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Search results for: crystal structure,phosphorus,two dimensional materials,chemical structure,transmission electron microscopy
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Chemical structure, thermal and mechanical characterization of bio-based polyurethane composites filled with microcrystalline cellulose
PublicationOver the past several decades, the interest in replacing the synthetic components used in the production of polymers and composites with their natural counteparts has been growing. Biocomposites belong to the group of materials produced with the use of renewable raw materials. There has been a recent surge of interest in the industrial applications of composites containing natural fibres reinforced with biopolymers. Biopolymers...
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Temperature-controlled nanomosaics of AuCu bimetallic structure towards smart light management
PublicationGold–copper nanostructures are promising in solar-driven processes because of their optical, photocatalytic and photoelectrochemical properties, especially those which result from the synergy between the two metals. Increasing interest in their internal structure, such as the composition or distribution of the Au and Cu as well as the size and shape of the nanoparticles, have developed to define their physicochemical properties. In...
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Focused ion beam-based microfabrication of boron-doped diamond single-crystal tip cantilevers for electrical and mechanical scanning probe microscopy
PublicationIn this paper, the fabrication process and electromechanical properties of novel atomic force microscopy probes utilising single-crystal boron-doped diamond are presented. The developed probes integrate scanning tips made of chemical vapour deposition-grown, freestanding diamond foil. The fabrication procedure was performed using nanomanipulation techniques combined with scanning electron microscopy and focused ion beam technologies....
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Crystal structure and physical properties of a novel ternary compound La15Mo Ge9
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublicationA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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Microstructure–Property Relationship of Polyurethane Foams Modified with Baltic Sea Biomass: Microcomputed Tomography vs. Scanning Electron Microscopy
PublicationIn this paper, novel rigid polyurethane foams modified with Baltic Sea biomass were compared with traditional petro-based polyurethane foam as reference sample. A special attention was focused on complex studies of microstructure, which was visualized and measured in 3D with high-resolution microcomputed tomography (microCT) and, as commonly applied for this purpose, scanning electron microscopy (SEM). The impact of pore volume,...
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublicationRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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Quantitative Structure–Activity Relationships in Two-Electron Reduction of Nitroaromatic Compounds by Enterobacter cloacae NAD(P)H:Nitroreductase
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Two-electron reduction of quinones by rat liver NAD(P)H:quinone oxidoreductase: quantitative structure–activity relationships
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The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene
PublicationStructure of nitronorbornene derivative C14H12N2O2 synthesized in the reaction of cyclopentadiene with E-2-phenyl-1-cyano-1-nitroethene was determined by single crystal X-ray diffraction analysis. It was found that in analyzed molecule the nitro group is in endo-position whereas phenyl group have exo-ori-entation.
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Two-step Conversion of Crude Glycerol Generated by Biodiesel Production into Biopolyols: Synthesis, Structural and Physical Chemical Characterization
PublicationIn this work biopolyols were synthesized via two-step process from crude glycerol and castor oil. For better evaluation of analyzed process, the impact of its time and temperature on the structure and properties of biopolyols was determined. Obtained results fully justified conducting of synthesis in two steps. Prepared materials were characterized by hydroxyl value and water content comparable to polyols industrially applied in...
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Crystal and molecular structure of bis(O,O'-diethyldithiophosphato-S,S')nickel(II): A redetermination
PublicationDoniesienie przedstawia ponownie wyznaczoną strukturę tytułowego, centrosymetrycznego kompleksu, [Ni{S2P(OC2H5)2}2]. Centralny rdzeń (S2P)2 jest płaski, co potwierdza wcześniejsze wyniki uzyskane przez McConnell'a i Kastalsky'ego, przy czym odchylenia standardowe są około siedmiokrotnie mniejsze oraz wyznaczono wszystkie pozycje atomów wodoru. W strukturze krystalicznej zaobserwowano róznież parę krótkich kontaktów HH (2.33 Å).
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Influence of dopants on structure of polycrystalline bismuth niobate
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. BiNbO4 ceramics was fabricated by mixed oxide method and sintered at temperature T<1000˚C. As the sintering aids a small amount of CuO oxide was used. The crystalline structure of the ceramic samples was examined by X-ray diffraction method at room temperature. The Rietveld refinement method was used for analysis...
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Structure and paramagnetism in weakly correlated Y8Co5
PublicationWe report the basic physical properties of monoclinic Y8Co5 determined by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. The crystal structure of Y8Co5 is monoclinic (P21/c) with lattice parameters a = 7.0582(6) Å, b = 7.2894(6) Å, c = 24.2234(19) Å, and β = 102.112(6)° as refined by using synchrotron powder x-ray diffraction data. The compound shows temperature independent paramagnetism...
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Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
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The Influence of Substitution of a Phosphorus-Containing Polyol with the Bio-polyol on the Properties of Bio-based PUR/PIR Foams
PublicationIn this work, effects of incorporating of a phosphorus-containing polyol into rigid polyurethane/polyisocyanurate foams’ formulations developed with use of two different bio-based polyols, derived from crude glycerol or liquefied cellulose were examined. The bio-polyol derived from crude glycerol was synthesized via two-step process from crude glycerol and castor oil, whereas the bio-polyol derived from liquefied cellulose was...
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Binuclear Co(II), Zn(II) and Cd(II) tri-tert-butoxysilanethiolates. Synthesis, crystal structure and spectroscopic studies.
PublicationA series of Co(II), Zn(II) and Cd(II) complexes have been synthesized in reaction of respective metal tri-tert-butoxysilanethiolates with pyrazine 1 and 2 and 1,2-bis(2-pyridyl)ethylene 3–5. All compounds have been characterized by single-crystal X-ray structure determination, elemental analysis, FT-IR and thermogravimetry. Obtained complexes are bimetallic with the formula of [M{SSi(OtBu)3}2(μ-L)]2 and metal ions bridged by N,N′-spacer....
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Structure and Stability Characterization of Natural Lake Pigments Made from Plant Extracts and Their Potential Application in Polymer Composites for Packaging Materials
PublicationNatural dyes were extracted from various plant sources and converted into lake pigments based on aluminum and tin. Three different plants (weld, Persian berries, and Brazilwood) were chosen as representative sources of natural dyes. High-performance liquid chromatography (HPLC) and triple-quadrupole mass spectrometry (QqQ MS) were used to identify dyestuffs in the raw extracts. The natural dyes and lake pigments were further characterized...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublicationIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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The influence of glycols on thermal stability and chemical structure of glycolysates
PublicationW pracy omówiono wpływ glikoli (etano-1,2-diolu - heksano-1,6-diolu) na właściwości termiczne oraz budowę chemiczną glikolizatów. Analizy przeprowadzono dla półproduktów wytworzonych w jednym stosunku masowym odpadowego poliuretanu do glikolu wynoszącego 10:1.
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Application of two-dimensional intensity maps in high-accuracy polarimetry
PublicationWe propose the analysis of 2D intensity contour maps which is based on the optical transmission function for the polarizer-specimen-analyzer system. A small modification of the high-accuracy universal polarimeter (HAUP) technique was used to measure the intensity maps (HAUP maps) and determine the phase retardation, linear dichroism (LD) parameters, and multiple light reflection contribution in uniaxial crystals. We have performed...
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Two-electron entanglement in a two-dimensional isotropic harmonic trap: Radial correlation effects in the low density limit
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On-line Search in Two-Dimensional Environment
PublicationWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. As a way of modeling two-dimensional shapes, we restrict our attention to networks that are embedded into partial grids:...
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Copper and copper-manganese 1D coordination polymers: Synthesis optimization, crystal structure and preliminary studies as catalysts for Baylis–Hillman reactions
PublicationThis work reports the influence of experimental parameters (pH and counter-ion) in the synthesis of the 1D coordination polymer [Cu(IDA)(H2O)2]n (IDA = iminodiacetate), named here Cu-IDA. Copper-manganese bimetallic coordination polymers were also obtained by isomorphic replacement into Cu-IDA structure, with different molar ratio of Cu2+ and Mn2+ ions, denoted here as Cu/Mn-IDA (0.9/0.1; 0.7/0.3 and 0.5/0.5). New coordination...
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In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted beta-D-Galactosidases: Crystal Structure of betaDG from Arthrobacter sp. 32cB
PublicationThere is an increasing demand for cold-adapted enzymes in a wide range of industrial branches. Nevertheless, structural information about them is still scarce. The knowledge of crystal structures is important to understand their mode of action and to design genetically engineered enzymes with enhanced activity. The most difficult task and the limiting step in structural studies of cold-adapted enzymes is their crystallization,...
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Structure redetermination, transport and thermal properties of the YNi3Al9 compound
PublicationSingle crystals of completely ordered variant of the YNi3Al9 compound were grown by self-flux method with excess of aluminum. The crystal structure of the title compound was redetermined from single crystal X-ray diffraction data. The structure adopts ErNi3Al9 type, space group R32, parameters of the unit cell a = 7.2838(2) Å, c = 27.4004(8) Å. The growth of relatively large single crystals of the YNi3Al9 compound, having completely...
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Effects of different external carbon sources and electron acceptors on interactions between denitrification and phosphorus removal in BNR processes
PublicationThe effects of two different external carbon sources (acetate, ethanol) and electron acceptors (dissolved oxygen, nitrate and nitrite) were investigated under aerobic and anoxic conditions with non-acclimated process biomass from a full-scale biological nutrient removal activated sludge system. When acetate was added as an external carbon source, phosphate release was observed even in the presence of electron acceptors. The release...
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The Boltzmann sequence-structure channel
PublicationWe rigorously study a channel that maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein statistics. This channel, which we also call the Boltzmann sequence-structure channel, is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. In our previous work, we verified experimentally that the channel capacity has a phase transition for...
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Two-dimensional gas chromatography – principles and application in fruits analysis
PublicationTwo-dimensional gas chromatography is a rapidly developing analytical technique. One of the major uses of this technique is its use for food analysis. The paper presents the principle of operation and history of this analytical technique. The specification of the two-dimensional gas chromatography technique has been discussed. The principles of separation of ingredients and application of the method, particularly in the analysis...
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Modification of cellulosic filler with diisocyanates – volatile organic compounds emission assessment and stability of chemical structure over time
PublicationThis paper investigated the impact of type and content of diisocyanate on the structure of modified cellulose fillers. Four the most popular isocyanates were applied – isophorone, hexamethylene, toluene and methylene diphenyl diisocyanate – at loadings of 1–15 wt%. Chemical structure, and its short-term storage stability, were investigated for eight weeks. Moreover, the main volatile organic compounds detected during modification,...
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Rich Bifurcation Structure in a Two-Patch Vaccination Model
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Effect of bio-based components on the chemical structure, thermal stability and mechanical properties of green thermoplastic polyurethane elastomers
PublicationIt seems to be obvious that conditions changes during polyols synthesis have impact on the polyols properties. Even the chemical formula is the same or similar, physicochemical properties and also molecular weight of polyols might be different and are significant in term of future polyurethanes properties and processing. In this work, fully bio-based poly(propylene succinate)s synthesized at different temperature conditions were...
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On exact two-dimensional kinematics for the branching shells
PublicationWe construct the two-dimensional (2D) kinematics which is work-conjugate to the exact 2D local equilibrium conditions of the non-linear theory of branching shells. It is shown that the compatible shell displacements consist of the translation vector and rotation tensor fields defined on the regular parts of the shell base surface as well as independently on the singular surface curve modelling the shell branching. Several characteristic...
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects
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Bistability in a One-Dimensional Model of a Two-Predators-One-Prey Population Dynamics System
PublicationIn this paper, we study a classical two-predators-one-prey model. The classical model described by a system of three ordinary differential equations can be reduced to a one-dimensional bimodalmap. We prove that this map has at most two stable periodic orbits. Besides, we describe the bifurcation structure of the map. Finally, we describe a mechanism that leads to bistable regimes. Taking this mechanism into account, one can easily...
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Current Trends in Wick Structure Construction in Loop Heat Pipes Applications: A Review
PublicationThermal control systems have been introduced as an important part of electronic devices, enabling thermal management of their electronic components. Loop heat pipe (LHP) is a passive two-phase heat transfer device with significant potential for numerous applications, such as aerospace applications, high-power LEDs, and solar central receivers. Its advantages are high heat transfer capability, low thermal resistance, long-distance...
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The influence of small intestinal mucus structure on particle transport ex vivo
PublicationMucus provides a barrier to bacteria and toxins while allowing nutrient absorption and waste transport. Unlike colonic mucus, small intestinal mucus structure is poorly understood. This study aimed to provide evidence for a continuous, structured mucus layer and assess the diffusion of different sized particles through it. Mucus structure was assessed by histology and immunohistochemistry. Ultra-structure was assessed by scanning...
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The valance state of vanadium-key factor in the flexibility of potassium vanadates structure as cathode materials in Li-ion batteries
PublicationPotassium hexavanadate (K2V6O16·nH2O) nanobelts have been synthesized by the LPE-IonEx method, which is dedicated to synthesis of transition metal oxide bronzes with controlled morphology and structure. The electrochemical performance of K2V6O16·nH2O as a cathode material for lithium-ion batteries has been evaluated. The KVO nanobelts demonstrated a high discharge capacity of 260 mAh g−1, and long-term cyclic stability up to 100...
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On-line Search in Two-Dimensional Environment
PublicationWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. We require that the strategy is connected and monotone, that is, at each point of the execution the part of the graph...
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Influence of Phosphorus Speciation on Its Chemical Removal from Reject Water from Dewatering of Municipal Sewage Sludge
PublicationThe aim of the presented research was the assessment of phosphorus speciation impact on the precipitation of phosphorus in reject water using Ca(OH)2. To achieve this, phosphorus speciation (organic and inorganic phosphorus in suspension and in dissolved form) in reject water that is produced during sludge dewatering, after methane digestion in wastewater treatment plants (WWTPs), was determined. This study covered the materials...
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Comprehensive two-dimensional gas chromatography for determination of the terpenes profile of blue honeysuckle berries
PublicationTerpenes are the main group of secondary metabolites, which play essential role in human. The establishment of the terpenes profile of berries of different blue honeysuckle cultivars was achieved by headspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (HS-SPME/GCGC-TOFMS). The berries were found to contain 44 terpenes identified by GCGC-TOFMS....
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Structure and properties comparison of poly(ether-urethane)s based on nonpetrochemical and petrochemical polyols obtained by solvent free two-step method
PublicationThe application of thermoplastic polyurethanes (TPU) is becoming more and more extensive, and the decreasing of used petrochemical monomers and reduction of energy for the polymerization and processing processes is getting increasingly important. In this paper, we confirmed the positive influence of high bio-based monomers contents (by replacing petrochemical polyol and glycol by bio-based counterparts) on processing and properties...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Piezoresponse force microscopy and dielectric spectroscopy study of Ba0.6Sr0.4TiO3 thin films
PublicationResearch on synthesis, characterization and determination of processing – structure – property relationships of commercially important ferroelectric thin films has been performed. The sol-gel-type solution deposition technique was applied to produce good quality thin films of Ba0.6Sr0.4TiO3 (BST60/40) chemical composition on the stainless steel substrates. The thin films were characterized in terms of their microstructure, crystal...
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Relationship between Chemical Structure and Biological Activity Evaluated In Vitro for Six Anthocyanidins Most Commonly Occurring in Edible Plants
PublicationNumerous studies have provided evidence that diets rich in anthocyanins show a broad spectrum of health benefits. Anthocyanins in nature are usually found in the form of glycosides. Their aglycone forms are called anthocyanidins. The chemical structure of anthocyanins is based on the flavylium cation, but they differ in the position and number of substituents. However, the bioactives and foods that contain them are frequently treated...
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublicationIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Inline Microstrip Bandpass Filter With Two Transmission Zeros and Increased Order Using Spurious Resonance of Frequency-Dependent Inverter
PublicationA design method for a class of fourth-order inline microstrip bandpass filter with two transmission zeros and 20% fractional bandwidth is presented. The filter consists of two quarter-wavelength transmission-line resonators coupled by a frequency-dependent inverter. The inverter is composed of two open-ended stubs that are connected by an interdigital capacitor and introduces two poles and two transmission zeros in the filter response....
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Shear-Jamming in Two-Dimensional Granular Materials with Power-Law Grain-Size Distribution
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