Materials Literature
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The method of local increments is used in connection with an embedded cluster approach and wave function based quantum chemical ab initio methods to describe the adsorption of a single CO molecule on the MgO(001) surface. The first step in this approach is a conventional Hartree-Fock calculation. The occupied orbitals…
We investigated the effects of various cyclodextrins (CDs) on the aqueous solubility and thermal stability of α-lipoic acid, a compound with low water solubility. α-CD, β-CD, and γ-CD had little effect on the aqueous solubility of α-lipoic acid. In contrast, 6-O-α-maltosyl-CDs increased it in a concentration-dependent…
The artificial neural network–group contribution (ANN–GC) method is applied to estimate the standard enthalpy of combustion of pure chemical compounds. A total of 4590 pure compounds from various chemical families are investigated to propose a comprehensive and predictive model. The obtained results show the squared c…
The feature of enhanced absorption in two-layered grating structures is theoretically investigated. The underlying structures make the most use of resonance mechanism to achieve a nearly perfect absorption in an intrinsically low-loss medium. For standalone gratings, the maximum absorption efficiency is shown to be 50…
A family of novel linear 1,10-phenanthroline-based (A-D-A-D-A) and oligothiophene-based (A-D-D-D-(D)-A) heterocyclic aromatic fluorescence compounds having N-containing imidazole and pyridine tails with effective π-conjugated systems, prepared by the combination of carbon-carbon (C-C) bond and carbon-nitrogen (C-N) bo…
The incorporation of Ti ions within the framework of aluminophosphate zeotype AlPO-5 and their chemical reactivity is studied by means of CW-EPR, HYSCORE, and UV-vis spectroscopies. Upon reduction, Ti(3+) ions are formed, which exhibit large (31)P hyperfine couplings, providing direct evidence for framework substituti…
A facile formation of picene was achieved by photosensitization of 1,2-di(1-naphthyl)ethane using 9-fluorenone as a sensitizer. This sensitized photoreaction is the first photochemical cyclization of ethylene-bridged naphthalene moieties to afford the picene skeleton. 5,8-Dibromopicene, prepared by this procedure usin…
Theoretical work on amino acid monomers interacting with a silica surface is very important in the field of biomaterials. However, the adsorption of an amino acid monomer on the geminal silanols of silica surfaces has rarely been studied. In this work, we study zwitterionic glycine adsorption on an edingtonite surface…
Abstract The matching preclusion number of a graph is the minimum number of edges whose deletion results in a graph that has neither perfect matchings nor almost‐perfect matchings. For many interconnection networks, the optimal sets are precisely those induced by a single vertex. Recently, the conditional matching pre…
Abstract A design strategy using a dual‐band frequency‐selective surface (FSS) consisting of double rectangular ring elements to improve the bandwidth and gain and to optimize the onsets of two operating frequencies for a U‐slot patch antenna is presented.After implanting the FSS in the U‐slot patch antenna, it was fo…
Tris(2-((ethylimino)methyl)pyren-1-ol)amine (1) was synthesized and introduced as the first tetrameric vanadate fluorescence sensor, the entire binding of which was successfully accomplished in two steps with distinct colorimetric changes and "off-on" fluorescent enhancement.
In this study, we have developed a tunable Lloyd-mirror interferometer with two degrees of freedom, in contrast to a traditional system with one degree of freedom. This new Lloyd-mirror interferometer allows an angular rotation of the mirror independently from that of a sample stage, resulting in an increased pattern…
A dynamic model representing an industrial flue gas desulfurization (FGD) unit has been developed. The purpose of this model is to anticipate new SO 2 emission legislation and to study some industrial issues such as the influence of a NH 3 slip (from the selective catalytic reduction (SCR) unit) or fly ashes (from the…
The aggregation of polypeptides into amyloid fibrils is associated with a number of human diseases. Because these fibrils--or intermediates on the aggregation pathway--play important roles in the etiology of disease, considerable effort has been expended to understand which features of the amino acid sequence promote…
We report the frictional performance and long-term tribological stability of various alkyl silane monolayer films on silicon by using pin-on-disk tribometry at ambient conditions. We show that the durability of monolayers derived from n-alkyltrichlorosilanes on silicon increases exponentially with the chain length of…
By combining density-functional theory calculations and aberration-corrected transmission electron microscopy, dislocations in Laves phase (a typical complex intermetallic compound) are shown to slip in an undulating path. During the slip, the dislocation cores jump up and down between a weakly bound plane and an adja…
A new supermolecular building blocks (SBBs) based microporous metal–organic framework (MOF) was prepared with both 1,3,5-benzenetricarboxylic acid (H 3 btc) and 2,4,6-tris(4-pyridyl)-1,3,5-triazine (tpt) as ligands. The obtained Co II MOF reveals an uncommon ftw-a -like structure from the assembly of cubohemioctahedra…
Parametric dependences of the heat flux footprint on the outer divertor target plate are explored in EDA H-mode and ohmic L-mode plasmas over a wide range of parameters with attached plasma conditions.Heat flux profile shapes are found to be independent of toroidal field strength, independent of power flow along magne…
Hydrogenases catalyze the reversible oxidation of molecular hydrogen (H₂) and play a key role in the energy metabolism of microorganisms in anaerobic environments. The hyperthermophilic archaeon Thermococcus kodakarensis KOD1, which assimilates organic carbon coupled with the reduction of elemental sulfur (S⁰) or H₂ g…
Growing interest in nanoscale organic-inorganic hybrid network polymer materials is driving exploration of new bulk and thin film synthesis reaction mechanisms. Molecular layer deposition (MLD) is a vapor-phase deposition process, based on atomic layer deposition (ALD) which proceeds by exposing a surface to an altern…