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Search results for: complaxes
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THE IPV4 TO IPV6 MIGRATION OF APPLICATIONS AND SERVICE
PublicationThis article presents the problems related to IPv4 to IPv6 migration of applications supporting network services. It summarizes the needs of executing such migration. It shows the basic problems of automating the migration process, having defined the basic terms, i.e.: a network service, a network application. It shows a sample implementation of the automation of the migration process between IP technologies for selected network...
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Guitar String Sound Retrieved from Moving Pixels
PublicationThe aim of this study was to develop a method of visual recording and analyzing the vibrations of guitar strings using high-speed cameras and dedicated video processing algorithms. The recording of a plucked string reveals the way in which the deformations propagate, composing the standing and travelling wave. The paper compares the results for a few selected models of classical and acoustic guitars, and it involves processing...
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Diagnostic Models and Estimators for LDI in Transmission Pipelines
PublicationThis article considers and compares four analytical models of the pipeline flow process for leak detection and location tasks. The synthesis of these models is briefly outlined. Next, the methodology for generating data and diagnosing pipes is described, as well as experimental settings, assumptions and implemented scenarios. Finally, the quality of model-based diagnostic estimators has been evaluated for their bias, standard deviations...
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Comparative molecular modelling of biologically active sterols
PublicationMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...
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APPLICATION OF MAGNETIC NANOPARTICLES FOR WATER TREATMENT
PublicationIn this study magnetic nanoparticles were fabricated and used for water treatment. Nanoparticles were prepared in two ways. The first one involved NiZn ferrite nanoparticles synthesized by co-precipitation of metal cations with sodium hydroxide at high temperature. The second one featured maghemite nanoparticles was prepared by saltassisted solid-state reaction. Modification and functionalization of nanoparticles surface was investigated....
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Studies on the influence of β-cyclodextrin derivatives on the physical stability of famotidine
PublicationThe usage of Fourier transform infrared spectroscopy, near infrared spectroscopy, differential scanning calorimetry and microscopy is presented in this work focused on the exploration of the effect of CD on the physical stability of famotidine (FAM). The most significant information was achieved by analysis of the second derivatives ofnear infrared (NIR) spectra recorded. Changes in the shape of spectra derivatives allow...
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Complexation of amino acids derivatives in water by calix[4]arene phosphonic acids
PublicationSeries of the calix[4]arene phosphonic acids with various substituents at the lower rim was synthesized. Complexing properties of these receptors towards methyl esters of six amino acids strongly depended on the calix[4]arene conformation flexibility. The complex formation processes were monitored using 1H NMR spectroscopy (deuterated phosphate buffer at pD 7.3, 22 oC) and association constant values were evaluated. Inherently...
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublicationThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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Fortifications of Hel Peninsula in Poland – history, preservation and contemporary adaptation.
PublicationThe Hel Peninsula fortifications are one of the largest and most interesting historic coastal fortification complexes in Poland. Built from the 1930s until demilitarisation at the end of the Cold War, they are now one of the biggest tourist attractions of the region. The article attempts to describe the history of their development, current state and selected problems related to their protection and adaptation for touristic purposes....
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Wycena środowiska w aspekcie odpowiedzialności moralnej
Publicationthe article '' the pricing of environment in the moral responsibility context" presents ethical protection of natural environment within sustainable development paradigm as well as the problem of individual, moral responsibility in the liberal civilization. it contains different opinions on the environmental ethics, compares flat and deep ecology as well as environmental and ecological economy; it characterizes methods of economic...
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Pro-Ecological Activities in Polish Financial Institutions on the Example of Selected Banks
PublicationThe character of the role that banks play in the economy provides them with an opportunity to positively affect the environment on multiple levels. The article aimed at characterizing and evaluating pro-ecological activities occurring in financial institutions in Poland. It compares pro-ecological activities undertaken by three different banks operating on the Polish market: BOŚ Bank SA, BNP Paribas Bank Polska SA and PKO Bank...
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Adaptive filtering approach to dynamic weighing: a checkweigher case study
PublicationDynamic weighing, i.e., weighing of objects in motion, with out stopping them on the weighing platform, allows one to increase the rate of operation of automatic weighing systems used in industrial production processes without compromising their accuracy. The paper extends and compares two approaches to dynamic weighing, based on system identification and variable-bandwidth filtering, respectively. Experiments, carried on a conveyor...
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Benchmarking Parallel Chess Search in Stockfish on Intel Xeon and Intel Xeon Phi Processors
PublicationThe paper presents results from benchmarking the parallel multithreaded Stockfish chess engine on selected multi- and many-core processors. It is shown how the strength of play for an n-thread version compares to 1-thread version on both Intel Xeon and latest Intel Xeon Phi x200 processors. Results such as the number of wins, losses and draws are presented and how these change for growing numbers of threads. Impact of using particular...
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New lanthanide–CB[6] coordination compounds: relationships between the crystal structure and luminescent properties
PublicationThe reaction between cucurbit[6]uril (CB[6]) and lanthanide chlorides (Eu, Sm, Tb and Tm) in acidic aqueous media led to four new structures. The compounds obtained are isostructural with general formula [Ln2(H2O)12(H2O@CB[6])]Cl6(H2O)4 (Ln = Eu3+ (1), Sm3+ (2), Tb3+ (3) and Tm3+ (4)) and crystallize in the P21/c space group. For the complexes with Eu3+, Sm3+ and Tb3+, the luminescent properties in the solid state and aqueous media...
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublicationReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...
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Selective detection of F- by chromogenic tetrazole receptor
PublicationA chromogenic anion host 4, containing two amide functionalities linked to azo dye and tetrazole rings was synthesized and its complexes with various anions were investigated. The results show that receptor 4 can recognize selectively biologically important F- ion. The binding affinity for F- was investigated by naked-eye colour change, UV-Vis and 1H NMR spectroscopy. Addition F- ion in CH3CN and DMSO to receptor 4 cause a colour...
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Optical recognition elements: macrocyclic imidazole chromoionophores entrapped in silica xerogel
PublicationMaterials containing new chromoionophores consisting of crown residue and azole moiety as partsof macrocycles were encapsulated by the sol-gel procedure in silica xerogel matrices and proposed aschemical recognition elements especially for such metal ions as Li+, Cs+ and Cu2+. Action of these recognition elements is in principle based on changes of reflectance. The recognition elements containing 21-membered chromogenic...
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Rhodotorulic Acid and its Derivatives: Synthesis, Properties, and Applications
PublicationSiderophores are low molecular weight compounds produced by microorganisms to scavenge iron in iron-deficient environments. Rhodotorulic acid, a natural hydroxamate siderophore, plays a vital role in iron acquisition for fungi and bacteria. As the simplest natural hydroxamate siderophore, it exhibits a high affinity for ferric ions, enabling it to form stable complexes that facilitate iron uptake and transport within microorganisms....
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Advances in mass spectrometry for iron speciation in plants
PublicationIron is an important nutrient essential for plants and critical for human health. The state-of-the art of methods for iron speciation in cereal grains and plant fluids is critically reviewed. Particular attention is given to the latest developments in the coupling of HPLC with the parallel ICP MS and electrospray ionization (ESI) MS/MS detection, usually QTOF MS or Q-Orbitrap MS, for the identification and quantification of iron...
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A novel chemiluminescent immunoassay based on original acridinium ester labels as better solution for diagnosis of human toxoplasmosis than conventional ELISA test
PublicationToxoplasma gondii infection is one of the most common human zoonosis. Laboratory diagnosis of this disease is mainly based on the results of serological methods detecting specific antibodies in the patient’s sera. In this study we aimed to evaluate the performance of a chemiluminescence immunoassay (CLIA) based on the use of a novel immunochemical reagent in the form of the conjugate of original acridinium label (AL) attached to...
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ANALYSIS OF WIND CONDITIONS AROUND A BUILDING DEVELOPMENT AS A PART OF ITS FORM DESIGNING PROCESS, A CASE STUDY
PublicationAerodynamic phenomena that occurs around building developments exert a significant impact on the quality of climate in cities. Environmental wind engineering is a dynamically developing field of knowledge that offers a chance to study and, in consequence, regulates the air flow around buildings and complexes of building developments. The following paper discusses the issue of wind conditions that may be experienced on pedestrian...
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Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublicationTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
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Structural Control of Photoinduced Dynamics in 4H-Imidazole- Ruthenium Dyes
PublicationThe photoinduced dynamics of a series ofterpyridine 4H-imidazole-ruthenium complexes, which constitutea new family of panchromatic dyes, is investigated. Thedynamics involves two excited states localized within the 4Himidazolesphere. Upon MLCT excitation, an excited state ispopulated, which is localized on the central part of the 4Himidazoleligand caused by its nonplanar conformation. Thepopulation of the second excited state is...
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Determination of safety indicators of the freight wagons by mobile systems
PublicationThe organization of the movement of freight trains in Ukraine is an important factor in integrating the country’s railway transport into the European system. A situation that requires a significant renewal of the freight wagon park with modern wagons to meet the freight transportation requirements has arisen. Also, a significant drawback of railway transport in Ukraine is the limitation of the speed of trains, which include freight...
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Sposoby przykładania obciążenia zmiennego na konstrukcję płytowo-słupową
PublicationW pracy przedstawiono analizę porównawczą wybranych metod zadawania obciążenia zmiennego na konstrukcje płytowo-słupową. Przeanalizowano pięć sposobów rozkładu obciążenia na płytę stropową. Wyniki momentów zginających i przemieszczeń w wybranych punktach dla analizowanych przypadków porównywano z wartościami ekstremalnymi obliczonymi na podstawie powierzchni wpływu (Wariant 1). Wykonane obliczenia pozwoliły na wskazanie zalecanej...
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Comparison of Selection Schemes in Evolutionary Method of Path Planning
PublicationThis article compares an impact of using various selection schemes on the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. In study case problem of avoiding collisions at sea is analyzed. The modelled environment includes static constraints (lands, canals, etc.) and dynamic objects (moving ships). Article analyses behaviour of selection schemes in two similar environments...
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The Impact of Micro-Sources on Voltage Distortions in a Power Grid
PublicationThe increase in the number of photovoltaic (PV) systems integrated with low voltage (LV) grids has led to a great need to analyse the impact of these systems on the quality of electricity and the reliability of its supply. This paper presents and compares the energy quality requirements imposed by various countries on photovoltaic plants. Then, based on real object tests and simulation in DIgSILENT PowerFactory, the impact has...
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CSR in Polish SMEs- from perception to infatuation. Examples of socially engaged firms from Pomeranian Region
PublicationDespite the increasing worldwide awareness of the importance of social issues in con-temporary business management, Polish small and medium-sized enterprises seem to re-main in the group of followers, certainly not leaders, of the corporate social responsibility (CSR) movement, and this despite important dissemination efforts by numerous institu-tions. The aim of this paper is to present the bumpy road to the (still incomplete)...
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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublicationC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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Chemical composition, antioxidant and anticancer effects of the seeds and leaves and indigo (polygonum tinctorium Ait.) Plant
PublicationSeeds and leaves of indigo (Polygonum tinctorium Ait.) plant were investigated and compared with another medicinal plant named prolipid for their properties such as chemical composition, antioxidant, and anticancer effects by Fourier transform infrared, three-dimensional fluorescence spectroscopy, and electrospray ionization-MS in negative mode. It was found that polyphenols, flavonoids, and flavanols were significantly higher...
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The Effect of Sterols on Amphotericin B Self-Aggregation in a Lipid Bilayer as Revealed by Free Energy Simulations
PublicationAmphotericin B (AmB) is an effective but toxic antifungal drug, known to increase the permeability of the cell membrane, presumably by assembling into transmembrane pores in a sterol-dependent manner. The aggregation of AmB molecules in a phospholipid bilayer is, thus, crucial for the drug’s activity. To provide an insight into the molecular nature of this process, here, we report an atomistic molecular dynamics simulation study...
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Preparation of Allyl Alcohol Oligomers Using Dipicolinate Oxovanadium(IV) Coordination Compound
PublicationCurrently, new precatalysts for olefin oligomerization are being sought in the group of vanadium(IV) complexes. Thus, the aim of our research was to examine the catalytic activity of the oxovanadium(IV) dipicolinate complex [VO(dipic)(H2O)2] 2 H2O (dipic = pyridine-2,6-dicarboxylate anion) in 2-propen-1-ol oligomerization as well as to characterize oligomerization products using matrix-assisted laser desorption/ionization–time-of-flight...
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PREDICTING CORPORATE BANKRUPTCIES IN POLAND AND LITHUANIA – COMPARATIVE ANALYSIS
PublicationThe research on predicting bankruptcies of enterprises constitutes one of the most important areas of financial management. In developed countries, the first publications on the subject appeared in the early 20th century. The situation is different in the countries of Eastern Europe, which introduced the market system already at the beginning of the 1990s, which resulted in first corporate bankruptcies. The article...
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Addressing the Weaknesses of Multi-Criteria Decision-Making Methods using Python
PublicationThe book aims to draw attention to the weaknesses in Multi-Criteria Decision-Making (MCDM) methods and provide insights to improve the decision-making process. By addressing these weaknesses, it seeks to enhance the accuracy and effectiveness of MCDM methods in selecting the best alternatives in various fields. The book covers popular MCDM methods such as TOPSIS, ELECTRE, VIKOR, and PROMETHEE. It compares traditional methods with...
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Analytical eco-scale for assessing the greenness of analytical procedures
PublicationWe propose the analytical eco-scale as a novel comprehensive approach to evaluating the greenness of analytical methodology. It is based on assigning penalty points to parameters of an analytical process that are not in agreement with the ideal green analysis. This approach compares different parameters and different steps of the analytical process. Traditional green chemistry metrics 9e.g. Atom Economy, E-factor and Reaction Mass...
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Standards Conformity Framework in comparison with contemporary methods supporting standards application
PublicationAchieving and assessing conformity with standards and compliance with various sets of requirements generates significant costs for contemporary economies. Great deal of this is spent on fulfilment of safety and security requirements. However, standards application is not supported sufficiently by the tools available on the market. Therefore, Standards Conformity Framework (SCF) containing methods and tools which provide support...
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Classification of Music Genres by Means of Listening Tests and Decision Algorithms
PublicationThe paper compares the results of audio excerpt assignment to a music genre obtained in listening tests and classification by means of decision algorithms. A short review on music description employing music styles and genres is given. Then, assumptions of listening tests to be carried out along with an online survey for assigning audio samples to selected music genres are presented. A framework for music parametrization is created...
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Wind Conditions in Urban Layout – Numerical and Experimental Research
PublicationThis paper presents research which compares the numerical and the experimental results for different cases of airflow around a few urban layouts. The study is concerned mostly with the analysis of parameters, such as pressure and velocity fields, which are essential in the building industry. Numerical simulations have been performed by the commercial software Fluent, with the use of a few different turbulence models, including...
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Drug-resistant and hospital-associated Enterococcus faecium from wastewater, riverine estuary and anthropogenically impacted marine catchment basin.
PublicationEnterococci, ubiquitous colonizers of humans and other animals, play an increasingly important role in health-care associated infections (HAIs). Acquisition of resistance determinants not only seriously limits available therapeutic options but also increases available gene pool for other species. It is believed that the recent evolution of two clinically relevant species, Enterococcus faecalis and Enterococcus faecium occurred...
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Distribution and removal efficiency of heavy metals in two constructed wetlands treating landfill leachate
PublicationThe results of heavy metals (Fe, Mn, Zn, Ni, Cu, Cr, Pb, Cd) removal and partitioning between aqueous and solid phases at two wetlands (TWs) treating municipal landfill leachates are presented. One of the TWs is a surface flow facility consisting of 10 ponds. The other TW is a newly constructed pilot-scale facility consisting of three beds with alternately vertical and horizontal sub-surface flow. The metals concentrations were...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublicationThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublicationInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Quantitative fluorescent determination of DNA – Ochratoxin a interactions supported by nitrogen-vacancy rich nanodiamonds
PublicationOchratoxin A (OTA) is a hazardous contaminant of a large variety of plant and animal originated food. Herein, we report an interaction of OTA with calf thymus DNA (ct DNA) on the nanodiamond surface. We employed multispectroscopic techniques to elucidate the binding mechanism of OTA with ct DNA. The fluorescence and UV–Vis spectroscopy results show that OTA binds to ds ct DNA and forms complexes. We obtained the binding constants...
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Anomalous Behavior of Hyaluronan Crosslinking Due to the Presence of Excess Phospholipids in the Articular Cartilage System of Osteoarthritis
PublicationLubrication of articular cartilage is a complex multiscale phenomenon in synovial joint organ systems. In these systems, synovial fluid properties result from synergistic interactions between a variety of molecular constituent. Two molecular classes in particular are of importance in understanding lubrication mechanisms: hyaluronic acid and phospholipids. The purpose of this study is to evaluate interactions between hyaluronic acid...
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A Rapid and Simple Method for Screening Microorganisms with a Potential for Catechol Biodegradation
PublicationCatechol is a highly toxic compound that is also a key intermediate in biodegradation pathways of various aromatic compounds. In this paper, a new screening method for isolation of microorganisms with the potential for catechol biodegradation is reported. The method described is based on the ability of catechol to form a color complex with Fe3+ ions. For this purpose, basal medium that is widely used for classification of microorganisms...
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Comparison of different types of electronic nose instruments for evaluation of odour nuisance from landfill
PublicationThe paper presents and compares the results of investigation on classification of atmospheric air samples collected in a vicinity of municipal landfill with respect to their odour nuisance. The research was conducted using a prototype of electronic nose instrument and a commercial electronic nose of Fast/Flash GC type – HERACLES II. The prototype was equipped with six semiconductor sensors of TGS type. Classification of the air...
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublicationUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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Laboratory bioreactor with pH control system for investigations of hydrogen production in the dark fermentation process
PublicationThe work presents the construction of a low-cost research bioreactor equipped with a pH control sys-tem. The developed bioreactor was applied for hydrogen production in the dark fermentation process using Enterobacter aerogenes ATCC 13048. Presented paper compares the results obtained during the process without and with pH regulation for different feed materials: glucose, energetic poplar hydro-lysates, acid whey and glycerol....
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On optimal tracking of rapidly varying telecommunication channels
PublicationWhen parameters of mobile telecommunication channels change rapidly, classical adaptive filters, such as exponentially weighted least squares algorithms or gradient algorithms, fail to estimate them with sufficient accuracy. In cases like this, one can use identification methods based on explicit models of parameter changes such as the method of basis functions (BF). When prior knowledge about parameter changes is available the...