Materials Literature
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The technique of transformation optics (TO) is an elegant method for the design of electromagnetic media with tailored optical properties. In this paper, we focus on the formal structure of TO theory. By using a complete covariant formalism, we present a general transformation law that holds for arbitrary materials in…
The electronic structure and stability of the XMg(8) clusters (X = Be, B, C, N, O, and F) are studied using first principles theoretical calculations to understand the variation in bonding in heteroatomic clusters which mix simple divalent metals with main group dopants. We examine these progressions with two competin…
In this study, removing sulfur dioxide (SO2), nitrogen oxides (NOx), and mercury (Hg) from simulated flue gas was investigated in two laboratory-sized bubbling reactors that simulated an oxidizing reactor (where the NO and Hg0 oxidation reactions are expected to occur) and a wet limestone scrubber, respectively. A sod…
The photophysical behavior of eosin Y adsorbed onto microcrystalline cellulose was evaluated by reflectance spectroscopy, steady-state fluorescence spectroscopy and laser induced time-resolved luminescence. On increasing the concentration of the dye, small changes in absorption spectra, fluorescence redshifts and fluo…
The effect of atomic impurities including N, O, Na, Ti and Co on the surface states of the topological insulator (TI) Bi(2)Te(3) is studied using pseudopotential first principles methods. The robustness of the TI surface states is particularly investigated against magnetic and non-magnetic atomic adsorption by calcula…
Das Beste aus zwei Welten: Bodipy-basierte Bildgebungssonden können durch direkten 19F/18F-Austausch spurlos in hybride PET/Fluoreszenzbildgebungs-Reagentien überführt werden, ohne dass ein aufwändiges Neudesign notwendig ist. Dieser Ansatz hat das Potenzial, die Entwicklung von Bildgebungsreagentien zu beschleunigen,…
Water inside carbon nanotubes as an example of nanoconfined water has gained noticeable attention, in both theoretical and applied aspects. Molecular simulation has played a major role in the studies in this field. Yet, there is a need for systematic study of simulation results and compilation of scientifically reliab…
New bifunctional pyrazole based ligands of the type [C(3)HR(2)N(2)CONR'] (where R = H or CH(3); R' = CH(3), C(2)H(5), or (i)C(3)H(7)) were prepared and characterized. The coordination chemistry of these ligands with uranyl nitrate and uranyl bis(dibenzoyl methanate) was studied with infrared (IR), (1)H NMR, electrospr…
Quantum ground states on the nontrivial side of a topological quantum critical point (TQCP) have unique properties that make them attractive candidates for quantum information applications. A recent example is provided by $s$-wave superconductivity on a semiconductor platform, which is tuned through a TQCP to a topolo…
The Hierarchical Reference Theory (HRT) of fluids is a general framework for the description of phase transitions in microscopic models of classical and quantum statistical physics. The foundations of HRT are briefly reviewed in a self-consistent formulation which includes both the original sharp cut-off procedure and…
The effective propagation constants in dense nontenuous media with multi-species of particles are studied. The multi-species refers to the case that the medium is a mixture of particles with different sizes and permittivities. Results based on the approach of Quasicrystalline Approximation (QCA) and the approach of Qu…
Solid-phase pyrolysis is often modelled using the Arrhenius degradation equation with three unknown parameters: reaction order, activation energy and pre-exponential factor. Since the parameters are model dependent and not directly measurable, several estimation methods have been developed over the years for extractin…
Interleukin-6 (IL-6) is a pleiotropic cytokine secreted by macrophages and others and it has been proven to be a potential therapeutic target of RA. Norisoboldine (NOR) is the main isoquinoline alkaloid constituent in the dry roots of Lindera aggregata (Sims) Kosterm. (L. strychnifolia Vill.), which has long been used…
The micellization of Pluronic triblock copolymers (P103, P123, and L43) in the presence of flurbiprofen at different pH was studied by small-angle neutron scattering (SANS), pulsed-field gradient stimulated-echo nuclear magnetic resonance (PFGSE-NMR), and surface tension measurements. Addition of flurbiprofen to the P…
Ta 2 O 5 films were deposited on GaAs(100) surfaces using thermal atomic layer deposition from pentakis dimethyl amino tantalum (PDMAT) and H 2 O. The interface between the films and native oxide covered GaAs surfaces has been examined using X-ray photoelectron spectroscopy as a function of film thickness and for depo…
We have investigated the electroluminescence spectra of the electroluminescent devices based on the new zinc complexes of amino-substituted benzothiazoles and quinolines containing the C-N-M-N chains in their chelate cycles. The spectra exhibit strong exciplex bands in the green to yellow region 540 to 590 nm due to i…
We proposed a silicon-based optical switch with a carrier-plasma-induced phase shifter which employs a silicon-germanium (SiGe) / silicon (Si) hetero-structure in the waveguide core. A type-I hetero-interface formed by SiGe and Si is expected to confine carriers effectively in the SiGe waveguide core. The fabricated M…
A new approach was proposed for the analysis of light current–voltage ( I – V ) characteristics of nonideal heterjunctions in the case of the dominating current transport mechanisms induced by multistep tunnel-recombination processes via interface states. I – V characteristics of the anisotype abrupt heterojunction n-…
Flow perfusion culture is used in many areas of tissue engineering and offers several key advantages. However, one challenge to these cultures is the relatively low-throughput nature of perfusion bioreactors. Here, a flow perfusion bioreactor with increased throughput was designed and built for tissue engineering. Thi…
The elucidation of the complex relationships linking genotypic and phenotypic variations to protein structure is a major challenge in the post-genomic era. We present MSV3d (Database of human MisSense Variants mapped to 3D protein structure), a new database that contains detailed annotation of missense variants of all…