Wyniki wyszukiwania dla: Letters
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Cyclic Peptidic Furin Inhibitors Developed by Combinatorial Chemistry
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Application of the discrete Green's function-based antenna simulations for excitation of the total-field/scattered-field interface in the FDTD method
PublikacjaIn this article, the discrete Green's function formulation of the finite-difference time-domain (DGF-FDTD) method is proposed for simulation of wire antennas irradiating inhomogeneous dielectric scatterers. Surface equivalence theorem in the discrete domain is used to separate the problem into an inhomogeneous domain and a wire antenna that are simulated with the use of FDTD and DGF-FDTD, respectively. Then, the excitation of the...
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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublikacjaC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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Miniaturized bandpass substrate integrated waveguide filter with frequency-dependent coupling realized using asymmetric GCPW discontinuity
PublikacjaAn asymmetric GCPW discontinuity is proposed to provide frequency-dependent coupling in microwave bandpass filters. Wider and narrow sections introduce, respectively, the capacitive and inductive component to the equivalent circuit representing coupling. By selecting the dimensions of the discontinuity and width of the inductive window in substrate integrated waveguide, an additional transmission zero can be introduced at prescribed...
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Electromagnetic wave scattering by a set of axially symmetric omega-medium cylinder
PublikacjaZaprezentowano analizę rozproszenia fali elektromagnetycznej od układu obiektów cylindrycznych zbudowanych z materiałów pseudochiralnych, umieszczonych w złączach falowodowych lub wolnej przestrzeni. Analiza bazuje na iteracyjnej procedurze rozproszenia i metodzie dopasowania rodzajów.
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Radiation phenomena from pseudochiral cylinders at plane wave incidence
PublikacjaPrzedstawiono wpływ materiałów pseudochiralnych na charakterystyki rozproszenia fali elektromagnetycznej od obiektów cylindrycznych. W celu zbadania zjawisk rozproszenia zastosowano kombinacje iteracyjnej procedury rozproszenia i metodę dopasowania rodzajów. Wpływ zastosowania materiałów pseudochiralych w konfiguracjach obiektów cylindrycznych zaprezentowano na charakterystykach pola rozproszonego w strefie dalekiej oraz na charakterystykach...
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A compact microstrip rat-race coupler constituted by nonuniform transmission lines
PublikacjaIn this work, a step-by-step development of a compact microstrip rat-race coupler (RRC) has been presented and discussed. A high degree of miniaturization has been obtained by substituting six quarter-wavelength uniform atomic building blocks of a RRC by their nonuniform counterparts. The miniaturization procedure has been realized in three progressive steps: (i) the first layout solution of a miniaturized RRC has been acquired...
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A robust design of a numerically demanding compact rat-race coupler
PublikacjaA fast and accurate design procedure of a computationally expensive microwave circuit has been presented step-by-step and experimentally validated on the basis of a compact rat-race coupler (RRC) comprising slow-wave resonant structures (SWRSs). The final compact RRC solution has been obtained by means of a sequential optimization scheme exploiting the implicit space mapping (ISM) algorithm. A well-suited surrogate optimization...
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Simulation and experiment of radiating slot in a ground-plane of microstrip junction
PublikacjaW pracy przedstawiono badania numeryczne oraz eksperymentalne szczeliny promieniującej umieszczonej w płaszczyźnie masy złącza mikropaskowego. Złącze mikropaskowe składa się z linii mikropaskowej oraz rozwartego na końcu sęka. Szczelina umieszczona jest równolegle do linii mikropaskowej.
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Design considerations for compact microstrip resonant cells dedicated to efficient branch-line miniaturization
PublikacjaA conventional compact microstrip resonant cell (CMRC)has been thoroughly investigated to enhance its slow-wave properties and subsequently ensure an efficient miniaturization of a microstrip circuit. The geometry of a classic CMRC has been improved in terms of slowwave effect in two progressive steps: (i) a single-element topology has been replaced with a double-element one and (ii) a high-impedance section has been refined by...
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IFF/SSR rectangular patch antenna with reduced transversal size
PublikacjaW artykule przedstawiono antenę mikropaskową dla systemów IFF/SSR, zasilaną poprzez szczelinę typu H. Zastosowanie tego typu szczeliny pozwoliło na 36-procentową redukcję wymiaru poprzcznego anteny,co jest szczególnie istotne ze względu na potencjalne zastosowanie anteny w szykach.Pomierzone parametry eektryczne anteny to: VSWR < 1.5; stosunek polaryzacji ortogonalnej do właściwej < 30 dB w obu płaszczyznach;zysk > 7 dBi.
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Novel topology of compact coplanar waveguide resonant cell low-pass filter
PublikacjaIn this study, a novel pseudoelliptic function low-pass filter (LPF) constituted by a compact coplanar waveguide resonant cell has been designed and manufactured. The lumped-element seven-pole prototype has been adequately realized by using complementary perturbations located both in signal line and ground plane metallization. The fabricated uniplanar LPF offers a compact size of 5.6 x 9.8 mm2, return loss better than 26 dB over...
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Comments on “Closed Form Variable Fractional Time Delay Using FFT”
PublikacjaIn this letter drawbacks of the aforementioned paper are pointed out. The proposed approach is improved with minor modifications of the discrete frequency response. This allows for design of fractional delay filters which are close to optimal and can be efficiently implemented in the frequency domain using the sliding DFT based structure. Alternatively, the derived equivalent closed form formulae for offset windows can be used...
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Doubly miniaturized rat-race hybrid coupler
PublikacjaTwo complementary miniaturization techniques have beenapplied to reduce the size of a rat-race hybrid coupler: (i) conventional microstrip sections have been replaced with their diminished lowimpedance counterparts as the first step of size reduction and (ii) novel fractal-shaped compact microstrip resonant cells dedicated to efficiently shorten low-impedance transmission line segments have been implemented as the second step of...
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Synthesis and antiproliferative activity of conjugates of adenosine with muramyl dipeptide and nor-muramyl dipeptide derivatives
PublikacjaWe synthesized a series of MDP(D,D) and nor-MDP(D,D) derivatives conjugated with adenosine through a spacer as potential immunosuppressants. New conjugates were evaluated on two leukemia cell lines (Jurkat and L1210) and PBMC from healthy donors.
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In vitro studies of antimicrobial activity of Gly-His-Lys conjugates as potential and promising candidates for therapeutics in skin and tissue infections
PublikacjaWe presented in vitro studies of antimicrobial activity of Gly-His-Lys conjugates that are important point in preliminary biological evaluation of their potential application in skin and tissue therapy. The novel compounds include the conjugation of fatty acids with a modification of the amino acid sequence in the primary structure of Gly-His-Lys.
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A structure and design optimization of novel compact microscrip dual-band rat-race coupler with enhanced bandwidth
PublikacjaIn the letter, a topology of a novel compact wideband dual-band rat-race coupler has been presented along with its computationally efficient design optimization procedure. Reduction of the circuit size has been achieved by meandering transmission lines of the conventional circuit. At the same time, the number of independent geometry parameters has been increased so as to secure sufficient flexibility of the circuit, necessary in...
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Synthesis and biological activity of novel ester derivatives of N3-(4-metoxyfumaroyl)-(S)-2,3-diaminopropanoic acid containing amide and keto function as inhibitors of glucosamine-6-phosphate synthase
PublikacjaA short series of novel ester derivatives of N3-4-methoxyfumaroyl-(S)-2,3-diaminopropanoic acid (FMDP) containing amido or keto functions have been designed and synthesized. Their antifungal activity and inhibitory properties toward fungal glucosamine-6-phosphate synthase has also been evaluated. The obtained compounds 11-13 and 15-17 demonstrated good antifunga activity against Candida albicans. Compounds 11-13 displayed also...
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On the low-cost design of abbreviated multisection planar matching transformer
PublikacjaA numerically demanding wideband matching transformer composed of three nonuniform transmission lines (NUTLs) has been designed and optimized at a low computational cost. The computational feasibility of the design has been acquired through the exploitation of low-fidelity NUTL models in most steps of the design procedure and an implicit space mapping optimization engine, providing high accuracy results with only a handful of EM...
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Chirp Rate and Instantaneous Frequency Estimation: Application to Recursive Vertical Synchrosqueezing
PublikacjaThis letter introduces new chirp rate and instantaneous frequency estimators designed for frequency-modulated signals. These estimators are first investigated from a deterministic point of view, then compared together in terms of statistical efficiency. They are also used to design new recursive versions of the vertically synchrosqueezed short-time Fourier transform, using a previously published method (D. Fourer, F. Auger, and...
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Using Evidence-based Arguments to Support Dependability Assurance - Experiences and Challenges
PublikacjaThe presentation introduces to the problem of evidence-based arguments and their applications. Then, based on the experiences collected during development and commercial deployment of a concrete solution to this problem (system NOR-STA) we overview selected challenges and the ways of addressing them.
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Triazoloacridone C-1305 impairs XBP1 splicing by acting as a potential IRE1α endoribonuclease inhibitor
PublikacjaInositol requiring enzyme 1 alpha (IRE1α) is one of three signaling sensors in the unfolding protein response (UPR) that alleviates endoplasmic reticulum (ER) stress in cells and functions to promote cell survival. During conditions of irrevocable stress, proapoptotic gene expression is induced to promote cell death. One of the three signaling stressors, IRE1α is an serine/threonine-protein kinase/endoribonuclease (RNase) that...
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Novel structure and design of enhanced-bandwidth hybrid quadrature patch coupler
PublikacjaA novel structure and design optimization procedure of an enhanced-bandwidth hybrid quadrature patch coupler is proposed. Improved performance of the circuit has been obtained by parameterizing the coupler sections using splines, which introduces additional degrees of freedom. Due to computational complexity of the parameter adjustment problem, a sequential design procedure is applied. In each iteration, a selected number of spline...
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On the plastic buckling of curved carbon nanotubes
PublikacjaThis research, for the first time, predicts theoretically static stability response of a curved carbon nanotube (CCNT) under an elastoplastic behavior with several boundary conditions. The CCNT is exposed to axial compressive loads. The equilibrium equations are extracted regarding the Euler–Bernoulli displacement field by means of the principle of minimizing total potential energy. The elastoplastic stress-strain is concerned...
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Chemical Vapor Transport Route toward Black Phosphorus Nanobelts and Nanoribbons
PublikacjaChemical vapor transport (CVT) method is widely used for bulk black phosphorus (BP) fabrication. In this work, we demonstrate that CVT provides a route for the fabrication of BP nanoribbons and nanobelts. This method consists of a two-step procedure, including initial BP column growth using the CVT technique, followed by ultrasonic treatment and centrifugation. The obtained nanostructures preserve BP column dimensions, forming...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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A new 1-nitro-9-aminoacridine derivative targeting yeast topoisomerase II able to overcome fluconazole-resistance
PublikacjaFungal resistance remains a significant threat and a leading cause of death worldwide. Thus, overcoming microbial infections have again become a serious clinical problem. Although acridine derivatives are widely analyzed as anticancer agents, only a few reports have demonstrated their antifungal activity. In an effort to develop biologically active antifungals, twelve novel C-857 (9-(2′ -hydroxyethylamino)-1-nitroacridine) and...
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Endothelial dysfunction due to eNOS uncoupling: molecular mechanisms as potential therapeutic targets
PublikacjaNitric oxide (NO) is one of the most important molecules released by endothelial cells, and its antiatherogenic properties support cardiovascular homeostasis. Diminished NO bioavailability is a common hallmark of endothelial dysfunction underlying the patho‑ genesis of the cardiovascular disease. Vascular NO is synthesized by endothelial nitric oxide synthase (eNOS) from the substrate L‑arginine (L‑Arg), with tetrahydrobiopterin...
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Dissociative Electron Attachment to 5-Iodo-4-thio-2′-deoxyuridine: A Potential Radiosensitizer of Hypoxic Cells
PublikacjaIn the search for effective radiosensitizers for tumor cells, halogenated uracils have attracted more attention due to their large cross section for dissociation upon the attachment of low-energy electrons. In this study, we investigated dissociative electron attachment (DEA) to 5-iodo-4-thio-2'-deoxyuridine, a potential radiosensitizer using a crossed electron-molecule beam experiment coupled with quadrupole mass spectrometry....
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Why Are Left-Handed G-Quadruplexes Scarce?
PublikacjaG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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Design of Microstrip UWB Balun Using Quasi-TEM Approach Aided by the Artificial Neural Network
PublikacjaThe design procedure for UWB balun realized in the microstrip technology is proposed in the paper. The procedure applies Artificial Neural Network which corrects the dimensions of the approximate design found by appropriate scaling of the dimensions of the prototype. The scale coefficients for longitudinal and transverse dimensions of microstrip lines are determined from electromagnetic modeling based on transmission line equations....
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublikacjaMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublikacjaHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Global Optimization for Recovery of Clipped Signals Corrupted With Poisson-Gaussian Noise
PublikacjaWe study a variational formulation for reconstructing nonlinearly distorted signals corrupted with a Poisson-Gaussian noise. In this situation, the data fidelity term consists of a sum of a weighted least squares term and a logarithmic one. Both of them are precomposed by a nonlinearity, modelling a clipping effect, which is assumed to be rational. A regularization term, being a piecewise rational approximation of the ℓ0 function...
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A Simple-Topology Compact Broadband Circularly Polarized Antenna With Unidirectional Radiation Pattern
PublikacjaIn this letter, a geometrically simple, reflector-backed single-point-fed circularly polarized (CP) antenna with unidirectional radiation pattern is presented. The structure comprises a simple coplanar waveguide (CPW) feeding circuit with an open slot etched on one side of the coplanar ground. The enhanced CP bandwidth is obtained by combining the loop mode, the slot mode, and the asymmetrical configuration of the coplanar ground...
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A Compact Circularly Polarized Antenna With Directional Pattern for Wearable Off-Body Communications
PublikacjaThis letter presents a geometrically simple and compact circularly polarized (CP) antenna with unidirectional radiation characteristics for off-body communications. The proposed antenna is based on a microstrip line monopole extension from a coplanar waveguide (CPW) and a protruded stub from one side of the coplanar ground plane along the length of the monopole. The orthogonal components of equal amplitudes required for circular...
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DESIGNING OF PARKING SPACES TAKING INTO ACCOUNT THE PARAMETERS OF DESIGN VEHICLES IN RUSSIA
PublikacjaNowadays, in all the cities, there is an acute problem of a lack of parking spaces. The number of vehicles are becoming more and more larger, not only in megacities, but in small cities of the country, as well and there are no more parking places - the pace of solving the problem is several times slower than the rate of the transport growth among the citizens. The article is dedicated to the determination of the optimum sizes parking...
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Uniform sampling in constrained domains for low-cost surrogate modeling of antenna input characteristics
PublikacjaIn this letter, a design of experiments technique that permits uniform sampling in constrained domains is proposed. The discussed method is applied to generate training data for construction of fast replacement models (surrogates) of antenna input characteristics. The modeling process is design-oriented with the surrogate domain spanned by a set of reference designs optimized with respect to the performance figures and/or operating...
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Objective relaxation algorithm for reliable simulation-driven size reduction of antenna structure
PublikacjaThis letter investigates reliable size reduction of antennas through electromagnetic-driven optimization. It is demonstrated that conventional formulation of the design task by direct footprint miniaturization with imposing constraints on electrical performance parameters may not lead to optimum results. The reason is that—in a typical antenna structure—only a few geometry parameters explicitly determine the antenna footprint,...
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Automatic Reduction-Order Selection for Finite-Element Macromodels
PublikacjaAn automatic reduction-order selection algorithm for macromodels in finite-element analysis is presented. The algorithm is based on a goal-oriented a posteriori error estimator that operates on low-order reduced blocks of matrices, and hence, it can be evaluated extremely quickly.
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Rapid design closure of linear microstrip antenna array apertures using response features
PublikacjaA simple yet reliable approach to a rapid design closure of linear antenna array apertures at the electromagnetic (EM)-simulation level is proposed. Our methodology exploits an underlying array factor (AF) model suitably corrected by means of characteristic points (angles and levels) of the radiation pattern of the EM model of the antenna array aperture. This conveniently allows for controlling both the side lobe levels...
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Block Conjugate Gradient Method with Multilevel Preconditioning and GPU Acceleration for FEM Problems in Electromagnetics
PublikacjaIn this paper a GPU-accelerated block conjugate gradient solver with multilevel preconditioning is presented for solving large system of sparse equations with multiple right hand-sides (RHSs) which arise in the finite-element analysis of electromagnetic problems. We demonstrate that blocking reduces the time to solution significantly and allows for better utilization of the computing power of GPUs, especially when the system matrix...
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Reduced-cost constrained miniaturization of wideband antennas using improved trust-region gradient search with repair step
PublikacjaIn the letter, an improved algorithm for electromagnetic (EM)-driven size reduction of wideband antennas is proposed. Our methodology utilizes variable-fidelity EM simulation models, auxiliary polynomial regression surrogates, as well as multi-point response correction. The constraint handling is implicit, using penalty functions. The core optimization algorithm is a trust-region gradient search with a repair step added in order...
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Implicit Space Mapping for Variable-Fidelity EM-Driven Design of Compact Circuits
PublikacjaSpace mapping (SM) belongs to the most successful surrogate-based optimization (SBO) methods in microwave engineering. Among available SM variations, implicit SM (ISM) is particularly attractive due to its simplicity and separation of extractable surrogate model parameters and design variables of the circuit/system at hand. Unlike other SM approaches, ISM exploits a set of preassigned parameters to align the surrogate with the...
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Pareto Ranking Bisection Algorithm for Expedited Multi-Objective Optimization of Antenna Structures
PublikacjaThe purpose of this letter is introduction of a novel methodology for expedited multi-objective design of antenna structures. The key component of the presented approach is fast identification of the initial representation of the Pareto front (i.e., a set of design representing the best possible trade-offs between conflicting objectives) using a Pareto-ranking bisection algorithm. The algorithm finds a discrete set of Pareto-optimal...
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On Reduced-Cost Design-Oriented Constrained Surrogate Modeling of Antenna Structures
PublikacjaDesign of contemporary antenna structures heavily relies on full-wave electromagnetic (EM) simulation models. Such models are essential to ensure reliability of evaluating antenna characteristics, yet, they are computationally expensive and therefore unsuitable for handling tasks that require multiple analyses, e.g., parametric optimization. The cost issue can be alleviated by using fast surrogate models. Conventional data-driven...
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Zero-Pole Electromagnetic Optimization
PublikacjaA fast technique for the full-wave optimization of transmission or reflection properties of general linear timeinvariant high-frequency components is proposed. The method is based on the zeros and poles of the rational function representing the scattering parameters of the device being designed and it is the generalization of the technique developed for the design by optimization of microwave filters. The performance of the proposed...