Filtry
wszystkich: 1965
-
Katalog
- Publikacje 1836 wyników po odfiltrowaniu
- Czasopisma 10 wyników po odfiltrowaniu
- Konferencje 2 wyników po odfiltrowaniu
- Osoby 20 wyników po odfiltrowaniu
- Wynalazki 1 wyników po odfiltrowaniu
- Laboratoria 1 wyników po odfiltrowaniu
- Kursy Online 42 wyników po odfiltrowaniu
- Wydarzenia 1 wyników po odfiltrowaniu
- Dane Badawcze 52 wyników po odfiltrowaniu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: implicit solvent
-
Green Analytical Chemistry Approaches in Sample Preparation
PublikacjaThis chapter presents environmentally friendly solutions for sample preparation. Attention is focused on extraction techniques and the minimization of organic solvent consumption, as the large quantitiesused in analytical laboratories are a pressing environmental problem. Solventless sample preparation techniques, alternative solvents, mediated extractions are discussed. The principle of each technique isbriefly described, together...
-
Development of thin film SPME sorbents based on deep eutectic solvents and their application for isolation and preconcentration of endocrine-disrupting compounds leaching from diapers to urine
PublikacjaIn this study, the thin film solid phase microextraction (TF-SPME) based on a novel sorbent composed of deep eutectic solvent (DES) is proposed. Among several synthesized sorbents the most efficient was DES containing trihexyl(tetradecyl)phosphonium chloride and docosanol mixed with polydimethylsiloxane (PDMS) in a molar ratio 1:3:0.25 to achieve a more stable structure. The proposed sorbent was applied on a fiberglass mesh and...
-
Surfactants application in sample preparation techniques: Insights, trends, and perspectives
PublikacjaSince the implementation of Green Chemistry into analytical practice, significant efforts have been made to improve the sustainability of chemical analysis. These include reducing the use of hazardous chemicals and solvents, minimizing waste, and improving energy efficiency. Surfactants can be applied in chemical analysis as an environmentally friendly alternative to conventional solvents and chemicals. The use of surfactants can...
-
DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
-
Analysis of Floodplain Inundation Using 2D Nonlinear Diffusive Wave Equation Solved with Splitting Technique
PublikacjaIn the paper a solution of two-dimensional (2D) nonlinear diffusive wave equation in a partially dry and wet domain is considered. The splitting technique which allows to reduce 2D problem into the sequence of one-dimensional (1D) problems is applied. The obtained 1D equations with regard to x and y are spatially discretized using the modified finite element method with the linear shape functions. The applied modification referring...
-
Evaluation of polycaprolactone as a new sorbent coating for determination of polar organic compounds in water samples using membrane–SPME
PublikacjaCommercially available solid-phase microextraction fibers used for isolation of polar analytes are based on the adsorption phenomenon. In consequence, typical limitations bonded with analytes displacement and matrix effects are very frequent. In the present study, alternative solution is described. Polycaprolactone (PCL) was used for the first time as sorbent to isolate polar organic compounds from water samples using the membrane–solid-phase...
-
Polymeric metal‐containing ionic liquid sorbent coating for the determination of amines using headspace solid‐phase microextraction
PublikacjaThis study describes the design, synthesis, and application of polymeric ionic liquid sorbent coatings featuring nickel metal centers for the determination of volatile and semivolatile amines from water samples using headspace solidphase microextraction. The examined polymeric ionic liquid sorbent coatings were composed of two ionic liquid monomers (tetra(3-vinylimidazolium)nickel bis[(trifluoromethyl)sulfonyl]imide [Ni2+(VIM)4]...
-
The dispersive micro-solid phase extraction method for MS-based lipidomics of human breast milk*
PublikacjaA simple and rapid microextraction method ensuring high lipidome coverage was developed for liquid chromatography mass spectrometry (LC-MS)-based lipidomics of human breast milk. The dispersive microsolid phase extraction (D-µ-SPE) technique, coupled with the design of experiment (DoE) method, enabled the study of the influence of several conditions (desorption solvent, stationary phase ratio, and sorption and desorption time)...
-
Sample preparation procedure using extraction and derivatization of carboxylic acids from aqueous samples by means of deep eutectic solvents for gas chromatographic-mass spectrometric analysis
PublikacjaThe paper presents a new procedure for the determination of organic acids in a complex aqueous matrixusing ultrasound-assisted dispersive liquid–liquid microextraction followed by injection port derivati-zation and GC–MS analysis. A deep eutectic solvent (choline chloride: 4-methylphenol in a 1:2 mol ratio)was used both as an extracting solvent and as a derivatizing agent to yield ion pairs which were next con-verted to methyl...
-
Polyurethanes for Coating, Adhesives, and Other Applications
PublikacjaAn interesting group of polyurethane (PU) materials are coatings, adhesives, sealants, and thickeners. A wide base of raw materials and various methods of PU synthesis allows production of materials with a wide range of properties that can be commonly used in many industries. This chapter describes the main types of PU coatings and adhesives and special application PUs and the methods of their production. The materials described...
-
Elastoplastic material law in 6-parameter nonlinear shell theory
PublikacjaWe develop the elastoplastic constitutive relations for nonlinear exact 6-parameter shell theory. A J2-type theory with strain hardening is formulated that takes into account asymmetric membrane strain measures. The incremental equations are solved using implicit Euler scheme with closest point projection algorithm. The presented test example shows the correctness of the proposed approach. Influence of micropolar material parameters...
-
Efficient Recovery of Noble Metal Ions (Pd2+, Ag+, Pt2+, and Au3+) from Aqueous Solutions Using N,N'-Bis(salicylidene)ethylenediamine (Salen) as an Extractant (Classic Solvent Extraction) and Carrier (Polymer Membranes)
Publikacja -
Development of a vortex-assisted switchable-hydrophilicity solvent-based liquid phase microextraction for fast and reliable extraction of Zn (II), Fe (II), Pb (II), and Cd (II) from various baby food products
PublikacjaThis manuscript describes the development of a novel liquid phase microextraction (LPME) method for the extraction and determination of Zn (II), Fe (II), Pb (II), and Cd (II) in various infant/baby food and supplements products. The method is based on vortex-assisted extraction combined with a switchable-hydrophilicity solvent (SHS) sample preparation. The SHS, which undergoes reversible phase changes triggered by pH change, enables...
-
SEM micrographs of NH4VO3 crystals
Dane BadawczeThe DataSet contains the scanning electron microscopy (SEM) micrographs of NH4VO3 crystals obtained by the LPE-IonEx method. The SEM images clearly show that the morphology of the end product can be nicely tuned by changing the type of ammonium salt and the solvent. It can be concluded that the used solvent affected crystal shapes and their size was...
-
Multimodal Genetic Algorithm with Phase Analysis to Solve Complex Equations of Electromagnetic Analysis
PublikacjaIn this contribution, a new genetic-algorithm-based method of finding roots and poles of a complex function of a complex variable is presented. The algorithm employs the phase analysis of the function to explore the complex plane with the use of the genetic algorithm. Hence, the candidate regions of root and pole occurrences are selected and verified with the use of discrete Cauchy's argument principle. The algorithm is evaluated...
-
Physics-guided neural networks (PGNNs) to solve differential equations for spatial analysis
PublikacjaNumerous examples of physically unjustified neural networks, despite satisfactory performance, generate contradictions with logic and lead to many inaccuracies in the final applications. One of the methods to justify the typical black-box model already at the training stage and lead to many inaccuracies in the final applications. One of the methods to justify the typical black-box model already at the training stage involves extending...
-
Sensors integration in the smart home environment - a proposal to solve the problem with user identification
PublikacjaIn this preliminary study we, investigate the possibility of user recognition techniques suitable on smart home devices like chairs, beds, aiming for low–power, high accuracy and quick response time. We propose the two well know technique: voice speaker recognition and accelerometer signal from device mounted on the chair, and the third one optical system basing on IR LED transmitter/receiver circuit. The preliminary results proved...
-
The significance of the properties of water for the working cycle of the kinesin molecular motor
PublikacjaExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
-
The reactions of dialkyl phosphites and phosphine oxides with iodosylbenzene
PublikacjaThe reaction of iodosylbenzene with >P(O)H type of acids (dialkyl phosphites, secondary phosphine oxides) was studied. The acids of >P(O)H type add to iodosylbenzene to yield intermediate 6 which in the aprotic solvents yields oxidation products, it means >P(O)OH acids and/or anhydride of >P(O)OP(O)< type. On the other hand if the reaction is performed in alcohol as a solvent in the presence of sodium alcoholate >P(O)OR ester is...
-
Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio
PublikacjaPriB is one of the components of the bacterial primosome, which catalyzes the reactivation of stalled replication forks at sites of DNA damage. The N-terminal domain of the PriB protein from the thermophilic bacterium Thermoanaerobacter tengcongensis (TtePriB) was expressed and its crystal structure was solved at the atomic resolution of 1.09 Å by direct methods. The protein chain, which encompasses the first 104 residues of the...
-
Tuning a Hybrid GPU-CPU V-Cycle Multilevel Preconditioner for Solving Large Real and Complex Systems of FEM Equations
PublikacjaThis letter presents techniques for tuning an accelerated preconditioned conjugate gradient solver with a multilevel preconditioner. The solver is optimized for a fast solution of sparse systems of equations arising in computational electromagnetics in a finite element method using higher-order elements. The goal of the tuning is to increase the throughput while at the same time reducing the memory requirements in order to allow...
-
Membrane extraction with sorbent interface-gas chromatography as an effective and fast means for continuous monitoring of thermal degradation products of polyacrylonitrile
Publikacja -
Innovative ICT Platform for Emerging eHealth Services: Towards Overcoming Technical and Social Barriers and Solving Grand Challenges in Medicine
Publikacja -
Towards solving heterogeneous fleet vehicle routing problem with time windows and additional constraints: real use case study
PublikacjaIn advanced logistic systems, there is a need for a comprehensive optimization of the transport of goods, which would reduce costs. During past decades, several theoretical and practical approaches to solve vehicle routing problems (VRP) were proposed. The problem of optimal fleet management is often transformed to discrete optimization problem that relies on determining the most economical transport routes for a number of vehicles...
-
Ionogel sorbent coatings for determining organophosphorus and pyrethroid insecticides in water and fresh juice samples by headspace-solid phase microextraction
PublikacjaThe sol–gel method yielded three different ionogel sorbent coatings that were obtained based on a silica material containing ionic liquids (ILs) immobilized in its pores. Two ILs, triethylsulfonium bis(trifluoromethylsulfonyl) imide [Set3][TFSI] and 1-butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide [C4C1Pip][TFSI], as well as their equimolar mixture [Set3/C4C1Pip], were used to obtain ionogel fibers. The developed...
-
Selectivity Tuning by Natural Deep Eutectic Solvents (NADESs) for Extraction of Bioactive Compounds from Cytinus hypocistis—Studies of Antioxidative, Enzyme-Inhibitive Properties and LC-MS Profiles
PublikacjaIn the present study, the extracts of Cytinus hypocistis (L.) L using both traditional solvents (hexane, ethyl acetate, dichloromethane, ethanol, ethanol/water, and water) and natural deep eutectic solvents (NADESs) were investigated in terms of their total polyphenolic contents and antioxidant and enzyme-inhibitive properties. The extracts were found to possess total phenolic and total flavonoid contents in the ranges of 26.47–186.13...
-
Room temperature solvent extraction for simple and fast determination of total concentration of Ca, Cu, Fe, Mg, Mn, and Zn in bee pollen by FAAS along with assessment of the bioaccessible fraction of these elements using in vitro gastrointestinal digestion
Publikacja -
Gold nanocubic structures agglomeration when put on conductive surfaces
Dane BadawczeThis dataset contains SEM images of gold nanocubes (AuNC), which were deposited at the conductive Si wafer surface and dried. The deposition method, the solvent used and AuNC concentration have a significant influence on the homogeneous distribution and their agglomeration at the surface, further influencing the electrochemical characteristics of the...
-
Green aspects of techniques for the determination of pesticides in fruits and vegetables
PublikacjaApplied all over the world, pesticides are some of the most dangerous pollutants of the environment because of their stability, mobility, their ability to accumulate in the environment and their consequent long-term adverse effects on living organisms in general and human health in particular. Their presence in the environment is a particular danger. It is therefore crucial to monitor pesticide residues using all available analytical...
-
Aggregation of nonionic surfactants in imidazolium ionic liquids
PublikacjaMicellar aggregation of surfactants in aqueous solutions has been described in terms of the balance between dispersive interactions of the hydrocarbon part of the amphiphilic molecule, and the hydration and electrostatic repulsive effects of hydrophilic head group. Changing the interactions by replacing water with another polar solvent, such as amides or glycols, has been studied to a smaller extent (Singh, Saleem et al. 1980;...
-
An facile Fortran-95 algorithm to simulate complex instabilities in three-dimensional hyperbolic systems
Dane BadawczeIt is well know that the simulation of fractional systems is a difficult task from all points of view. In particular, the computer implementation of numerical algorithms to simulate fractional systems of partial differential equations in three dimensions is a hard task which has no been solved satisfactorily. Here, we provide a Fortran-95 code to solve...
-
Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublikacjaA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
-
Analysis of pesticide residue in fruits and vegetables using analytical analytical protocol based on application of QuEChERS technique and GC-ECD system
PublikacjaQuEChERS sample preparation method was used for the determination of 10 pesticides and their metabolites in fruits (apple, grape) and vegetables (tomato, paprika), coupled to gas chromatography with electron capture detector (GC-ECD). The experimental parameters including amount of the sample, types of solvents, extraction time and types of sorbent at the purification stage were optimized. The GC-ECD method was validated in terms...
-
Investigation of antifungal and antibacterial potential of green extracts of propolis
PublikacjaPropolis extracts have been used in traditional medicines since ages due to its advantageous complex chemical composition. However, the antibacterial and antifungal activity of poplar propolis extracts prepared in Natural Deep Eutectic Solvent (NADES) are seldom studied. This study investigates suitable alternate for ethanol as a solvent for extraction for Polish poplar propolis. It also attempts to identify suitable extraction...
-
Joanna Szłapczyńska dr hab. inż.
Osoby -
Anna Lisowska-Oleksiak prof. dr hab.
OsobyAnna Lisowska-Oleksiak, born in 1952, has been working at GUT since 1977. Currently is employed at the Faculty of Chemistry as a full professor. She was employed as a research assistant at the University of St Andrews in the group of C. A. Vincent and P.G. Bruce (1991-1994). She completed a two-month research internship in CEA Grenoble (2011). Anna Lisowska-Oleksiak obtained her MSc in chemistry at Nicolaus Copernicus University...
-
Multimodal Particle Swarm Optimization with Phase Analysis to Solve Complex Equations of Electromagnetic Analysis
PublikacjaIn this paper, a new meta-heuristic method of finding roots and poles of a complex function of a complex variable is presented. The algorithm combines an efficient space exploration provided by the particle swarm optimization (PSO) and the classification of root and pole occurrences based on the phase analysis of the complex function. The method initially generates two uniformly distributed populations of particles on the complex...
-
Magnetic hydrophobic deep eutectic solvents for orbital shaker-assisted dispersive liquid-liquid microextraction (MAGDES-OS-DLLME) - determination of nickel and copper in food and water samples by FAAS
PublikacjaIn this work, a cheap and widely applicable dispersive liquid-liquid microextraction (DLLME) method was developed for the extraction of Ni(II) and Cu(II) from water and food samples and analysis using flame atomic absorption spectrometry. DLLME was assisted by orbital shaker, while ferrofluid as an extractant was based on deep eutectic solvent (DES). This ferrofluid was made of hydrophobic DES (hDES), composed of lauric acid and...
-
Determination of selenium by X-ray fluorescence spectrometry using dispersive solid-phase microextraction with multiwalled carbon nanotubes as solid sorbent
Publikacja -
Solving Boundary Value Problems for Second Order Singularly Perturbed Delay Differential Equations by ε-Approximate Fixed-Point Method
PublikacjaIn this paper, the boundary value problem for second order singularly perturbed delay differential equation is reduced to a fixed-point problem v = Av with a properly chosen (generally nonlinear) operator A. The unknown fixed-point v is approximated by cubic spline vh defined by its values vi = vh(ti) at grid points ti, i = 0, 1, ... ,N. The necessary for construction the cubic spline and missing the first derivatives at the boundary...
-
Preconditioners with Low Memory Requirements for Higher-Order Finite-Element Method Applied to Solving Maxwell’s Equations on Multicore CPUs and GPUs
PublikacjaThis paper discusses two fast implementations of the conjugate gradient iterative method using a hierarchical multilevel preconditioner to solve the complex-valued, sparse systems obtained using the higher order finite-element method applied to the solution of the time-harmonic Maxwell equations. In the first implementation, denoted PCG-V, a classical V-cycle is applied and the system of equations on the lowest level is solved...
-
A Canonical Switched Capacitor DC-DC Converter. A look at how the historical SC synthesis problem is getting solved
PublikacjaWe reconsider a solution to the historical problem in switched capacitor (SC) DC-DC converter synthesis. Specifically, we retackle the problem of constructing an SC twophase network realizing arbitrary voltage conversion ratio within rational bounds defined. Theoretical foundations are available in our earlier research [3] where a nonconstructive proof of existence was given. We briefly review and comment on known circuit solutions...
-
Genetic solver of optimization task of mpc for optimizing control of integrated quantity and quality in drinking water distribution systems
PublikacjaPredykcyjne sterowanie zintegrowana jakością i ilością wody pitnej umożliwia uzyskanie lepszej jakości sterowania niż w przypadku innych metod. Niestety wymaga rozwiązania nieliniowego, niewypukłego problemu optymalizacji. Z tego względu potrzebne jest wykorzystanie specjalizowanego solwera w celu rozwiązania problemu optymalizacji predykcyjnej w wymaganych czasie. W tym artykule przedstawiony jest dedykowany algorytm genetyczny...
-
Karaś P., Kochanowicz K., Pitek M., Domański P., Obuchowski I., Tomiczek B., Liberek K.: Evolution towards simplicity in bacterial small heat shock protein system// eLife -, (2023), s.1-21
PublikacjaEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either...
-
Balance errors generated by numerical diffusion in the solution of non-linear open channel flow equations
PublikacjaThe paper concerns the untypical aspect of application of the dissipative numerical methods to solve nonlinear hyperbolic partial differential equations used in open channel hydraulics. It is shown that in some cases the numerical diffusion generated by the applied method of solution produces not only inaccurate solution but as well as a balance error. This error may occur even for an equation written in the conservative form not...
-
DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES - PART I. CATIONIC COMPOUNDS = Oznaczanie Surfaktantów W Próbkach Środowiskowych. Część I. Związki Kationowe
PublikacjaCompounds from the group of cationic surfactants are widely applied in household, industrial, cleaning, disinfectant, cosmetic and pharmaceutical products as their specific properties (antimicrobial, emulsifying, anticorrosion, softening). After use, cationic surfactants are disposed to wastewater-treatment plants and finally with effluent water to surface waters due to their incomplete degradation. Moreover, they can freely circulate...
-
Comparison of different extraction techniques of polychlorinated biphenyls from sediments samples.
PublikacjaIn this work, problems that may occur during determination of trace levels of polychlorinated biphenyls in sediment samples are described. Main error sources are connected with extraction of analytes prior to final determination. During model studies, polychlorinated biphenyls have been extracted from sedimentreference material (METRANAL 2) with the use of different solvents (dichloromethane, hexsane, and toluene); the process...
-
BODIPY‐Perylene Charge Transfer Compounds; Sensitizers for Triplet‐Triplet Annihilation Up‐conversion
PublikacjaBODIPY heterochromophores, asymmetrically substituted with perylene and/or iodine at the 2 and 6 positions were prepared and investigated as sensitizers for triplet-triplet annihilation up conversion (TTA-UC). Single-crystal X-ray crystallographic analyses show that the torsion angle between BODIPY and perylene units lie between 73.54 and 74.51, though they are not orthogonal. Both compounds show intense, charge transfer absorption...
-
The possibility to use multi-walled carbon nanotubes as a sorbent for dispersive solid phase extraction of selected pharmaceuticals and their metabolites: Effect of extraction condition
Publikacja -
Synthesis and electrochemical characteristics of novel dithiocarbamate polymers
PublikacjaNovel dithiocarbamate compounds have been obtained by reacting a linear poly(ethylenimine)polymer, MW 50,000, with CS2. The resulting anionic polymers contain, depending on the reaction conditions, up to two sulfur atoms per one nitrogen atom (approx. 40% w/w). The polymers are soluble in dimethylsulfoxide and insoluble in acetonitrile solutions. In both solvents they are electrochemically active, in the latter case as a cast film...