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Search results for: SCATTERING OF MOLECULES AND IONS
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Electromagnetic wave scattering in structures containing cylindrical object.**2005, 177 s. 119 rys. 8 tab. bibliogr. 239 poz.
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Thermodynamic Properties of Inorganic Salts in Nonaqueous Solvents. VI. Apparent Molar Volumes, Expansibilities, and Compressibilities of Divalent Transition Metal Ions in Methanol and Dimethylsulfoxide
PublicationThe temperature dependence of the density of divalent transition metal perchlorates in dimethylsulfoxide as well as cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol was determined. Moreover, sound velocities for solutions of cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol have been measured at 298.15 K. From these data, the partial molar volumes,...
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Facilitated transport of Zn(II), Cd(II) and Pb(II) ions trough polymer inclusion membranes with calix[4]-crown-6 derivaties
PublicationBadano transport mieszaniny równomolowych ilości jonów Zn(II), Cd(II) i Pb(II)z wodnej fazy azotanowej (cMe=0,001M) przez polimerowe membrany inkluzyjne(PIM) zawierające pochodne kaliks[4]korony-6 jako nośniki jonów. Badany był wpływ różnych podstawników na wydajność procesu. Selektywność transportu przez membrany zawierające jonofory 4 i 5 malała w kolejności Pb(II), Zn(II), Cd(II), natomiast z jonoforem 3 Pb(II), Zn(II)Cd(II)....
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Studies on removal of Zn(II), Cd(II) and Pb(II) ions in polymer inclusion membrane transport with calix[4]-crown-6 derivatives
PublicationZbadano selektywność procesu wydzielania jonów cynku(II), kadmu(II) i ołowiu(II) z wodnych roztworów azotanowych zawierających równomolową mieszaninę tych trzech metali (cMe= 0,01 M) w procesie transportu przez polimerowe membrany inkluzyjne (PIM) przy użyciu w roli przenośników jonów pochodnych kaliks[4]-korony-6. Membrany typu PIM syntezowano z trójoctanu celulozy (nośnik), eteru o?nitrofenylopentylowego (pastyfikator) i pochodnych...
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Adsorptive Capacity of Calcinated Hen Eggshell Blended with Silica Gel for Removal of Lead II Ions from Aqueous Media: Kinetics and Equilibrium Studies
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Spectral analysis of mechanical and respiratory influences on width of subarachnoid space assessed with non-invasive method of near-infrared transillumination/back scattering sounding
PublicationW pracy przedstawiono zastosowanie analizy widmowej do badania zmian szerokości przestrzeni podpajęczynówkowej spowodowanych ruchami głowy i wysilonym oddechem w nieinwazyjnej metodzie transiluminacji w bliskiej podczerwieni.
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Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations
PublicationZbadano limonen metodami spektroskopii absorpcyjnej, elektronowej, fotojonizacyjnej. Wyniki porównano z obliczeniami ab initio. Otrzymano strukturę wibracyjną molekuły.
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Third-order nonlinear optical features of zirconia-added lead silicate glass ceramics embedded with Pb2Fe2O5 perovskite crystal phases and role of Fe ions
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Structural and spectroscopic investigation of new luminescent hybrid materials based on calix[4]arene-tetracarboxylate and Ln 3+ ions (Ln = Gd, Tb or Eu)
PublicationLanthanide-calixarene hybrid materials are of particular interest due to the combination of the interesting properties of the ligand cavity-like structure and the luminescent features of lanthanides. The aim of this study was to synthesize and investigate the photophysical properties of Eu3+, Tb3+ and Gd3+ hybrids based on calix[4]arene-tetracarboxylate. The preparation of two structurally different...
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Co-microprecipitation/flotation of trace amounts of cadmium from environmental samples through its complexation with iodide and neutralization with cetyltrimethylammonium bromide in the presence of perchlorate ions
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Studies on intercorrelation between selected persistent organic pollutants (POPs) and ions in sea water from the coastal zone of the Baltic Sea, Gdańsk Bay Region
PublicationMorze Bałtyckie jest zbiornikiem słonej wody a szacunkowy czas wymiany z innymi akwenami wynosi 25 lat. Woda morska jest zanieczyszczona wieloma nieorganicznymi oraz organicznymi substancjami. Opracowanie przedstawia wyniki badań monitoringowych oraz ocenę stanu zanieczyszczenia środowiska morskiego w południowej części Morza Bałtyckiego, w rejonie Zatoki Gdańskiej. W próbkach wody morskiej oznaczano: wielopierścieniowe węglowodory...
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The comparison of the removal of copper(II) and zinc(II) ions from aqueous solution using 2,6-diaminopyridine in a polymer inclusion membrane and in a classic solvent extraction
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Simultaneous Recovery of Precious and Heavy Metal Ions from Waste Electrical and Electronic Equipment (WEEE) Using Polymer Films Containing Cyphos IL 101
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N,N’-Bis(salicylidene)ethylenediamine (Salen) as an Active Compound for the Recovery of Ni(II), Cu(II), and Zn(II) Ions from Aqueous Solutions
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A study of the structure of mixed micellar solutions based on heptaethylene glycol monotetradecyl ether and sodium (lithium) dodecyl sulfate by the small-angle neutron scattering method
PublicationZbadano micelizację w układach mieszanych bazujących na nowym surfaktancie niejonowym, heptaoksyetylenowanym alkoholu tetradecylowym (C14E7) i surfaktantach anionowych, dodecylosiarczanie sodu, decylosiarcznie sodu oraz dodecylosiarcznie litu za pomocą metody niskokątowego rozproszenia neutronów.Przedstawione zostały wstępne wyniki zachowania wodnych roztworów C14E7 (o dwóch stężeniach 0,17 i 0,50%) przy niewielkim udziale trzech...
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Composite 2D Material-Based Pervaporation Membranes for Liquid Separation: A Review
PublicationToday, chemistry and nanotechnology cover molecular separations in liquid and gas states by aiding in the design of new nano-sized materials. In this regard, the synthesis and application of two-dimensional (2D) nanomaterials are current fields of research in which structurally defined 2D materials are being used in membrane separation either in self-standing membranes or composites with polymer phases. For instance, pervaporation...
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Solid-phase extraction using octadecyl-bonded silica modified with photosynthetic pigments from Spinacia oleracea L. for the preconcentration of lead(II) ions from aqueous samples
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Ceragenin CSA-13 as free molecules and attached to magnetic nanoparticle surfaces induce caspase-dependent apoptosis in human breast cancer cells via disruption of cell oxidative balance
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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Support Materials of Organic and Inorganic Origin as Platforms for Horseradish Peroxidase Immobilization: Comparison Study for High Stability and Activity Recovery
PublicationIn the presented study, a variety of hybrid and single nanomaterials of various origins were tested as novel platforms for horseradish peroxidase immobilization. A thorough characterization was performed to establish the suitability of the support materials for immobilization, as well as the activity and stability retention of the biocatalysts, which were analyzed and discussed. The physicochemical characterization of the obtained...
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Use of Near Infrared Transillumination/Back Scattering Sounding (NIR-T/BSS) to assess effects of elevated intracranial pressure on width of subarachnoid space and celebrovascular pulsation in animals
PublicationW pracy dokonano ocenę zmiany szerokości przestrzeni podpajęczynówkowej i tętnienia naczyń mózgowych w czasie chwilowego zwiększenia ciśnienia śródczaszkowego u królików doświadczalnych. Badania zostały przeprowadzone przy wykorzystaniu metody transiluminacji w bliskiej podczerwieni z rozpraszaniem zwrotnym NIRT-BSS.
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In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublicationIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublicationThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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Oznaczanie stężeń jonów fluorkowych w próbkach wody pitnej z terenu miasta Malborka = Determination of fluoride ions in drinking water samples collected from the area of the town of Malbork
PublicationW pracy przedstawiono badania próbek wody pitnej z terenu miasta Malborka. Próbki wody pobierano sześciokrotnie (w miesięcznych odstępach - październik 2008, listopad 2008, grudzień 2008, styczeń 2009, luty 2009 oraz marzec 2009) w siedmiu punktach leżących w głównych dzielnicach miasta Malborka. Pobrane próbki podano analizie w celu oznaczenia następujących parametrów: zawartość anionów: F-, Cl-, Br-, 2NO , 3NO , 34 PO , 24 SO...
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Multivariate Statistical Analysis for Mutual Dependence Assessment of Selected Polyphenols, Organic Acids and Metals in Cool-Climate Wines
PublicationPolyphenols, organic acids and metal ions are an important group of compounds that affect the human health and quality of food and beverage products, including wines. It is known that a specific correlation between these groups exist. While wines coming from the New World and the Old World countries are extensively studied, wines coming from cool-climate countries are rarely discussed in the literature. One of the goals of this...
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Lower rim substituted p-tert-butyl-calix[4]arene. Part 16. Synthesis of 25,26,27,28-tetrakis(piperidinylthiocarbonylmethylene)-p-tert-butylcalix[4]arene and its interaction with metal ions
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The Application of 2,6-Bis(4-Methoxybenzoyl)-Diaminopyridine in Solvent Extraction and Polymer Membrane Separation for the Recovery of Au(III), Ag(I), Pd(II) and Pt(II) Ions from Aqueous Solutions
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Efficient, fast, simple, and eco-friendly methods for separation of toxic chromium(VI) ions based on ion exchangers and polymer materials impregnated with Cyphos IL 101, Cyphos IL 104, or D2EHPA
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Antioxidant Interactions between Major Phenolic Compounds Found in 'Ataulfo' Mango Pulp: Chlorogenic, Gallic, Protocatechuic and Vanillic Acids
PublicationPhenolic compounds are known to have antioxidant capacity; however, there is little information about molecular interactions between particular phenolics found in fruits at different developmental stages. Therefore, the total antioxidant capacity of the phenolic compounds of a fruit may not correspond to the sum of individual antioxidant capacity given by antioxidants from that tissue. In this study, individual antioxidant capacity...
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Ion Chromatography with Pulsed Amperometric Detection for Determining Cyanide in Urine and Meconium Samples
PublicationThe parents’ addictions and eating habits have a significant influence on the child’s growth. The first stool of a newborn baby provides a large amount of information about xenobiotics transmitted by the mother’s body. The analytical technique used in the study is ion chromatography with pulsed amperometric detection (IC-PAD). The biological samples, which were obtained from women staying in a maternity ward and their partners,...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Differential cross sections for electron elastic scattering and vibrational v=1 excitation in nitrogen in the energy range [online] from 5 to 20 eV measured over an angular range 10deg-180deg
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‘Acridines’ as New Horizons in Antifungal Treatment
PublicationFrequent fungal infections in immunocompromised patients and mortality due to invasive mycosis are important clinical problems. Opportunistic pathogenic Candida species remain one of the leading causes of systemic mycosis worldwide. The repertoire of antifungal chemotherapeutic agents is very limited. Although new antifungal drugs such as lanosterol 14α-demethylase and β-glucan synthase inhibitors have been introduced into clinical...
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Family Tree for Aqueous Organic Redox Couples for Redox Flow Battery Electrolytes: A Conceptual Review
PublicationRedox flow batteries (RFBs) are an increasingly attractive option for renewable energy storage, thus providing flexibility for the supply of electrical energy. In recent years, research in this type of battery storage has been shifted from metal-ion based electrolytes to soluble organic redox-active compounds. Aqueous-based organic electrolytes are considered as more promising electrolytes to achieve “green”, safe, and low-cost...
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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)
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
PublicationTwo unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine.The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane 2-oxide (2a) illustrates theproduct of N-phosphorylation of phenothiazine. Moreover, a potential product of 2a instability,a thiophosphoric acid 2b, was successfully isolated and structurally characterized. Molecule 2a,similarly to sulfoxide derivative...
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublicationSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Skorygowana nomenklatura rodników, jonów, jonorodników i podobnych indywi-duów chemicznych. (Zalecenia IUPAC 1993). Z ang. przełożyli: M. Hoffmann, S. Milewski, W. Przychodzeń, T. Sokołowska, D. Witt. Red. nauk. T. Sokołow- ska, A. Wiśniewski. Wrocław: Uniw. Wroc.**2001, 123 s. 4 tab. bibliogr. 21 poz. Biblioteka Wiadomości Chemiczne. Org.: W. H. Powell. Revised nomenclature for radicals, ions, radical ions and related species (IUPAC recommendations 1993). Pure Appl. Chem. vol. 65.
PublicationDokument zawiera reguły tworzenia nazw systematycznych cząstek wymienionychw tytule. Reguł jest 110. Numerowane są od RC-80 do RC-85, z podpunktami.Zastępują one Reguły C-80 do C-85 Nomenklatury Związków Organicznych IUPAC zroku 1979. Reguły są ilustrowane wzorami (ok. 600), którym przypisano nazwęlub nazwy systematyczne.
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Zastosowanie metody galwanostatycznej do wyznaczania błędu fazy elektrod woltamperometrycznych
PublicationW pracy przeanalizowano właściwości metrologiczne elektrod woltamperometrycznych w dziedzinie częstotliwości. Wykazano, że w przypadku, gdy reakcja elektrochemiczna kontrolowana jest procesem transportu jonów, elektroda woltamperometryczna zachowuje się tak jak przetwornik pomiarowy I rzędu. Jej właściwości metrologiczne opisane są przez czułość, częstotliwość graniczną, błąd amplitudy i błąd fazy. Przeprowadzona analiza pokazała,...
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2,6-Bis((benzoyl-R)amino)pyridine (R = H, 4-Me, and 4-NMe2) Derivatives for the Removal of Cu(II), Ni(II), Co(II), and Zn(II) Ions from Aqueous Solutions in Classic Solvent Extraction and a Membrane Extraction
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Wpływ parametrów strugi paliwa wtryskiwanego do cylindra silnika okrętowego na początkową fazę rozpylania
PublicationPrzedmiotem rozprawy jest analiza procesu wtrysku oleju napędowego do cylindra silnika okrętowego z zapłonem samoczynnym i bezpośrednim wtryskiem paliwa. Analiza tego zagadnienia została przeprowadzona w aspekcie wpływu makro parametrów strugi na początkową fazę rozpylania oleju napędowego. Celem niniejszej pracy jest określenie wpływu współczynnika L/D (długość otworu/średnica) otworu wylotowego wtryskiwacza na zmianę charakterystyki...
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Wpływ kształtu elektrody woltamperometrycznej na jej właściwości metrologiczne w dziedzinie czasu
PublicationW artykule omówiono właściwości metrologiczne elektrod woltamperometrycznych. Wykazano, że w przypadku oznaczania małych wartości stężeń jonów metali, elektrody te zachowują się tak jak przetworniki pomiarowe I rzędu. Ich właściwości metrologiczne opisuje czułość i stała czasowa. Wartości tych wielkości są uzależnione od mechanizmu transportu jonów do/od powierzchni elektrod oraz od ich kształtu. Wykonano symulacje wpływu kształtu...
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Oznaczanie tlenu – od metody Winklera do czujników enzymatycznych (Determination of oxygen – from Winkler Method to enzymatic sensor)
PublicationMonitoring of dioxygen levels is of utmost importance from the view-point of life processes, medical diagnostics, nutrition and chemical industries. In all these measurements both low and high levels of this element are important. The common methods for the determination of dioxygen are the Winkler method, Clark electrode and pulsoxymeters. A new, already strong field of research can be now recognized – the development of miniaturized...
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Simulating propagation of coherent light in random media using the Fredholm type integral equation
PublicationStudying propagation of light in random scattering materials is important for both basic and applied research. Such studies often require usage of numerical method for simulating behavior of light beams in random media. However, if such simulations require consideration of coherence properties of light, they may become a complex numerical problems. There are well established methods for simulating multiple scattering of light (e.g....
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Degradation of metal implants covered with silver
PublicationSilver was known for its antibacterial properties as long ago as in antiquity. The silver ions have ability to join the bacteria surface. Low density of silver ions Ag+ influence the protons through the bacteria surface, which results in total destruction of the cell. Antibacterial activity of silver remains in proportion with the density of silver ions Ag+ in the environment.
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Kriging Models for Microwave Filters
PublicationSurrogate modeling of microwave filters’ response is discussed. In particular, kriging is used to model either the scattering parameters of the filter or the rational representation of the filter’s characteristics. Surrogate models for these two variants of kriging are validated in solving a microwave filter optimization problem. A clear advantage of surrogate models based on the rational representation over the models based on scattering...
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Water Behavior Near the Lipid Bilayer
PublicationIn this chapter, we focus on the dynamics of water molecules situated in the vicinity of a phospholipid bilayer. Using a molecular dynamics simulation method, we studied interactions between water and the bilayer and tracked trajectories of the water molecules. Based on the hypothesis that molecules trapped inside the bilayer make different motions than the ones which are either attached to the surface or move freely in the water...
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Advanced Oxidation Processes for Degradation of Water Pollutants—Ambivalent Impact of Carbonate Species: A Review
PublicationAdvanced oxidation processes (AOPs) hold great promise in the removal of organic contaminants. Reactive oxygen species (ROS) produced in AOPs react with target pollutants to initially form several intermediate compounds that finally undergo complete mineralization. Such observations are reported, especially for laboratory-scale experiments performed in pure water. On the other hand, while considering real contaminated wastewater...