Filters
total: 1921
-
Catalog
displaying 1000 best results Help
Search results for: IMPLICIT SOLVENT
-
A first-principles study of electron attachment to the fully hydrated bromonucleobases
PublicationDegradation mechanism of four brominated nucleobases (BrX), potential DNA radiosensitizers, is studied in explicit water solution, using ab initio molecular dynamics. Several fs long dynamics is needed to localize an electron on the nucleobase. Produced by electron attachment BrX anion radical degrades through the bromide anion abstraction, barrier-free (purines) or with low barrier (pyrimidines), to a reactive nucleobase radical....
-
Perspektywy wykorzystania olfaktometrii i elektronicznego nosa w badaniach stanu środowiska
PublicationIn environmental state investigations the two approaches are dominate: field olfactometry and instrumental methods. In contradiction to classical chromatographic methods, both field olfactometry and electronic nose (e-nose) in based on the analysis of the aroma as a whole, without separating gaseous mixture (air) to individual aromatic compounds. With respect to simplicity of use and relatively short time of analysis, both systems...
-
Numerical modal analysis of a vertical rising steel water gate
PublicationVertical rising steel water gates are very common not only in Poland and Germany but also in other countries of the world. Their popularity is mainly attributed to their simplicity of construction, which makes their production process cheaper and faster when compared to other solutions. The aim of this paper is to conduct a numerical modal analysis to examine the eigenvalues and eigenmodes of a vertical rising steel gate. Two cases...
-
Universal construction of genuinely entangled subspaces of any size
PublicationWe put forward a simple construction of genuinely entangled subspaces – subspaces supporting only genuinely multipartite entangled states – of any permissible dimensionality for any number of parties and local dimensions. The method uses nonorthogonal product bases, which are built from totally nonsingular matrices with a certain structure. We give an explicit basis for the constructed subspaces. An immediate consequence of our...
-
On stress singularity near the tip of a crack with surface stresses
PublicationIn the framework of the simplified linear Gurtin–Murdoch surface elasticity we discuss a singularity of stresses and displacements in the vicinity of a mode III crack. We show that inhomogeneity in surface elastic properties may significantly affect the solution and to change the order of singularity. We also demonstrate that implicitly or explicitly assumed symmetry of the problem may also lead to changes in solutions. Considering...
-
Pathological brain network activity: memory impairment in epilepsy
PublicationOur thinking, memory and cognition in general, relies upon precisely timed interactions among neurons forming brain networks that support cognitive processes. The surgical evaluation of drug-resistant epilepsy using intracranial electrodes provides a unique opportunity to record directly from human brain and to investigate the coordinated activity of cognitive networks. In this issue of Neurology®, Kleen and colleagues1 implicate...
-
Chemometrics and Statistics | Multicriteria Decision Making
PublicationThis contribution describes the application of Multicriteria Decision Making tools in analytical chemistry. The general scheme of MCDM is presented to show its general steps. The most frequently applied in analytical sciences MCDM techniques – AHP, ELECTRE, PROMETHEE and TOPSIS – are briefly described and their advantages and disadvantages are discussed. The applications in analytical chemistry are selection of an appropriate...
-
Designing drainage systems – possible application of advanced calculations and hydrodynamical modeling
PublicationNowadays we can observe a faster development of drainage systems than ever. This gives us an opportunity to de- sign more efficient systems that can cope with the rapid growth of cities and, what comes with it, impervious surfaces. Here the question arises, whether traditional methods used in drainage system design are potent enough to cope with the emerging prob- lems and difficulties. In this paper we will make...
-
OBTAINING FLUID FLOW PATTERN FOR TURBINE STAGE WITH NEURAL MODEL.
PublicationIn the paper possibility of applying neural model to obtaining patterns of proper operation for fluid flow in turbine stage for fluid-flow diagnostics is discussed. Main differences between Computational Fluid Dynamics (CFD) solvers and neural model is given, also limitations and advantages of both are considered. Time of calculations of both methods was given, also possibilities of shortening that time with preserving the accuracy...
-
Cichy sonar - stan aktualny i perspektywy
PublicationW zastosowaniach militarnych często istnieje potrzeba prowadzenia obserwacji w sposób skryty za pomocą urządzeń emitujących sygnały trudne do przechwycenia przez przeciwnika. Rozwiązania stosowane w cichych radarach stanowiły punkt wyjścia do opracowania cichego sonaru. Prace nad projektem rozpoczęto na Politechnice Gdańskiej w roku 2010 w ramach Grantu NCBiR i są one dalej kontynuowane. W celu zachowania w cichym sonarze warunków...
-
Experience based knowledge representation for Internet of Things and Cyber Physical Systems with case studies
PublicationCyber Physical Systems and Internet of Things have grown significant attention from industry and academia during the past decade. The main reason behind this interest is the capabilities of such technologies to revolutionize human life since they appear as seamlessly integrating classical networks, networked objects and people to create more efficient environments. However, enhancing these technologies with intelligent skills becomes...
-
Synthesis of coupled lossy resonator filters.
PublicationA technique for fast synthesis of coupling matrix low-pass prototypes of generalized. Chebyshev bandpass filters with lossy resonators is presented in this letter. The coupling matrix is found by solving a nonlinear least squares problem based on zeros and poles of filter's transfer functions.
-
Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublicationFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
-
The need for linear revitalization. Gdynia case
PublicationThe aim of the article is to discuss the need of defining and implementation of the linear revitalization - the new approach related to the revitalization processes. The results of the preliminary investigations indicate that this kind of revitalization seems to be an important tool supporting city management and planning, especially in cases of cities fragmentation - causing lack of physical, social, economic and ecological cohesion....
-
Decision support system for design of long distance heat transportation system
PublicationDistrict Heating (DH) systems are commonly supplied using local heat sources. Nowadays, modern insulation materials allow for effective and economically viable heat transportation over long distances (over 20 km). The paper proposes a Decision Support System (DSS) for optimized selection of design and operating parameters of a long distance Heat Transportation System (HTS). The method allows for evaluation of feasibility and effectiveness...
-
MODELOWANIE TURBINY WIATROWEJ Z DWOMA PRZECIWBIEŻNIE OBRACAJĄCYMI SIĘ WIRNIKAMI
PublicationW artykule przedstawiono sposoby modelowania dwuwirnikowej turbiny wiatrowej z wykorzystaniem technik Obliczeniowej Mechaniki Płynów. Omówiono uproszczone metody modelowania Actuator Disc i Actuator Line Method oraz aspekty związane z dokładnym odwzorowaniem turbiny na siatce obliczeniowej. Zaprezentowano przykładowe wyniki obliczeń turbiny dwuwirnikowej złożonej z wirników NREL o mocy nominalnej 5 MW każdy. Do wykonania badań...
-
Calculation of motion trajectory and geometric parameters of the trawl during pelagic fishing
PublicationThis paper presents a mathematical model of the mass centre motion trajectory of the trawl, its main geometrical parameters, way of solving the model as well as its example results. It could be useful to define optimum parameters of safe, effective and environmentally friendly pelagic fishing.
-
Discrete Green's function approach to disjoint domain simulations in 3D FDTD method
PublicationA discrete Green’s function (DGF) approach to couple 3D FDTD subdomains is developed. The total-field/scattered-field subdomains are simulated using the explicit FDTD method whilst interaction between them is computed as a convolution of the DGF with equivalent current sources measured over Huygens surfaces. In the developed method, the DGF waveforms are truncated using the Hann’s window. The error varies in the range -65 to -40...
-
Two-dimensional hydrogen-like atom in a weak magnetic field
PublicationWe consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr¨odinger perturbation theory, using the Sturmian expansion of the generalized radial Coulomb Green function, we derive explicit analytical expressions for corrections to an arbitrary planar hydrogenic bound-state energy level, up to the fourth...
-
Noise effect on parameters of quiet sonar with code modulation
PublicationEarlier publications of the paper authors have shown that the use of code keying mixed with the CW FM sound signal allows the significant reduction in the distance measurement error, compared to classic silent CW FM sonar. In addition to the code modulation parameters, the magnitude of this error is influenced by the received input acoustic noise. The article shows the dependence of the input signal-to-noise ratio and the sound...
-
Successive Iterative Method for Higher-Order Fractional Differential Equations Involving Stieltjes Integral Boundary Conditions
PublicationIn this paper, the existence of positive solutions to fractional differential equations with delayed arguments and Stieltjes integral boundary conditions is discussed. The convergence of successive iterative method of solving such problems is investigated. This allows us to improve some recent works. Some numerical examples illustrate the results.
-
Synthesis and properties of new 'N,'N-phenyltetrazole podand
PublicationThe synthesis of a new chromogenic N,N-phenyltetrazole receptor is reported here. The cationbinding properties of this receptor in solution were investigated by naked-eye colour change, electrochemical methods and UV-Vis spectroscopy in various solvents (CH3CN, dimethylsulphoxide (DMSO), DMSO/H2O, CH3CN/H2O and CH3CN/MeOH). In addition, the receptor was used as a sensing material in ion-selective membrane electrodes. The selectivity...
-
TMSCL as a rate accelerating additive in acylations of amines with 5-(α- amino-α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
-
Application of additional factors supporting the microextraction process
PublicationDue to the fact that green analytical chemistry is of high importance, the past two decades have witnessed a rapid growth in the sample preparation area with special emphasis on simplification, miniaturization and automation of extraction procedures. In addition, to accelerate the extraction processes and to improve the separation of analytes, several enhanced parameters are applied. These factors include, ultrasounds, microwaves,...
-
Determination of thiocyanate as a biomarker of tobacco smoke constituents in selected biological materials of human origin
Publicationn order to protect human health, it is necessary to biomonitor toxic substances originating from tobacco smoke in biological materials sampled from persons with different exposures to tobacco smoke constituents. Thiocyanate anion is a biomarker of exposure to tobacco smoke components which is characterized by a relatively long half‐life in the human body, i.e. 6 days. In this work, we present the results of thiocyanate determinations...
-
Determination of volatile organic compounds using solventless sample preparation techniques and gas chromatography
PublicationIn this paper the latest advances in the determination of volatile organic compounds using solvent-free extraction techniques in the sample preparation step are presented. A paper is focus mainly on one of the most popular sample preparation technique: solid-phase microextraction technique (SPME) combined with different detection systems and its applications to sampling of VOCs from the samples with different matrices. This paper...
-
Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
-
Tmscl as a rate accelerating additive in acylations of amines with 5-(α-amino- α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
-
Few-Layer Black Phosphorus/Chitosan Nanocomposite Electrodes via Controlled Electrodeposition for Enhanced Electrochemical Kinetic Performance
PublicationThis study presents the preparation and characterization of few-layer black phosphorus (FLBP) chitosan electrodes by controlled electrochemical deposition of chitosan nanoparticles on FLBP-modified glassy carbon electrodes. FLBP was prepared by solvent-assisted exfoliation of bulk BP and was further modified with chitosan forming together a nanocomposite, including easy cross-linking with nanomaterials and film-forming properties....
-
Grafting and reactive extrusion technologies for compatibilization of ground tyre rubber composites: Compounding, properties, and applications
PublicationChemical modification of ground tyre rubber (GTR) to compatibilize it with the matrix is a well-known approach. Based on our recent review of the surface etching methods used in GTR modification, the purpose of the current work is to take a deeper look into more advanced methods such as grafting and reactive extrusion. While grafting is more efficient in achieving compatibility, however, it usually involves multi-step synthesis...
-
Novel amides of mycophenolic acid and some heterocyclic derivatives as immunosuppressive agents
PublicationThe group of new amide derivatives of mycophenolic acid (MPA) and selected heterocyclic amines was synthesised as potential immunosuppressive agents functioning as inosine-5'-monophosphate dehydrogenase (IMPDH) uncompetitive inhibitors. The synthesis employed uronium-type activating system (TBTU/HOBt/DIPEA) while or phosphonic acid anhydride method (T3P/Py) facilitating amides to be obtained in moderate to excellent yields without...
-
<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
-
New procedure for the examination of the degradation of volatile organonitrogen compounds during the treatment of industrial effluents
PublicationWe present a new procedure for the determination of 32 volatile organonitrogen compounds in samples of industrial effluents with a complex matrix. The procedure, based on dispersive liquid–liquid microex-traction followed by gas chromatography with nitrogen-phosphorus and mass spectrometric detection, wasoptimized and validated. Optimization of the extraction included the type of extraction and disperser sol-vent, disperser solvent...
-
Redox property switching in MOFs with open metal sites for improved catalytic hydrogenation performance
PublicationIn this study, a decompression-thermalization strategy was utilized for a Cu-containing metal-organic framework (MOF) to tune its redox and catalytic hydrogenation properties. Remarkably, at just 120 °C, open metal sites (OMSs) were successfully constructed by removing coordinated solvent molecules to generate the daughter MOF-120. The tailored redox property of MOF-120 is correlated with the presence of OMSs. Compared with the...
-
The hydration properties of protein stabilizer, trimethylamine-N-oxide in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 and 308.15 K
PublicationApparent molar volumes and apparent molar isentropic compressions of the protein stabilizer, trimethylamine-N-oxide (TMAO) were determined from the densities and speed of sound measured at T = (288.15, 298.15 and 308.15) K in aqueous solutions of N-methylacetamide (NMA) at four different concentrations (2, 4, 6 and 8 mol/kg). The concentration dependencies of the calculated quantities extrapolated to the infinite dilution lead...
-
Synthesis of Phosphonated Carbon Nanotubes: New Insight into Carbon Nanotubes Functionalization
PublicationCarbon nanotubes were successfully functionalized for the first time in a free radical phosphonylation reaction. Three synthetic protocols were proposed. Carbon nanotubes and diethylphosphite reacted in the presence of known radical initiator, such as azobisisobutyronitrile, single electron oxidant—Mn(OAc)3, or under UV radiation. The functionalized material was fully characterized by means of spectroscopic methods, together with...
-
Forecasting Poland`s road deaths. W: [CD-ROM]. Zbornik referatov. V. Medna- rodna Konferenca Globalna Varnost. V. International Conference Global Safe- ty. Portoroz, od 6. do 9 oktobra 2002, Slovenija. [B.m.]: ZVD, Slovene Road Safety Council**2002 [7 s. 5 rys. bibliogr. 8 poz.] Prognozowanie liczby zabitych w ruchu drogowym w Polsce.
PublicationW referacie przedstawiono sytuację w zakresie bezpieczeństwa ruchu drogowegow Polsce oraz metodykę tworzenia długoterminowych prognoz rozwoju ryzyka w ruchu drogowym na przykładzie prognozy dla potrzeb Krajowego Programu Bez-pieczeństwa Ruchu drogowego GAMBIT 2000.
-
Recent Advances in Accelerated Multi-Objective Design of High-Frequency Structures using Knowledge-Based Constrained Modeling Approach
PublicationDesign automation, including reliable optimization of engineering systems, is of paramount importance for both academia and industry. This includes the design of high-frequency structures (antennas, microwave circuits, integrated photonic components), where the appropriate adjustment of geometry and material parameters is crucial to meet stringent performance requirements dictated by practical applications. Realistic design has...
-
Cognitive memory for intelligent systems of decision-making, based on human psychology
PublicationA model of memory, which allows to expand the functionality of autonomous decision-making systems for robotic and human-system-interface purposes, is discussed. The model provides functions and features which make the prospective robotic and interfacing systems more human-like as well as more efficient in solving interactive issues.
-
Cognitive memory for intelligent systems of decision-making, based on human psychology
PublicationA model of memory, which allows to expand the functionality of autonomous decision-making systems for robotic and human-system-interface purposes, is discussed. The model provides functions and features which make the prospective robotic and interfacing systems more human-like as well as more efficient in solving interactive issues.
-
Numerical solutions for large deformation problems in geotechnical engineering
PublicationThe problem of large deformations often occurs in geotechnical engineering. Numerical modeling of such issues is usually complex and tricky. The chosen solution has to implicate soil-soil and soil-structure interactions. In this paper, a review of the most popular numerical methods for large deformation problems is presented. The Coupled Eulerian-Lagrangian (CEL) method, the Arbitrary Lagrangian-Eulerian (ALE) method, the Smoothed...
-
Some variations of perfect graphs
PublicationWe consider (ψk−γk−1)-perfect graphs, i.e., graphs G for which ψk(H) =γk−1(H) for any induced subgraph H of G, where ψk and γk−1 are the k -path vertex cover number and the distance (k−1)-domination number, respectively. We study (ψk−γk−1)-perfect paths, cycles and complete graphs for k≥2. Moreover, we provide a complete characterisation of (ψ2−γ1)-perfect graphs describing the set of its forbidden induced subgraphs and providing...
-
An absorbing set for the Chialvo map
PublicationThe classical Chialvo model, introduced in 1995, is one of the most important models that describe single neuron dynamics. In order to conduct effective numerical analysis of this model, it is necessary to obtain a rigorous estimate for the maximal bounded invariant set. We discuss this problem, and we correct and improve the results obtained by Courbage and Nekorkin (2010). In particular, we provide an explicit formula for an...
-
Optical method supported by machine learning for urinary tract infection detection and urosepsis risk assessment
PublicationThe study presents an optical method supported by machine learning for discriminating urinary tract infections from an infection capable of causing urosepsis. The method comprises spectra of spectroscopy measurement of artificial urine samples with bacteria from solid cultures of clinical E. coli strains. To provide a reliable classification of results assistance of 27 algorithms was tested. We proved that is possible to obtain...
-
Lamb wave propagation in a single lap adhesive joint
PublicationThe aim of the paper is the analysis of Lamb wave propagation in adhesive joints. The research was performed on a single lap adhesive joint of two steel plates. Two types of joints, namely an intact and with defect were considered. In experimental investigations the condition assessment of the joint was performed with the use of antisymmetric Lamb waves excited by a plate piezo actuators and measured by a laser vibrometer. Numeri-cal...
-
Multiple output second-generation current conveyor utilizing high frequency output stage
PublicationIn this paper a multiple output second-generation current conveyor (MOCCII) is presented. The main advantage of the proposed general circuit architecture over a typical structure, well known in the literature, is the use of a high passband multiple output current mplifier block instead of cascaded current mirrors. It gives similar frequency responses for all the outputs of the current conveyor and also maintains simplicity of the...
-
Rheology of liquid crystalline polymers
PublicationLiquid crystallinity was invented in the 19th century. It was sometimes called the fourth state of matter because of the ability of macromolecules to generate liquid crystal phases. The main classification divided liquid crystalline polymers (LCPs) into lyotropic and thermotropic types. Interpretation of the rheological behavior of LCP is more complicated than for other polymers. Ordinary polymers are characterized by a normal...
-
Nowe substancje psychoaktywne CZ. II. SYNTETYCZNE KANNABINOIDY - CHARAKTERYSTYKA, METODY OZNACZANIA I WYZWANIA ANALITYCZNE
PublicationDo nielegalnego obrotu co roku trafiają nowe związki o działaniu psychoaktywnym. Dostęp do takich substancji nie jest trudny, gdyż są one łatwo dostępne w wielu krajach, głównie w sklepach internetowych. Ponadto, organy ścigania i wymiar sprawiedliwości nie nadążają z wprowadzaniem tych substancji na listy substancji zakazanych przez co ich kontrola jest bardzo utrudniona. Syntetyczne kannabinoidy to grupa związków chemicznych,...
-
Sacral sound-engineering
PublicationOrganologic and campanologic acoustical problems due to applications to sacral objects are characterized on ground of numerous reviewed publications and engineering reports. Participations of several involved research centres, mostly Polish, at solving these problems are evaluated. Some desirable future developments are indicated. Appendices bring examples of documentation on selected investigated objects.
-
Rapid Simulation-Driven Multiobjective Design Optimization of Decomposable Compact Microwave Passives
PublicationIn this paper, a methodology for fast multiobjective optimization of the miniaturized microwave passives has been presented. Our approach is applicable to circuits that can be decomposed into individual cells [e.g., compact microstrip resonant cells (CMRCs)]. The structures are individually modeled using their corresponding equivalent circuits and aligned with their accurate, EM simulated...