Search results for: complaxes
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Projekt optymalnego łuku poziomego jako element nauczania kształtowania układów geometrycznych toru
PublicationAspekt geometryczny stanowi ważny element w nauczaniu projektowania dróg szynowych na studiach 1-go i 2-go stopnia na Wydziale Inżynierii Lądowej i Środowiska Politechniki Gdańskiej. Podstawowym, najczęściej spotykanym w praktyce elementem linii kolejowej w planie jest łuk poziomy z krzywymi przejściowymi. Z tego względu na Wydziale Inżynierii Lądowej i Środowiska Politechniki Gdańskiej wdrożono ćwiczenie projektowe ujmujące to...
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On Surface Kinetic Constitutive Relations
PublicationIn the framework of the strain gradient surface elasticity we discuss a consistent form of surface kinetic energy. This kinetic constitutive equation completes the statement of initial–boundary value problems. The proposed surface kinetic energy density is the most general function consistent with the constitutive relations in bulk. As the surface strain energy depends on the surface deformation gradient and its gradient, the kinetic...
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Polyethylene glycol-coated solid-phase microextraction fibres for the extraction of polar analytes-A review
PublicationThe article discusses the merits and limitations of commercially available solid-phase microextraction (SPME) fibres and compares them with the new type of extraction coatings, in particular those containing polyethylene glycol as sorbent, as well as the methods of the preparation of the latter. It also analyses their possible application for the extraction of a broad spectrum of analytes, with particular emphasis on the sampling...
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Salicylaldimine-based receptor as a material for iron(III) selective optical sensing
Publicationα,α-Bis(salicylimino)-m-xylene (L) was prepared using both conventional and microwave-assisted procedure. The compound exhibits ability to colorimetric recognition of iron(III) ions in aqueous environment, what is shown by significant color change from yellow to purple. In DMSO : water (9:1 v/v) solvent system receptor creates with iron(III) cations complexes of 2:1 stoichiometry (L:Fe3+) with stability constant (log K) 7.54±0.21....
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublicationShelterin is a six-protein complex (TRF1, TRF2, POT1, RAP1, TIN2, and TPP1) that also functions in smaller subsets in regulation and protection of human telomeres. Two closely related proteins, TRF1 and TRF2, make high-affinity contact directly with double-stranded telomeric DNA and serve as a molecular platform. Protein TIN2 binds to TRF1 and TRF2 dimer-forming domains, whereas Apollo makes interaction only with TRF2. To elucidate...
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Reactions of (Ph)tBuP-P(SiMe3)Li·3THF with [(PNP)TiCl2] and [MeNacNacTiCl2·THF]. Synthesis of first PNP titanium(IV) complex with phosphanylphosphinidene ligand [(PNP)Ti(Cl){η2-P-P(Ph)tBu}]
PublicationLithium derivative of diphosphane (Ph)tBuP-P(SiMe3)Li (1) was isolated for the first time and investigated in reactions with β-diketiminate (MeNacnac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2C6H3) and PNP-pincer (PNP = N[2-PiPr2-4-methylphenyl]2) Ti(III) complexes. The β-diketiminate titanium(III) complex containing phosphanylphosphido ligand [MeNacNacTi(Cl){η2-P(SiMe3)-P(Ph)tBu}] (2) was prepared in reaction of [MeNacNacTiCl2·THF]...
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Ion recognition properties of new pyridine-2,6-dicarboxamide bearing propeller-like pendant residues: multi-spectroscopic approach
PublicationThe synthesis and ion binding properties of new amide derived from propeller-like tris(2-pyridyl)amine and 2,6-pyridinedicarboxylic acid chloride were described. Amide binds divalent metal cations: copper(II), nickel(II), zinc(II), and lead(II) in acetonitrile. In acetonitrile:water mixture (9:1 v/v) amide interacts only with copper(II) and nickel(II) cations forming complexes of 1:1 stoichiometry. It was found that the introduction...
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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 (RA), a natural hydroxamate siderophore, plays a vital role in iron acquisition for fungi and bacteria. As the simplest natural hydroxamate siderophore, RA 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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Comparison of thresholding algorithms for automatic overhead line detection procedure
PublicationThe article presents an overview of the thresholding algorithms. It compares the algorithms proposed by Pun, Kittler, Niblack, Huang, Rosenfeld, Remesh, Lloyd, Riddler, Otsu, Yanni, Kapur and Jawahar. Additionally, it was tested how the tuning of the Pun, Jawahar and Niblack methods affects the thresholding efficiency and proposed a combination of the Pun algorithm with a priori algorithm. All presented algorithms have been implemented...
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Parallel tabu search for graph coloring problem
PublicationTabu search is a simple, yet powerful meta-heuristic based on local search that has been often used to solve combinatorial optimization problems like the graph coloring problem. This paper presents current taxonomy of patallel tabu search algorithms and compares three parallelization techniques applied to Tabucol, a sequential TS algorithm for graph coloring. The experimental results are based on graphs available from the DIMACS...
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Synthetic Principles Determining Local Organization of Copolyesters Prepared from Lactones and Macrolactones
PublicationA highly effective and facile technique for catalytic ring-opening copolymerization (cROP) of lactones viz. ε- caprolactone and ε-decalactone with ω-pentadecalactone is being described. The reactions were mediated by Zn- and Cabased tridentate Schiff base complexes and benzyl alcohol as initiator. The catalysts were successfully employed for the preparation of numerous block and random copolymers. To unravel the composition of...
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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublicationThe influence of ligand protonation on the photophysics of a ruthenium (Ru) dyad bearing the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline (ippy) ligand was investigated by time-resolved transient absorption spectroscopy. It was found that changes in the protonation state of the imidazole group led to changes in the electronic configuration of the lowest lying excited state. Formation of the fully deprotonated imidazole...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Integrated spatial and energy planning – importance of a problem for contemporary architects and urban planners with focus on environmental factors
PublicationAlong with respecting basic sustainable development goals, planners will also be obliged to meet more stringent provisions related to energy efficiency in the coming years. In Poland, a crucial year will be 2021, when the EU directive on the energy efficiency of buildings comes into force. In this matter, not only the characteristics of individual objects are of great importance, but their whole complexes and the overall approach...
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Stereoscopy in Graphics APIs for CAVE Applications
PublicationThe paper compares the advantages and disadvantages of a variety of Graphics Application Programming Interfaces (APIs) from the perspective of obtaining stereoscopy in applications written for a CAVE virtual reality environment. A number of problems have been diagnosed and an attempt has been made to solve them using OpenGL, DirectX 11 and 12, Vulkan, as well as the Unity Engine which can internally use DirectX, OpenGL and Vulkan,...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublicationIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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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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The effect of interview location on the perception of Ecosystem Services provided by trees. A Polish case study.
Open Research DataSeveral survey research methods are available to study attitudes towards the environment, including: CAWI (computer-assisted Internet interview), CATI (computer-assisted telephone interview), CAPI (computer-assisted personal interview), and PAPI (paper-pencil interview). An increasingly popular CAWI approach is the geo-questionnaire – an internet survey...
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Janusz Rachoń prof. dr hab. inż.
PeopleSprawował urząd rektora w latach 2002-2008 Urodził się 11 sierpnia 1946 r. w Nowym Sączu. Studia wyższe ukończył w 1969 r. na Wydziale Chemicznym Politechniki Gdańskiej, uzyskując tytuł magistra inżyniera chemika. W 1969 r. rozpoczął pracę na Wydziale Chemicznym Politechniki Gdańskiej, na którym uzyskał w 1975 r. doktorat, a w 1985 r. habilitację. Na stanowisko docenta został powołany w 1989 r., na stanowisko profesora nadzwyczajnego...
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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...