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Wyniki wyszukiwania dla: XRD MOLECULAR STRUCTURES
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On Fast Multi-objective Optimization of Antenna Structures Using Pareto Front Triangulation and Inverse Surrogates
PublikacjaDesign of contemporary antenna systems is a challenging endeavor, where conceptual developments and initial parametric studies, interleaved with topology evolution, are followed by a meticulous adjustment of the structure dimensions. The latter is necessary to boost the antenna performance as much as possible, and often requires handling several and often conflicting objectives, pertinent to both electrical and field properties...
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Design-oriented modeling of antenna structures by means of two-level kriging with explicit dimensionality reduction
PublikacjaThe employment of full-wave electromagnetic (EM) analysis is a practical necessity in the design of contemporary antenna structures. This is because simpler models are generally not available or of limited accuracy. At the same time, EM-based design is computationally expensive. Consequently, the ways of accelerating tasks such as parametric optimization or uncertainty quantification have to be sought. A possible workaround that...
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On Nature-Inspired Design Optimization of Antenna Structures Using Variable-Resolution EM Models
PublikacjaNumerical optimization has been ubiquitous in antenna design for over a decade or so. It is indispensable in handling of multiple geometry/material parameters, performance goals, and constraints. It is also challenging as it incurs significant CPU expenses, especially when the underlying computational model involves full-wave electromagnetic (EM) analysis. In most practical cases, the latter is imperative to ensure evaluation reliability....
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A Novel Trust-Region-Based Algorithm with Flexible Jacobian Updates for Expedited Optimization of High-Frequency Structures
PublikacjaSimulation-driven design closure is mandatory in the design of contemporary high-frequency components. It aims at improving the selected performance figures through adjustment of the structure’s geometry (and/or material) parameters. The computational cost of this process when employing numerical optimization is often prohibitively high, which is a strong motivation for the development of more efficient methods. This is especially...
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublikacjaG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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BET specific surface area measurements of silica-coated bismuth oxide(Bi2O3) and gadolinium oxide (Gd2O3) structures
Dane BadawczeThe BET specific surface area was measured using an N2 adsorption/desorption isotherm (Micromeritics ASAP 2460, Norcross, GA, USA).
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublikacjaThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
PublikacjaChitosan–collagen blends have been widely applied in tissue engineering, joints diseases treatment, and many other biomedical fields. Understanding the affinity between chitosan and collagen type II is particularly relevant in the context of mechanical properties modulation, which is closely associated with designing biomaterials suitable for cartilage and synovial fluid regeneration. However, many structural features influence...
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Isothermal calorimetry data for cement pastes containing pristine Bi2O3/Gd2O3 and silica-coated Bi2O3/Gd2O3 structures
Dane BadawczeCsv file containing raw calorimetric data determined up to 168 h (Tam Air 3 8-channel isothermal calorimeter) of cement pastes containing Bi2O3+Gd2O3 amd silica-coated Bi2O3-Gd2O3 structures. Sample designation in the .csv file is in line with sample designation in the manuscript associated with dataset.
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Palladium versus Platinum: The Metal in the Catalytic Center of a Molecular Photocatalyst Determines the Mechanism of the Hydrogen Production with Visible Light
PublikacjaTo develop highly efficient molecular photocatalysts for visible light-driven hydrogen production, a thorough understanding of the photophysical and chemical processes in the photocatalyst is of vital importance. In this context, in situ X-ray absorption spectroscopic (XAS) investigations show that the nature of the catalytically active metal center in a (N^N)MCl2 (M=Pd or Pt) coordination sphere has a significant impact on the...
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The application of environmental issues in designing urban structures – a framework for comprehensive local planning policies
PublikacjaThe implementation of environmental issues in planning and designing urban structures is becoming a novel approach and a common practice consistent with the paradigm of sustainable development. Maintaining environmental quality in urban areas, managing natural resources and understanding the complexity of urban systems is becoming increasingly challenging. Therefore, it is important to develop strategies for the integration of...
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RF Input-Quasi-Reflectionless Dispersive-Delay Structures Based on Complementary-Diplexer Circuits
PublikacjaA class of RF dispersive-delay structures (DDSs) with input-quasi-reflectionless behavior is reported. It is based on the exploitation of complementary-diplexer circuit networks, in which the out-of-band RF-input-power echoes reflected by the main bandpass-filter-(BPF)-type channel are dissipated by the resistively-terminated auxiliary bandstop-filter-(BSF)-type channel. Specifically, it is shown that the influence of the absorptive...
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Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublikacjaThe use of carbon nanotubes as anticancer drug delivery cargo systems is a promising modality as they are able to perforate cellular membranes and transport the carried therapeutic molecules into the cellular components. Our work describes the encapsulation process of a common anticancer drug, Isatin (1H-indole-2,3-dione) as a guest molecule, in a capped single-walled carbon nanotube (SWCNT) host with chirality of (10,10). The...
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The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublikacjaWe report on the reactivity of R2P–P(Li)–PR’2 (R = tBu, iPr, R’ = NEt2, iPr) towards diimido complexes [(dippN)2MCl2·dme] (M = Mo, W and dipp = 2,6-iPr2C6H3). A series of new complexes with diphosphanylphosphido ligands R2P–P–PR’2 were isolated. The solid-state structures of [(dippN)2M(Cl)(1,2-η-iPr2P–P– PiPr2)] (2Mo and 2W) and [(dippN)2M(Cl){1,2-η-tBu2P–P–P(NEt2)2}] (3Mo and 3W) were established by single-crystal X-ray diffraction...
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Accelerated Parameter Tuning of Antenna Structures by Means of Response Features and Principal Directions
PublikacjaPopularity of numerical optimization has been steadily on the rise in the design of modern antenna systems. Resorting to mathematically rigorous parameter tuning methods is a matter of practical necessity as interactive techniques (e.g., parameter sweeping) are no longer adequate when handling several performance figures over multi-dimensional parameter spaces. The most common design scenarios involve local tuning since decent...
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Molecular Characterisation of Uterine Endometrial Proteins during Early Stages of Pregnancy in Pigs by MALDI TOF/TOF
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Fast EM-driven size reduction of antenna structures by means of adjoint sensitivities and trust regions
PublikacjaIn this letter, a simple yet robust and computationally efficient optimization technique for explicit size reduction of antenna structures is presented. Our approach directly handles the antenna size as the main design objective, while ensuring satisfactory electrical performance by means of suitably defined penalty functions. For the sake of accuracy, the antenna structure is evaluated using high-fidelity EM simulation. In order...
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Relationship between vortex structures and shear localization in 3D granular specimens based on combined DEM and Helmholtz-Hodge decomposition.
PublikacjaRelationship between vortex structures and shear localization in 3D granular specimens based on combined DEM and Helmholtz-Hodge decomposition. Granular Matter, doi:10.1007/s10035-018-0815-0, 2018.
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Plasma Treatment as an Unconventional Molecular Magnet Engineering Method
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Molecular diagnosis in type I epithelial ovarian cancer
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Low-Molecular-Weight Aldehyde Inhibitors of Cathepsin G
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Role of electronic correlations in the transport characteristics of molecular junctions
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An efficient molecular docking using conformational space annealing
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Lipid-protein interactions in membranes: a molecular modelling study
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Reply to “Comment on ‘Molecular Origin of Anticooperativity in Hydrophobic Association'”
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Molecular factors involved in the development of diabetic foot syndrome.
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Shape resonance of the ethylene anion stabilized in a molecular trap
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Molecular dynamics simulations of ultraprecision machining of fcc monocrystals
PublikacjaArtykuł zawiera wyniki wielkoskalowych symulacji dynamiczno-molekularnych ultraprecyzyjnego skrawania monokryształów metali niedeformowalnym narzędziem. Zmiennymi parametrami symulacji były: szybkość i głębokość skrawania, temperatura, orientacja krystalograficzna skrawanego kryształu oraz kształt narzędzia.Analizie poddano zmiany strukturalne w obrabianym materiale.
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Categories and General Algebraic Structures with Applications
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FATIGUE & FRACTURE OF ENGINEERING MATERIALS & STRUCTURES
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International Journal of Vehicle Structures and Systems
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JOURNAL OF INTELLIGENT MATERIAL SYSTEMS AND STRUCTURES
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Cellular and Molecular Bioengineering
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DIAGNOSTIC MOLECULAR PATHOLOGY
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MOLECULAR BRAIN RESEARCH
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AIMS Molecular Science
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Clinical and Molecular Hepatology
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GENETICS AND MOLECULAR BIOLOGY
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Frontiers in Molecular Neuroscience
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ENVIRONMENTAL AND MOLECULAR MUTAGENESIS
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Current Molecular Pharmacology
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Molecular Oral Microbiology
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MOLECULAR ECOLOGY NOTES
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EXPERIMENTAL AND MOLECULAR MEDICINE
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Molecular & Cellular Biomechanics
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EMBO Molecular Medicine
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GENETICS AND MOLECULAR RESEARCH
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Research in Molecular Medicine
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Clinical and Molecular Allergy
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Journal of Molecular Psychiatry
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