polyethylene...
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublicationDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublicationReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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Chitosan-based nanomaterials for removal of water pollutants
PublicationThe rise of micropollutants presents a significant threat to both the environment and human well-being, requiring effective strategies for their mitigation. Chitin serves as the precursor for chitosan, composed of two monomers featuring acetamido and amino groups. Chitosan possesses several noteworthy attributes, including its ability to bind water and fat, humidity content, solubility, consistent molecular weight, and various...
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XRD patterns of TeOx-BaO-BiO powder
Open Research DataThe DataSet contains the XRD patterns of the TeOx-BaO-BiO powder. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor), barium carbonate, and bismuth carbonate with thetraetylene glycol, water, ethanol, and acetic acid. (Samples molar concentration: 73TeO2-4BaO-3Bi2O3 and 73TeO2-3BaO-4Bi2O3)....
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Influence of the air phase on water flow in dikes
PublicationNumerical models are often used to describe flow and deformation processes occurring in dikes during flood events. Modeling of such phenomena is a challenging task, due to the complexity of the system, consisting of three material phases: soil skeleton, pore water and pore air. Additional difficulties are transient loading caused by variable in time water levels, heterogeneity of the soil or air...
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Influence of iron content on water uptake and charge transport in BaCe0.6Zr0.2Y0.2−xFexO3−δ triple-conducting oxides
PublicationIn this work, we studied the BaCe0.6Zr0.2Y0.2−xFexO3−δ system which belongs to the triple-conducting oxides (TCOs) group. The electrochemical properties of BaCe0.6Zr0.2Y0.2−xFexO3−δ were investigated using electrochemical impedance spectroscopy (EIS) and the water uptake was analyzed using thermogravimetry (TG). All investigated materials exhibited water uptake, with proton concentration increasing with decreasing iron content....
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Bio‐polyols synthesized by liquefaction of cellulose: Influence of liquefaction solvent molecular weight
PublicationCurrently, the plastics industry including polyurethanes is based on the use of petrochemicals. For this reason, scientists are looking for new types of renewable resources for the substitution of petrochemical substances. This work aims to evaluate the effect of polyethylene glycols (PEG) with different molecular mass impact on properties of bio-based polyols synthesized via biomass liquefaction of cellulose. To date, research...
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Perspectives on the replacement of harmful organic solvents in analytical methodologies: a framework toward the implementation of a generation of eco-friendly alternatives
PublicationVolatile organic solvents derived from non-renewable fossil feedstocks are commonplace in analytical laboratories. In spite of their convenient performance in countless unit operations, their environmental, health and safety issues represent a major area of concern. The progressive replacement of organic solvents obtained from fossil resources by eco-friendly alternatives would involve remarkable advances within the framework of...
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Modification of Rapana thomasiana hemocyanin with choline amino acid salts significantly enhances its antiproliferative activity against MCF-7 human breast cancer cells
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Introduction of non-natural amino acid residues into the substrate-specific P1 position of trypsin inhibitor SFTI-1 yields potent chymotrypsin and cathepsin G inhibitors
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LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
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Dissociation pathways of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n=4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Performance of the flat plate solar collector operated with water-Al2O3 nanofluid
PublicationThe paper discusses the effect of application of water-Al2O3 nanofluid, as a working fluid, on the efficiency of a flat plate solar collector. The mass concentration of nanoparticles was 0.1%, 0.2% and 0.4%. The tests were conducted for two values of radiation of about 1050 W/m2 and 400 W/m2, and volume flow rates of 60 l/h, 120 l/h and 170 l/h. The efficiency was calculated according to recommendations of the Polish Standard....
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Dissociative electron attachment to benzoic acid (C7H6O2)
PublicationThe dissociative electron attachment (DEA) to benzoic acid (C6H5COOH) has been studied using an experimental crossed beam setup of a quadrupole mass spectrometer and a trochoidal electron monochromator. Relative partial cross sections for the DEA to produce negative ion fragments show the main channels for dissociation. The comparison of the present results with the ultraviolet photoelectron spectrum of benzoic acid [J. Meeks,...
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Determination of Selected Organic Acids in Animal Farm Water Samples by Ion Chromatography
PublicationLow molecular mass carboxylic acids (LCAs) occur in many environmental compartments due to natural processes and human activity. They are an important group of organic pollutants of waste water that mainly includes, volatile fatty acids, and also dicarboxylic, aromatic, hydroxy- and ketoacids. LCAs are present in the environment at concentrations between 1 to 5000 ppm and different methods have been reported for their determination...
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ANTISENSE & NUCLEIC ACID DRUG DEVELOPMENT
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Current Protocols in Nucleic Acid Chemistry
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Drinking water safety evaluation in the selected sub-Saharan African countries: A case study of Madagascar, Uganda and Rwanda
PublicationIn the sub-Saharan region of Africa, access to safe drinking water remains limited in many countries. This study provides an overview of the quality of surface water and groundwater in rural and peri-urban areas of Madagascar, Uganda, and Rwanda. Selected physico-chemical parameters, inorganic species (including inorganic ions), and organic pollution indicators, such as total organic carbon, non-ionic surfactants, cationic surfactants, anionic...
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Water-mediated influence of a crowded environment on internal vibrations of a protein molecule
PublicationThe influence of crowding on the protein inner dynamics is examined by putting a single protein molecule close to one or two neighboring protein molecules. The presence of additional molecules influences the amplitudes of protein fluctuations. Also, a weak dynamical coupling of collective velocities of surface atoms of proteins separated by a layer of water is detected. The possible mechanisms of these phenomena are described....
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Two-state dynamics for replicating two-strand systems
PublicationDynamika dwustanowa została zastosowana do opisów układów dwuniciowych, analogicznych do DNA.
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The physicochemical properties of 3D materials based on hyaluronic acid modified by tannic acid addition
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Technological capability dynamics through cluster organizations
PublicationPurpose – The purpose of the paper is to portrait how members of cluster organizations (COs) perceive the role of COs in enabling them to accumulate technological capability (TC) significant for their innovation. Design/methodology/approach – The authors report the findings from their qualitative study based on an analysis of four COs. The organizational inertia and absorptive capacity (AC) theories are the theoretical underpinning...
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Runoff Water
PublicationThis entry summarizes the current state of knowledge on the role of atmospheric pollutants' transport to the surface and transformations of wet deposition on contact with various surfaces. Runoff waters are one of the forms in which precipitation reaches the groundwater and surface water. They are formed when rain or melting snow washes the surfaces of roofs, highways, agricultural areas, or tree canopies. Pollutants present in...
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Hybrid all-cellulose reinforcement in polypropylene matrix biocomposites for injection moulding - influence of particle geometry and volume fraction on hybrid effect
PublicationThe presented study is focused on evaluation of influence of reinforcement volume fraction and geometry on the occurrence of positive hybrid effect by the hybridisation of man-made cellulose fibres (rayon viscose) with cellulose microparticle fillers applied in polypropylene matrix. Four volume fractions of reinforcement were used at 1:1 combination of short man-made cellulose fibres with cellulose microfillers of different aspect...
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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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Chirality Measures of α-Amino Acids
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