Filters
total: 1912
filtered: 1789
-
Catalog
Chosen catalog filters
displaying 1000 best results Help
Search results for: implicit solvent
-
Solid phase microextraction: state of the art, opportunities and applications
PublicationSolid phase microextraction is one of the most popular green techniques used for sample preparations in analytical chemistry. It is a simple, rapid, sensitive, and solvent-free technique. Since SPME was first introduced in the early 1990s, there has been an intensification of research in order to elaborate new methodical solutions in many research facilities around the world, which could increase the use of this technique. More...
-
Antibacterial polyurethanes, modifed with cinnamaldehyde, as potential materials for fabrication of wound dressings
PublicationThe epidermis is a skin layer, which protects an organism from the different factors of external environment. Therefore, the fast and effective regeneration of epidermis is important. Potential materials used for epidermis regeneration may be polyurethane scaffolds in form of the thin permeable layers. One and main disadvantage of such polyurethane scaffolds are their lack of antibacterial and antifungal properties. The great proposition...
-
Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublicationThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
-
Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers
PublicationThe reaction between Zn(NO3)2*6H2O or Zn(CH3COO)2*2H2O and isophthalic acid (1,3-H2bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H2O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn2(1,3-bdc)2(Hbzim)2] (1) and [Zn2(1,3-bdc)(bzim)2] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2)...
-
Mapping the Transglycosylation Relevant Sites of Cold-Adapted β-D-Galactosidase from Arthrobacter sp. 32cB
PublicationB-Galactosidase from Arthrobacter sp. 32cB (ArthbetaDG) is a cold-adapted enzyme able to catalyze hydrolysis of beta-D-galactosides and transglycosylation reaction, where galactosyl moiety is being transferred onto an acceptor larger than a water molecule. Mutants of ArthbetaDG D207A and E517Q were designed to determine the significance of specific residues and to enable formation of complexes with lactulose and sucrose and to...
-
An algorithm for enhancing macromodeling in finite element analysis of waveguide components
PublicationAn algorithm for enhancing the finite element method with local model order reduction is presented. The proposed technique can be used in fast frequency domain simulation of waveguide components and resonators. The local reduction process applied to cylindrical subregions is preceded by compression of the number of variables on its boundary. As a result,the finite element large system is converted into a very compact set of linear...
-
OpenGL accelerated method of the material matrix generation for FDTD simulations
PublicationThis paper presents the accelerated technique of the material matrix generation from CAD models utilized by the finite-difference time-domain (FDTD) simulators. To achieve high performance of these computations, the parallel-processing power of a graphics processing unit was employed with the use of the OpenGL library. The method was integrated with the developed FDTD solver, providing approximately five-fold speedup of the material...
-
Evolutionary algorithm and decisional DNA for multiple travelling salesman problem
PublicationIn the real world, it is common to face optimization problems that have two or more objectives that must be optimized at the same time, that are typically explained in different units, and are in conflict with one another. This paper presents a hybrid structure that combines set of experience knowledge structures (SOEKS) and evolutionary algorithms, NSGA-II (Non-dominated Sorting Genetic Algorithm II), to solve multiple optimization...
-
The preferable ways of decision-making in IT teams
PublicationSoftware development team collaboration requires various decisions regarding essential aspects of a project’s progress. General and particular decision-making models are considered, and their main aspects such as team types, problem solving categories, and decision-making ways are analyzed. The research concerns representative groups of IT specialists and their preferences in decision-making are investigated. Four possible cases were...
-
Innovative Solutions in Surface Water Quality Monitoring
PublicationIn 2010 a project entitled "Integrated Support System for Management and Protection of Water Dam Reservoir (ZiZOZap)” was initiated, to aid solving water management problems on a river and dam reservoir formed on it. An innovative system of continuous monitoring was created, that encompassed selected physical and chemical parameters of river and lake waters in three chosen sites. This article presents a selection of results, that...
-
DEEP CONVOLUTIONAL NEURAL NETWORKS AS A DECISION SUPPORT TOOL IN MEDICAL PROBLEMS – MALIGNANT MELANOMA CASE STUDY
PublicationThe paper presents utilization of one of the latest tool from the group of Machine learning techniques, namely Deep Convolutional Neural Networks (CNN), in process of decision making in selected medical problems. After the survey of the most successful applications of CNN in solving medical problems, the paper focuses on the very difficult problem of automatic analyses of the skin lesions. The authors propose the CNN structure...
-
A reliable synthesis of discrete-time H-inf control. Part I: basic theorems and J-lossless conjugators
PublicationThe paper gives a basis for solving many problems of numerically reliable synthesis of sub-optimal discrete-time control in H-inf. The approach is based on J-lossless factorisation of the delta-domain chain-scattering description of continuous-time plants being controlled. Relevant properties of poles and zeroes of chain-scattering models are given. Necessary and sufficient conditions for the existence of stabilising J-lossless...
-
Gemba Kaizen: Influencing individuals behavior for better - an approach to social marketing
PublicationThe idea of providing the Gemba Kaizen philosophy to a social level can benefit not only individuals, but the society as well. The Japanese philosophy for improvement or change for better may serve companies that are looking for increasing its value by quality management. The same principles when implemented in a society may improve quality of life of its inhabitants and help solving social problems. The use of social marketing...
-
ANALYSIS OF THE POSSIBILITIES OF HIGH SPEED SHAFT BEARING SYSTEM DURABILITY INCREASE
PublicationDuring the operation of wind turbines with a gearbox of traditional configuration, a high failure rate of high-speed shaft bearings is observed. Such a high failures frequency is not reflected in standard bearing durability calculation methods, which can be attributed to atypical failure mechanism. To avoid observed problems in the 1.5 MW wind turbine, the modification of the existing bearing system is proposed. Multiple options,...
-
SSFR Test of Synchronous Machine for Different Saturation Levels using Finite-Element Method
PublicationIn this paper the StandStill Frequency Response characteristics (SSFR) of saturated synchronous generator (SG) have been calculated using Finite Element Method (FEM) analysis. In order to validate proposed approach for unsaturated conditions FEM simulation from Flux2D software has been compared with the measurements performed on the 10 kVA, 4- poles synchronous machine ELMOR GCe64a of salient rotor construction, equipped with a...
-
River flow simulation based on the HEC-RAS system
PublicationThis work considers the problem of river floods, and presents a computer solution that can be used to predict such a threat. The basic tool, called Hydrologic Engineering Centers for River Analysis System (HEC-RAS), and created by the US Army Corps of Engineering, is well developed; and the models created in the system HEC-RAS are quite realistic. For the purpose of solving practical national flood problems, simplified static and...
-
River Flow Simulation Based on the HEC-RAS System
PublicationThis work considers the problem of river floods, and presents a computer solution that can be used to predict such a threat. The basic tool, called Hydrologic Engineering Centers for River Analysis System (HEC-RAS), and created by the US Army Corps of Engineering, is well developed; and the models created in the system HEC-RAS are quite realistic. For the purpose of solving practical national flood problems, simplified static and...
-
Simulation studies into quayside transport and storage yard operations in container terminals
PublicationThe focus of the paper is on quayside transport and storage yard operations in the sea container terminals. Developed algorithms for solving the issues of load handling and storage space allocation have been applied in the frame of adopted simulation model. The criteria chosen for decision making involved the total makespan of vessel unloading and the utilisation levels of the transportation trucks. Recommendations for unloading...
-
Determination of energy-transfer distributions in ionizing ion-molecule collisions
PublicationThe main objective of this study is to determine the energy transfer occuring in ion-molecule collisions. In order to solve this problem, we followed two approaches; the first one by validating a purely experimental method and the second one by testing a new theoretical model M3C (Microcanonical Metropolis Monte Carlo).
-
Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublicationThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
-
Scheduling of unit-length jobs with cubic incompatibility graphs on three uniform machines
PublicationWe consider the problem of scheduling n identical jobs on 3 uniform machines with speeds s1, s2, and s3 to minimize the schedule length. We assume that jobs are subject to some kind of mutual exclusion constraints, modeled by a cubic incompatibility graph. We how that if the graph is 2-chromatic then the problem can be solved in O(n^2) time. If the graph is 3-chromatic, the problem becomes NP-hard even if s1>s2=s3.
-
Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes
PublicationThe problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...
-
On the validation of the LS-DYNA Geo Metro numerical model
PublicationThe paper presents experiences gained during work with numerical model of Geo Metro vehicle used for simulations of crash tests with road safety barriers. Attention is drawn to the subject of tire/wheel breakage during collision events. Some methods for improvement of the model are presented in the paper. Several results for the normative vehicle numerical tests are introduced. Simulations were carried out using LS-DYNA finite...
-
Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublicationThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
-
Kontrola procesowa za pomocą technik czujnikowych nowych metod selektywnego oczyszczania biogazu ze związków uciążliwych zapachowo
PublicationW obecnym czasie dużą uwagę zwraca się na opracowanie efektywnej technologii oczyszczania biogazu do gazu wysokometanowego. Głównym celem rozprawy doktorskiej było opracowanie ekonomicznie opłacalnych absorbentów do efektywnego oczyszczania strumieni biogazu z substancji uciążliwych zapachowo. Procesy absorpcji fizycznej prowadzono z wykorzystaniem zaprojektowanych i otrzymanych dotąd jeszcze nie publikowanych sorbentów na bazie...
-
Comparison of Traffic Flow Models with Real Traffic Data Based on a Quantitative Assessment
PublicationThe fundamental relationship of traffic flow and bivariate relations between speed and flow, speed and density, and flow and density are of great importance in transportation engineering. Fundamental relationship models may be applied to assess and forecast traffic conditions at uninterrupted traffic flow facilities. The objective of the article was to analyze and compare existing models of the fundamental relationship. To that...
-
Arabinoxylans: A review on protocols for their recovery, functionalities and roles in food formulations
PublicationArabinoxylans (AXs) are compounds with high nutritional value and applicability, including prebiotics or supplementary ingredients, in food manufacturing industries. Unfortunately, the recovery of AXs may require advanced separation and integrated strategies. Here, an analysis of the emerging techniques to extract AXs from cereals and their by-products is discussed. This review covers distinct methods implemented over the last...
-
Flow Process Models for Pipeline Diagnosis
PublicationThis chapter examines the problem of modeling and parameterization of the transmission pipeline flow process. First, the base model for discrete time is presented, which is a reference for other developed models. Then, the diagonal approximation (AMDA) method is proposed, in which the tridiagonal sub-matrices of the recombination matrix are approximated by their diagonal counterparts, which allows for a simple determination of...
-
Where Did Knowledge Management Go?: A Comprehensive Survey
PublicationKnowledge Management (KM) research outputs have been expanding exponentially in the past years, generating diversified topics, which lack integration and classification. It has been challenging for experts to classify KM because of its versatile open fields, and in our view, it contributes to the technocratic approach remaining behind the organizational approach. This paper highlights a way to classify KM publications through a...
-
Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublicationAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
-
Smart Innovation Engineering (SIE): Experience-Based Product Innovation System for Industry 4.0
PublicationThis paper presents a semi-automatic system capable of facilitating product innovation process. This system, known as Smart Innovation Engineering (SIE) system, helps in decision-making by using the explicit knowledge of formal decision events. The SIE system carries the promise to support the innovation processes of manufactured products in a quick and efficient way. It stores and reuses the past decisional events or sets of experiences...
-
Estimation of fracture toughness and shear yield stress of orthotropic materials in cutting with rotating tools
PublicationThe cutting force is an energetic effect of splitting material, and might be considered from a point of view of modern fracture mechanics. Forecasting of the shear plane angle in cutting broaden possibilities for modelling of the cutting process even for thin uncut chips. Such mathematical model has been developed here for description of the orthotropic materials’ cutting on the base of fracture theory, and includes work of separation...
-
Shape-Based Pose Estimation of Robotic Surgical Instruments
PublicationWe describe a detector of robotic instrument parts in image-guided surgery. The detector consists of a huge ensemble of scale-variant and pose-dedicated, rigid appearance templates. The templates, which are equipped with pose-related keypoints and segmentation masks, allow for explicit pose estimation and segmentation of multiple end-effectors as well as fine-grained non-maximum suppression. We train the templates by grouping examples...
-
An analysis of domain-based ship collision risk parameters
PublicationAccording to a lot of contemporary research on ship collision avoidance the classic approach parameters – distance at closest point of approach (DCPA) and time to the closest point of approach (TCPA) – are not sufficient for estimating ship collision risk and for planning evasive manoeuvres. Consequently new measures are introduced, often utilizing the concept of a ship domain. Their drawback, up to this point, was the lack of...
-
Ionic liquids in extraction techniques: Determination of pesticides in food and environmental samples
PublicationThe intensive use of pesticides in agricultural practices has promoted the appearance of environmentaland public health problems. Due to that, scientists face challenges with developing simple, fast, sensitive,selective, and low-cost methods dedicated to determining pesticide residues in food and environmentalsamples. Following thefifth principle of Green Analytical Chemistry, chemists are searching for greeneralternatives for...
-
Techno-economic evaluation of combined cycle gas turbine and a diabatic compressed air energy storage integration concept
PublicationMore and more operational flexibility is required from conventional power plants due to the increasing share of weather-dependent renewable energy sources (RES) generation in the power system. One way to increase power plant’s flexibility is integrating it with energy storage. The energy storage facility can be used to minimize ramping or shutdowns and therefore should lower overall generating costs and CO2 emissions. In this article,...
-
Effective assessment of biopolymer-based multifunctional sorbents for the remediation of environmentally hazardous contaminants from aqueous solutions
PublicationPersistent contaminants in wastewater effluent pose a significant threat to aquatic life and are one of the most significant environmental concerns of our time. Although there are a variety of traditional methods available in wastewater treatment, including adsorption, coagulation, flocculation, ion exchange, membrane filtration, co-precipitation and solvent extraction, none of these have been found to be significantly cost-effective...
-
Shape memory thin films of Polyurethane: Does graphene content affect the recovery behavior of Polyurethane nanocomposites?
PublicationThin nanocomposite films of polyurethane have received remarkable attention due to their shape memory properties. As most of the reports focus on the beneficial aspects of the presence of nanofillers such as graphene nanoplatelets (GNPs) introduced into shape memory polymers, some research results reveal the opposite trend. The polyether/polyester-based polyurethane was synthesized through a condensation polymerization and the...
-
Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublicationBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
-
The influence of reactions conditions on aggregation of dyes used in biochemistry
PublicationSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
-
Indirect Determination of MCPD Fatty Acid Esters in Lipid Fractions of Commercially Available Infant Formulas for the Assessment of Infants’ Health Risk
PublicationMCPD esters are intensively investigated food lipid contaminants for over a decade. Concern related to their presence in various types of food products is related to the fact that possible free MCPD release from its esterified form during digestion may lead to elevated daily intake of these toxicants.Special attention should be devoted into powdered infant formulas, which contain significant amounts of refined vegetable oils, likely...
-
Multicomponent ionic liquid CMC prediction
PublicationWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
-
Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublicationThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
-
Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublicationG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
-
Ionic liquids for nano- and microstructures preparation. Part 1: Properties and multifunctional role
PublicationIonic liquids (ILs) are a broad group of organic salts of varying structure and properties, used in energy conversion and storage, chemical analysis, separation processes, as well as in the preparation of particles in nano- and microscale. In material engineering, ionic liquids are applied to synthesize mainly metal nanoparticles and 3D semiconductor microparticles. They could generally serve as a structuring agent or as a reaction...
-
Detection of impulsive disturbances in archive audio signals
PublicationIn this paper the problem of detection of impulsive disturbances in archive audio signals is considered. It is shown that semi-causal/noncausal solutions based on joint evaluation of signal prediction errors and leave-one-out signal interpolation errors, allow one to noticeably improve detection results compared to the prediction-only based solutions. The proposed approaches are evaluated on a set of clean audio signals contaminated...
-
Eye-tracking Web Usability Research
PublicationIn this paper we present the results of a study that aims to evaluate the usability of three selected web services, based on eye–tracking and thinking aloud techniques. The gathered comments and observations, recapitulated and supported by particular measures, allow us to discover and describe typical user behavior pertaining to given tasks to solve.
-
Soft skills among academics: Five theoretically informed lessons for current times
PublicationRESEARCH OBJECTIVE: The aim of this article is to provide a comprehensive examination of the role of soft skills among academics in the context of the evolving higher-education landscape. THE RESEARCH PROBLEM AND METHODS: We use a scoping review of existing literature to discuss the importance of soft skills in academia. Through critical analysis and synthesis, we identify patterns and gaps in current knowledge and develop five...
-
The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
-
The enantiomeric determination of chloro-precursors of methamphetamine
PublicationImpurity profiling and classification of seized methamphetamine may supply valuable information with respect to the conditions and the chemicals used in the illicit methamphetamine manufacture and may provide information on the original source of the sample. Determination of the stereochemical makeup of forensic samples is important as well for the same reasons. Laboratories in many places are engaged in clandestine manufacture...