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Wyniki wyszukiwania dla: APPARENT MOLAR VOLUME APPARENT MOLAR COMPRESSIBILITY MOLECULAR DYNAMICS AMINO ACID IONIC LIQUIDS MORPHOLINIUM IONIC LIQUIDS WATER
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Stochastics and Dynamics
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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"Car-Parrinello molecular dynamics" jako kluczowe narzędzie informatyczne w badaniach syntezy cienkich warstw diamentowych metodą PA CVD
PublikacjaPraca omawia zastosowanie metody Car-Parrinello MD w symulacji procesu wzrostu cienkich warstw diamentowych w metodzie PAC VD.
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Are deep eutectic solvents useful in chromatography? A short review
PublikacjaA literature update has been done concerning Deep Eutectic Solvents (DES) use in chromatography applications. The literature survey was based on the period from 2010 till 2020 and manuscripts reported in the data bases Web of Science and Scopus. The use of DES as mobile phase and mobile phase additives, stationary phases and solid phase modifiers and the use of DES as reaction solvents for chromatography use, were evaluated. Emphasis...
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Microwave-assisted preparation of potato starch silicated with silicic acid
PublikacjaApplication of microwave irradiation for the silication of granular potato starch with silicic acid, and the properties of silicated starch were investigated. Potato starch was esterified on 20 min microwave irradiation of starch with silicic acid, applying the power of 450 or 800Wand, for comparison, on 120 min convectional heating of the reagent blend at 100 ◦C. The degree of esterification and the reaction efficiency did not...
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Interpolation methods in GPR tomographic imaging of linear and volume anomalies for cultural heritage diagnostics
PublikacjaThis paper presents results of a ground penetrating radar (GPR) survey conducted in St. Joseph’s Church in Gdańsk, Poland. The aim of the study was to produce tomographic imaging of a renovated floor as well as the objects buried under the floor to detect linear and volume inclusions. The assumed track spacing was meaningfully greater than the single signal spacing in each track, which induced the need for interpolation methods...
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Beeswax And Palmitic Acid Utilization With Heat Pipes For Electronics Cooling
PublikacjaThis paper presents an experimental study of heat pipes supported by phase change materials (PCMs) coated at their adiabatic sections in application for electronics cooling. The PCMs investigated in this research were palmitic acid and beeswax, the latter being considered as a more cost-effective alternative. The study focused on three powers: 20W, 25W, and 30W. The experimental results revealed that the incorporation of palmitic...
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Utilizing pulse dynamics for non-invasive Raman spectroscopy of blood analytes
PublikacjaNon-invasive measurement methods offer great benefits in the field of medical diagnostics with molecular-specific techniques such as Raman spectroscopy which is increasingly being used for quantitative measurements of tissue biochemistry in vivo. However, some important challenges still remain for label-free optical spectroscopy to be incorporated into the clinical laboratory for routine testing. In particular, non-analyte-specific...
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New conjugates of mycophenolic acid and their antiproliferative activity
PublikacjaThe new conjugates of mycophenolic acid (MPA) were obtained in the reaction of N6-(ω-aminoalkyl)adenosines with MPA in the presence of EDCI as a coupling reagent. New compounds 4a–h were evaluated on leukemia cell line (Jurkat) and PBMC from healthy donors. Length of the linker influenced observed activity. The compound 4b possessing 1,3-diamine spacer exhibited the most promising results and can be considered to further investigations.
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Optimization of briquetting technology of fine-grained metallurgical materials based on statistical models of compressibility
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Synthesis and characterization of novel renewable polyesters based on 2,5-furandicarboxylic acid and 2,3-butanediol
PublikacjaNovel polyesters from 2,5-furandicarboxylic acid or 2,5-dimethyl-furandicarboxylate and 2,3-butanediol have been synthesized via bulk polycondensation catalyzed by titanium (IV) n-butoxide, tin (IV) ethylhexanoate, or zirconium (IV) butoxide. The polymers were analyzed by size exclusion chromatography, nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy (FTIR), matrix-assisted laser ionization-desorption...
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
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Molecular Targets for Anticandidal Chemotherapy
PublikacjaA relatively small number of anticandidal chemotherapeutics used in clinical practice is at least in part consequence of a limited number of their molecular targets: ergosterol in the membrane, lanosterol demethylase, b(1!3) glucan synthase, and DNA/RNA biosynthesis. Much more potential novel targets have been revealed by the comparative genomic studies identifying essential genes unique for Candida albicans or resulted from recognition...
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Studies on applicability of new solid-phase microextraction fibers for the selective extraction and determination of short - chain monocarboksylic acids
PublikacjaShort-chain monocarobxylic acids, sometimes referred to as volatile fatty acids (VFA), are a group of low molecular weight alkyl monocarboxylic acids that are widely distributed within the environment. These molecules contain any from 2 to 8 carbon atoms and originate from the anaerobic biodegradation of organic matter such as carbohydrates, proteins, and fats. These compounds are commonly found in the effluents from animal farming,...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublikacjaTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Thermal and mechanical properties of polyurethanes modified with L-ascorbic acid
PublikacjaIn this study we report the thermal and mechanical properties of polyurethanes modified with ascorbic acid (AA). Ascorbic acid was used as a modifier at concentration of 1 or 2 mass%. The antioxidative properties of AA may improve the biocompatibility of the obtained materials, which were designed for biomedical applications. In this paper we describe characterization of obtained unmodified and ascorbic acid modified polyurethanes...
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Ionic liquid-assisted sol-gel synthesis of Fe2O3-TiO2 for enhanced photocatalytic degradation of bisphenol a under UV illumination: Modeling and optimization using response surface methodology
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Bioaugmentation of a sequencing batch reactor with Archaea for the treatment of reject water
PublikacjaIn this study, the bioaugmentation of a sequencing batch reactor (SBR) for the treatment of reject water from wastewater treatment plant was evaluated. For the bioaugmentation step a product containing an enrichment of microorganisms from the Archaea domain was used to enhance the performance of the reactor for treating reject water. The experiment was carried out in two parallel lab-scale sequencing batch reactors. The first one...
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The surface photoconductivity in molecular layers
PublikacjaW pracy przedstawiono rezultaty analizy fotoprądów powierzchniowych w cienkich warstwach tetracenu i pentacenu. W szczególności badano wpływ obecności defektów strukturalnych w warstwach na charakterystyki fotoprądów i transport nośników ładunku.
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Inter Applied Chemistry Programme 5 Intorduction to hazard assessment of chemicals Marta Markiewicz
Kursy OnlineInter Applied Chemistry Programme 5 Intorduction to hazard assessment of chemicals Marta Markiewicz Marta Markiewicz obtained a Master’s degree in Biotechnological Engineering in 2007 from Koszalin University of Technology with the thesis focusing on recovery of native proteins from industrial waste streams using preparative ion-exchange chromatography. Subsequently she obtained a PhD in Technical Science (2012) from Gdańsk...
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Maternal smoking Modulates Fatty Acid Profile of Breast Milk
PublikacjaAIM: We hypothesized that the fatty acid composition of breast milk can be affected by a smoking habit in the mother. Consequently, this study verified whether maternal smoking modulates, and if so to what extent, the breast milk fatty acid profile. METHODS: The study included 20 postpartum women who declared smoking more than five cigarettes daily throughout a period of pregnancy and lactation, and 136 non-smoking postpartum women....
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Cytotoxic and Antioxidant Activities of Benzohydroxamic Acid Analogues
Publikacja20 benzohydroxamic acid analogues were synthesized and evaluated for their in vitro cytotoxicities against mouse mammary tumor cells as well as antioxidant activities against DPPH radical and superoxide anion. It was found that benzothiohydroxamic acids exhibit greater cytotoxicities than benzohydroxamic acids and N-isopropyl derivatives are more active than N-methyl ones. On the other hand, benzothiohydroxamic acids show more...
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Sensitive method for determination of benzoic acid in beverages and food samples using air–assisted hydrophobic deep eutectic solvent-based dispersive liquid-liquid microextraction
PublikacjaA simple, reliable and rapid air–assisted hydrophobic deep eutectic solvent-based dispersive liquid–liquid microextraction (AA-HDES-DLLME) was developed for analysis of benzoic acid in various beverages and food samples. The final determination stage was performed via UV–visible spectrophotometry. The key parameters (extraction time, HDES type and volume, dispersant volume, pH and sample volume) of the AA-HDES-DLLME method were...
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WATER ENVIRONMENT RESEARCH
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Linear and Nonlinear Optical Properties of Azobenzene Derivatives Modified with an (Amino)naphthalene Moiety
PublikacjaThe design of two-photon absorbing azobenzene (AB) derivatives has received much attention; however, the two-photon absorption (2PA) properties of bis-conjugated azobenzene systems are relatively less explored. Here, we present the synthesis of six azobenzene derivatives and three bisazobenzenes substituted (or not) at para position(s) with one or two amino group(s). Their linear and nonlinear absorption properties are studied...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular 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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Synthesis and structural characterization of novel 2-benzimidazolylthioureas: adducts of natural isothiocyanatesand 2-amino-1-methylbenzimidazole
PublikacjaNa drodze syntezy chemicznej uzyskano addukty naturalnych izotiocyjanianów - alilu, benzylu i fenyloetylu i 2-amino-1-metylobenzoimidazolu. W następstwie optymalizacji warunków reakcji, poszczególne 2-benzimidazolilotiomoczniki otrzymano produkty z umiarkowanymi wydajnościami. Strukturę molekularną i krystaliczną produktów scharakteryzowano przy użyciu metod spektroskopowych i X-ray. Analiza uzyskanych widm pozwoliła stwierdzić,...
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Physical Chemistry_GTM_20_21_winter
Kursy OnlineThe aim of the subject is to familarize the student with fundamental physico-chemical laws in chemical thermodynamics, phase equilibria and chemical equilibria together with ability of solving relevant text problems involving calculations, as well as teachnig him/her effective and safe carrying out simple experiments/measurements of physico-chemical quantities and proper presentation and interpretation of their results. LECTURES Chemical...
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Application of the Monte Carlo algorithm for solving volume integral equation in light scattering simulations
PublikacjaVarious numerical methods were proposed for analysis of the light scattering phenomenon. Important group of these methods is based on solving the volume integral equation describing the light scattering process. The popular method from this group is the discrete dipole approximation (DDA). DDA uses various numerical algorithms to solve the discretized integral equation. In the recent years, the application of the Monte Carlo (MC)...
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Crystallographic and spectroscopic studies of 5-arylidene-2-amino-imidazol-4-ones
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Power System Dynamics. Stability and Control. 3rd edition
PublikacjaComprehensive, state-of-the-art review of information on the electric power system dynamics and stability. It places the emphasis first on understanding the underlying physical principles before proceeding to more complex models and algorithms. The book explores the influence of classical sources of energy, wind farms and virtual power plants, power plants inertia and control strategy on power system stability. The book cover...
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Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublikacjaThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
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Application of Web-GIS for Dissemination and 3D Visualization of Large-Volume LiDAR Data
PublikacjaThe increasing number of digital data sources, which allow for semi-automatic collection and storage of information regarding various aspects of life has recently granted a considerable rise in popularity to the term “Big data”. As far as geospatial data is concerned, one of the major sources of Big data are Light Detection And Ranging (LiDAR) scanners, which produce high resolution three-dimensional data on a local scale. The...
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Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublikacjaA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
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First evaluation of wastewater discharge influence on marine water contamination in the vicinity of Arctowski Station (Maritime Antarctica)
PublikacjaIn Antarctica,waste is generatedmainly during scientific research programmes and related logistics. In this study, the impact ofwastewater on the western shore of Admiralty Baywas investigated during austral summer in 2017 and 2019. A range of physicochemical parameters and the presence of selected trace metals, formaldehyde and different groups of surfactants were determined in wastewater coming from Arctowski Station and in nearby coastal...
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Effect of urea and glycine betaine on the hydration sphere of model molecules for the surface features of proteins
PublikacjaWater properties may significantly affect protein stability. Osmolytes are compounds that intrinsically affect water in many different ways and thus can influence proteins with this type of indirect mechanism. In this study, we characterize water properties in ternary solutions: model–water–osmolyte, with two model molecules: N-methylacetamide (NMA) and dimethyl sulfoxide (DMSO) and two osmolytes: glycine betaine (TMG)and urea....
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The profiles and spectrum of aqua solution of tannic acid by HPLC-DAD-MS analysis.
Dane BadawczeThe profiling of tannic acid is determined by examining the content and proportion / ratio of gallotannins [Aras et al. 2016, Clifford et al. 2007, Gauri et al. 2012, Nishizawa et al. 1982]. In order to check the ion mass distribution (TIC) in an aqueous solution of commercial tannic acid, a direct sample injection (TA) was performed into the mass spectrometer....
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An Improved Synthesis of Trisodium (R)-Homocitrate from Citric Acid
PublikacjaA method of synthesis of trisodium (R)-homocitrate starting from citric acid is reported. The procedure affords the final product of high optical purity with satisfactory yield.
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Journal of Hand Surgery-European Volume
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JOURNAL OF HAND SURGERY-AMERICAN VOLUME
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Adsorption Kinetics of Acid Dye Acid Red 88 onto Magnetic Multi‐Walled Carbon Nanotubes‐Fe3C Nanocomposite
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Water Reuse - project 2022/2023
Kursy Onlinew ramach tego kursu przekazywane są informacje związane z projektem prowadzonym przez Alinę Wargin. Kierownikiem przedmiotu jest prof. Krzysztof Czerwionka. This course provides information related to the project led by Alina Wargin. The head of the subject is prof. Krzysztof Czerwionka.
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Water Reuse - project 2023/2024
Kursy Onlinew ramach tego kursu przekazywane są informacje związane z projektem prowadzonym przez Alinę Wargin. Kierownikiem przedmiotu jest prof. Krzysztof Czerwionka. This course provides information related to the project led by Alina Wargin. The head of the subject is prof. Krzysztof Czerwionka.
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Selection of material for infiltration of non-stoichiometric Sr0.95Ti0.3Fe0.7O3-δ
Dane BadawczeThe porous electrodes used for the infiltration were prepared from A-site non-stoichiometric Sr0.95Ti0.3Fe0.7O3-δ synthesized by the conventional solid state reaction method. Screen printed electrodes (0.5 cm2) on CGO-20 substrate, were fired at 800 °C for 2 hours in an air atmosphere. Infiltration of the scaffolds was performed by a water-based precursor...
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Circular saw vibrations or dynamics of the spindle
PublikacjaSawing of wood with circular saws is a typical example of cutting with multi-blade tools. In that kind of cutting, theposition accuracy of following tool blades is a crucial factor which affects the cutting process and machining final effects.Position tooth errors may cause deterioration in cutting conditions, changes in loads of individual teeth and the tool as a whole,and also a decrease in accuracy and surface quality after...
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Bio based PUR-PIR foams thermal degradation (TG) and isoconversional kinetics
Dane BadawczeIn the present work, we perform a thorough thermogravimetric (TG) analysis of the bio-based polyurethane – polyisocyanurate (PUR-PIR) foams in both nitrogen and oxygen atmosphere. A sustainable element of the foam was a biopolyol obtained via acid-catalyzed liquefaction of Zostera Marina and Enteromorpha Algae biomass. Based on isoconversional analysis...
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Identification and antimicrobial resistance of Enterococcus spp. isolated from surface water
PublikacjaIn the study species distributions and antimicrobial resistance profiles were determined among riverine Enterococcus spp. Susceptibility of the isolates was tested against: ampicillin, imipenem, teicoplanin, vancomycin, erythromycin, linezolid, fosfomycin, ciprofloxacin,levofloxacin, moxifloxacin, tetracycline, high levels of gentamicin and streptomycin. The enterococci were detected in all of the analyzed water samples, periodically...
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Bias-Dependent Dynamics of Degradation and Recovery in Perovskite Solar Cells
PublikacjaDegradation of perovskite solar cells (PSCs) is often found to be partially or fully reversible when the cells are allowed to recover in the dark. Unlike the dynamics of degradation, knowledge about the dynamics of PSC cell recovery is very limited. Here, we demonstrate that the PSC recovery strongly depends on the electrical bias conditions during the light-induced degradation and that it can be manipulated by applying an external...
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Dynamics of Field Line Mappings in Magnetic Flux Tubes
PublikacjaWe study the topological constraints on the dynamics of magnetic field lines in flux tubes. Our approach is based on the application of the topological invariant: fixed point index. We consider periodic flux tubes and find various restrictions on the field lines that come from the sequence of fixed point indices of iterations. We also analyze the case of a tube with a cylindrical obstacle, deducing some special dynamical properties...
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Towards detecting programmers’ stress on the basis of keystroke dynamics
PublikacjaThe article describes the idea of detecting stress among programmers on the basis of keystroke dynamics. An experiment with a group of students of artificial intelligence classes was performed. Two samples of keystroke data were recorded for each case, the first while programming without stress, the second under time pressure. A number of timing and frequency parameters were calculated for each sample. Then statistical analysis...