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Search results for: iterative solvers
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Genetic solver of optimization task of mpc for optimizing control of integrated quantity and quality in drinking water distribution systems
PublicationPredykcyjne 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...
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Selected issues related to the toxicity of ionic liquids and deep eutectic solvents—a review
PublicationGreen Chemistry plays a more and more important role in implementing rules of sustainable development to prevent environmental pollution caused by technological processes, while simultaneously increasing the production yield. Ionic liquids (ILs) and deep eutectic solvents (DESs) constitute a very broad group of substances. Apart from many imperfections, ILs and DESs have been the most promising discoveries in the world of Green...
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Catalysts for advanced oxidation processes: Deep eutectic solvents-assisted synthesis – A review
PublicationNew catalyst synthesis techniques, including green materials, are extensively studied for heterogeneous photocatalytic advanced oxidation processes (AOPs) on spotlight of sustainable development. Deep eutectic solvents (DESs) started to be used in this field as environmentally friendly alternative to ionic liquids (ILs). During the catalyst synthesis, DESs can act as stabilizers, capping agents, structure directing agents, templates,...
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Deodorization of model biogas by means of novel non-ionic deep eutectic solvent
PublicationThe paper presents new non-ionic deep eutectic solvent (DES) composed of natural and non-toxic components i.e. guaiacol, camphor and levulinic acid in 1:1:3 molar ratio as a promising absorbent for removal of selected volatile organic compounds (VOCs) including dichloromethane, toluene, hexamethyldisiloxane and propionaldehyde from model biogas. The affi nity of DES for VOCs was determined as vapour-liquid coeffi cients and the...
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Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
PublicationPurpose Study on curcumin dissolved in natural deep eutectic solvents (NADES) was aimed at exploiting their beneficial properties as drug carriers. Methods The concentration of dissolved curcumin in NADES was measured. Simulated gastrointestinal fluids were used to determine the concentration of curcumin and quantum chemistry computations were performed for clarifying the origin of curcumin solubility enhancement in NADES. Results NADES...
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Solvent effects on the nitrogen NMR chemical shifts in 1-methylazoles – a theoretical study
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Theoretical analysis of solvent effects on nitrogen NMR chemical shifts in oxazoles and oxadiazoles
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Determination of aliphatic amines in water by gas chromatography using headspace solvent microextraction
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublicationNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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One‐Pot Synthesis of Selected P‐Vinylbenzyls under Solvent‐Free Conditions
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Metrological parameters of sulphur dioxide amperometric sensor containing addition of aprotic solvents
PublicationW publikacji zaprezentowano wyniki badań nad dodatku rozpuszczalnika aprotycznego do roztworu elektrolitu wewnętrznego czujnika na parametry metrologiczne prototypowego czujnika ditlenku siarki z membraną nafionową. Porównywano właściwości pięciu czujników różniących się składem elektrolitu. W każdym przypadku elektroda pracująca wykonana była ze złota, próżniowo napylonego na powierzchnię membrany. Roztwory elektrolitów zawierały...
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Evaluation of starch plasticization efficiency by deep eutectic solvents based on choline chloride
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Possible application of new class of solvents in the purification of water used in hydraulic fracturing
PublicationNowym źródłem energii niekonwencjonalnej w Polsce może być gaz, który jest uwięziony w łupkach. Podczas poszukiwań gazu łupkowego, duże ilości wody wykorzystywanej w procesie szczelinowania hydraulicznego powracają na powierzchnię zanieczyszczone. Istnieje wiele metod usuwania śladowych ilości węglowodorów tj. fizyczne czyli filtracja czy chemiczne czyli zakwaszanie, ale mogą one być nieskuteczne. Pożądana metoda to monitorowanie...
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublicationThe present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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Novel “acid tuned” deep eutectic solvents based on protonated L-proline
PublicationThe paper presents new types of deep eutectic solvents (DESs) based on L-proline protonated using three different acids (hydrochloric, sulfuric and phosphoric)and playing the role of a hydrogen bond acceptor(HBA). Glucose and xylitol were used as hydrogen bond donors (HBD). A series of deep eutectic solvents with various mole ratios were obtained for the systems L-proline: glucose and L-proline: xylitol. Density, melting point,...
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Expectation-Maximization Model for Substitution of Missing Values Characterizing Greenness of Organic Solvents
PublicationOrganic solvents are ubiquitous in chemical laboratories and the Green Chemistry trend forces their detailed assessments in terms of greenness. Unfortunately, some of them are not fully characterized, especially in terms of toxicological endpoints that are time consuming and expensive to be determined. Missing values in the datasets are serious obstacles, as they prevent the full greenness characterization of chemicals. A featured...
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Application of deep eutectic solvents for separation and determination of bioactive compounds in medicinal plants
PublicationThe medicinal plants industry, particularly in regard to products rich in biologically active substances for maintaining health, has grown by leaps and bounds in the last decade, with sales of over-the-counter drugs containing these substances growing by billions of dollars. Attention has thus also been paid to the safety and effectiveness of these medicines. We are currently witnessing a rapid increase in the number of publications...
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Efficient Extraction of Fermentation Inhibitors by Means of Green Hydrophobic Deep Eutectic Solvents
PublicationThe methods for hydrogen yield efficiency improvements, the gaseous stream purification in gaseous biofuels generation, and the biomass pretreatment are considered as the main trends in research devoted to gaseous biofuel production. The environmental aspect related to the liquid stream purification arises. Moreover, the management of post-fermentation broth with the application of various biorefining techniques gains importance....
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublicationDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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New Carvone-Based Deep Eutectic Solvents for Siloxanes Capture from Biogas
PublicationDuring biogas combustion, siloxanes form deposits of SiO2 on engine components, thus shortening the lifespan of the installation. Therefore, the development of new methods for the purification of biogas is receiving increasing attention. One of the most effective methods is physical absorption with the use of appropriate solvents. According to the principles of green engineering, solvents should be biodegradable, non-toxic, and...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Bio‐polyols synthesized by liquefaction of cellulose: Influence of liquefaction solvent molecular weight
PublicationCurrently, the plastics industry including polyurethanes is based on the use of petrochemicals. For this reason, scientists are looking for new types of renewable resources for the substitution of petrochemical substances. This work aims to evaluate the effect of polyethylene glycols (PEG) with different molecular mass impact on properties of bio-based polyols synthesized via biomass liquefaction of cellulose. To date, research...
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VOCs absorption from gas streams using deep eutectic solvents – A review
PublicationVolatile organic compounds (VOCs) are one of the most severe atmospheric pollutants. They are mainly emitted into the atmosphere from anthropogenic sources such as automobile exhaust, incomplete fuel combustion, and various industrial processes. VOCs not only cause hazards to human health or the environment but also adversely affect industrial installation components due to their specific properties, i.e., corrosive and reactivity....
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Statistical evaluation of the changes in cellulose properties caused by the stepwise solvent exchange and esterification
PublicationThe objective of the research was to empirically confirm the changes in cellulose reactivity caused by the pre-treatment with solvents of different polarity. Therefore, 5 solvents varying in their polar component of surface tension from 0 to 4.6 mN/m were chosen. Their impact on the biopolymer properties was carefully analysed concerning chemical structure, crystallinity and surface characteristics. It was revealed that the length...
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Donor properties of water in organic solvents derived from infrared spectraof HDO
PublicationPrzedyskutowano niektóre ilościowe aspekty kooperatywności wiązań wodorowych wody. Zaproponowano skalę własności elektronodonorowych wody w środowisku aprotycznych rozpuszczalników organicznych, pochodną w stosunku do skali liczb donorowych Gutmanna.
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Correction to: The Operative management in Bariatric Acute abdomen (OBA) Survey: long-term complications of bariatric surgery and the emergency surgeon’s point of view
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Designing digital displays and interactive media in today’s cities by night. Do we know enough about attracting attention to do so?
PublicationWith the huge transformation in the development of digital screen technology and its consistently decreasing cost, digital billboards are progressively replacing traditional static, two-dimensional poster advertisements in our cities1. Previously, due to the substantial expenditure involved, they were only available to major international brands with vast promotional resources to build their brand fame. Today, however, they are...
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Preconditioners with Low Memory Requirements for Higher-Order Finite-Element Method Applied to Solving Maxwell’s Equations on Multicore CPUs and GPUs
PublicationThis 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...
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The bahaviour of selected silver coated body implants in presence of various bacteria
PublicationThe article deals with implants covered with silver nanoparticles and its influence on bacteria adhesion.
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Characteristics of silver-dopped carbon nanotube coating destined for medical applications
PublicationCarbon nanotubes are materials demonstrating outstanding mechanical, chemical, and physical properties and are considered coatings of titanium implants. The present research is aimed to characterize the microstructure and properties of the multi-wall carbon nanotubes (MWCNTs) layer decorated with silver nanoparticles (Ag NPs) on the Ti13Nb13Zr alloy destined for long-term implants. The electrophoretic deposition of coatings...
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Transparent TiO2 nanotubes supporting silver sulfide for photoelectrochemical water splitting
PublicationDifferences between photoelectrochemical and electrochemical activity were thoroughly investigated for the oxygen evolution reaction mediated by Ag2S deposited on two types of ordered titania substrates. Titanium dioxide nanotubes were fabricated by anodization of magnetron sputtered Ti films on ITO-coated glass substrates or directly from Ti foil. Further, Ag2S deposition on the nanotubes was carried out using successive ionic...
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Silver(I) complexes with nitrile ligands: New materials with versatile applications
PublicationIn the present study, the structure, thermal stability, conductive properties, and antimicrobial activity of silver(I) complexes with nitrile ligands were investigated. For the construction of the materials, 2-cyanopyridine (2-cpy), 4-cyanopyridine (4-cpy), 1,2-dicyanobenzene (1,2-dcb), and 1,3-dicyanobenzene (1,3-dcb) were used in addition to the silver nitrite and nitrate. Four new compounds were isolated and structurally characterized:...
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Modification of Titanium (IV) Dioxide with Small Silver Nanoparticles: Application in Photocatalysis
PublicationThe surface of commercial TiO2 compounds (P25 and ST01) has been modified with Ag nanoparticles induced by radiolysis. On P25, the Ag nanoclusters are very small (1−2 nm) and homogeneous in size while on ST01, two populations of nanoparticles are obtained, small nanoparticles (1−2 nm) and larger ones (mean diameter 7 to 12 nm depending on the silver loading). The photocatalytic properties of Ag-modified TiO2 have been studied for...
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The Effects of Silver Ion Implantation on Structural and Morphological Performance of Hydroxyapatite Coatings
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Graphene Oxide-Based Nanocomposites Decorated with Silver Nanoparticles as an Antibacterial Agent
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Plasmon and structure resonances in the scattering of light by a periodic chain of silver nanocylinders
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Comparative analysis of national and regional models of the silver economy in the European Union
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Plasmon resonances of an infinite grating of silver wires coated with dielectric envelopes
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Lasing thresholds of plasmon and grating modes of coated silver nanowire gratings
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Synthesis of antimicrobial silver nanoparticles through a photomediated reaction in an aqueous environment
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Effect of carbonate substitution on physicochemical and biological properties of silver containing hydroxyapatites
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Surface-enhanced Raman scattering of water in aqueous dispersions of silver nanoparticles
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Reactions of methyl radicals with silica supported silver nanoparticles in aqueous solutions
PublicationSilica supported silver nanoparticles (Ag°–SiO2 –NCs, NCs=nanocomposites) suspended in aqueous solutions are efficient catalysts for the dimerization of methyl radicals to produce ethane, while bare silica is quite inert towards the interaction with methyl radicals. In the presence of small amounts of ethanol adsorbed on the SiO2 surface, the reaction path with methyl radicals is changed and methane is formed as the major product.
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First Copper(I) and Silver(I) Complexes Containing Phosphanylphosphido Ligands
PublicationThree new complexes with phosphanylphosphido ligands, [Cu4{μ2-P(SiMe3)-PtBu}4](1), [Ag4{μ2-P(SiMe3)-PtBu2}4](2) and [Cu{η1-P(SiMe3)-PiPr2}2]–[Li(Diglyme)2] (3) were synthesized and structurally characterized by X-ray diffraction, NMR spectroscopy, and elemental analysis. Complexes 1 and 2 were obtained in the reactionsof lithium derivative of diphosphane tBu2P-P(SiMe3)Li·2.7THF withCuCl and [iBu3PAgCl]4, respectively....
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In Vitro Biological Characterization of Silver-Doped Anodic Oxide Coating on Titanium
PublicationDespite the high biocompatibility and clinical effectiveness of Ti-based implants, surface functionalization (with complex osteointegrative/antibacterial strategies) is still required. To enhance the dental implant surface and to provide additional osteoinductive and antibacterial properties, plasma electrolytic oxidation of a pure Ti was performed using a nitrilotriacetic acid (NTA)-based Ag nanoparticles (AgNP)-loaded calcium–phosphate...
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Potentiometric and AM1d studies of silicon and phosphorous podands-silver (I) complexes
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Potentiometric and AM1d studies of silicon and boron podands—silver (I) complexes
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Reverse flow routing problem solved by the Space-Time Conservation Method
PublicationW artykule rozpatruje się zagadnienie odwrotnej transformacji przepływów dla przypadku przepływu nieustalonego wolno zmiennego w kanałach otwartych, opisanego układem równań de Saint Venanta. Przedstawiono specyficzne dla rozpatrywanego przypadku problemy powstające na etapie jego rozwiązywania oraz zaproponowano efektywny algorytm obliczeniowy, wykorzystujący nową, atrakcyjną metodę czasoprzestrzennych objętości skończonych. Do...
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A GPU Solver for Sparse Generalized Eigenvalue Problems with Symmetric Complex-Valued Matrices Obtained Using Higher-Order FEM
PublicationThe paper discusses a fast implementation of the stabilized locally optimal block preconditioned conjugate gradient (sLOBPCG) method, using a hierarchical multilevel preconditioner to solve nonHermitian sparse generalized eigenvalue problems with large symmetric complex-valued matrices obtained using the higher-order finite-element method (FEM), applied to the analysis of a microwave resonator. The resonant frequencies of the low-order...