Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
During the last few decades, chemo preventive and chemotherapeutic compounds against various types of cancer have been isolated from various plants. Glycyrrhezic acid (2-20%), Glycyrrhizin, is present as a major chemical constituent of natural anticancer compound Glycyrrhiza glabra L. (Fabaceae). The present work is a…
A lot of effort has been put into the synthesis of copper complexes with superoxide-dismutase (SOD) activity because of their potential pharmaceutical applications. In this work, we study a model for these so-called SOD mimics (SODm), namely a copper complex of 6-(2-hydroxy-benzaldehyde) hydrazono-as-triazine-3,5-dion…
Many porphyrin oligomers exhibit large two-photon absorptions (TPA) at fundamental photon energies around 1.5 eV, while the corresponding monomers have negligible TPA cross-sections in that energy range. In general, our understanding of nonlinear absorption in these compounds is rather limited compared to that of line…
Abstract The self‐consistent‐charge density‐functional tight‐binding (SCC‐DFTB) method is employed for computing geometric, electronic, and vibrational properties for various topological isomers of small fullerenes. We consider all pentagon/hexagon‐bearing isomers of C38, C40, and C42 as the second part of a larger ef…
Oxidation of the diferric complex [LFe(III)OFe(III)L] to the monoradical complex [LFe(III)OFe(III)L ](+) and the diradical complex [L Fe(III)OFe(III)L ](2+) is followed by a decay into monomeric complexes including a highly reactive putative [LFe(IV)[double bond, length as m-dash]O] complex.
Recently, an approach involving electrochemical preferential oxidation (ECPrOx) of CO was suggested as having the potential to replace the PrOx concept for deep CO removal from reformate gas in proton exchange membrane (PEM) fuel cells. The first part of this paper deals with the characterization of such an ECPrOx uni…
BACKGROUND: Techniques for inferring the functions of the protein by comparing their shape similarity have been receiving a lot of attention. Proteins are functional units and their shape flexibility occupies an essential role in various biological processes. Several shape descriptors have demonstrated the capability…
Reactions of the "salen" type Schiff bases H(2)L(1) and H(2)L(2) with Cd(OAc)(2).2H(2)O gave complexes with Cd(2) and Cd(3) cores and an extended 1-D framework architecture [H(2)L(1) = N,N'-(1,2-phenylenyl)-bis(5-bromo-2-hydroxy-3-methoxybenzaldimine; H(2)L(2) = N,N'-(propyl)-bis(5-bromo-2-hydroxy-3-methoxybenzaldimin…
Surface plasmon polaritons (SPPs) propagating along a perfectly electric conducting film with an array of cut-through slits are studied analytically, and both the symmetric and asymmetric dielectric environments of the film are considered. Such a film structure, whether its substrate and superstrate are the same or di…
The authors report on the investigation of amorphous Gd-based silicates as high-k dielectrics. Two different stacks of amorphous gadolinium oxide (Gd2O3) and silicon oxide (SiO2) on silicon substrates are compared after annealing at temperatures up to 1000°C. Subsequently formed metal oxide semiconductor capacitors sh…
Novel fluorene-based blue-light-emitting copolymers (F8Rs) in the β-phase are designed and synthesized using the palladium-catalyzed Suzuki reaction. The β-phase can be generated by introducing an ambipolar unit, that contains 10-n-hexylphenothiazine (PTZ) and 4-(dicyanomethylene)-2-methyl-6-[p-(dimethylamino)styryl]-…
To improve thermoelectric performance of p-type, Ca-Mg-Si alloys were synthesized by mechanical alloying (MA) and/or solid-liquid reaction (SLR). The Ca16.7Mg50.0Si33.3 − MA + SLR (synthesized by SLR with milling powder) and the Ca16.7Mg45.5Si33.3Ag0.5 − MA +SLR were composed of the phases of Mg2Si, CaMgSi and Ca7Mg7.…
SUMMARY: A material model consisting of a continuum and an interface model was proposed. When the models are used together the mechanical properties of paperboard can be accounted for. The continuum model was elastic-plastic in shear and compression, while only elastic in tension. In the continuum model two different…
We introduce an exploratory flexible fuel cell (f-FC) using a commercial catalyst. Our laminated f-FC operating from , yields the maximum powers from with area of , respectively. This implies excellent reproducibility of performance even on catalyst areas scaled down for miniaturized FCs. The impedance response of the…
This paper considers the microstructures of an Al(Mg)-Al(2)O(3) interpenetrating composite produced by a pressureless infiltration technique. It is well known that the governing principle in pressureless infiltration in Al-Al(2)O(3) system is the wettability between the molten metal and the ceramic phase; however, the…
Vesicles of fatty acids in the fluid state show interesting biomimetic properties and are potentially versatile substitutes to phospholipid vesicles in materials science. However, their use is hindered by a poor stability against variations in pH, ionic strength, temperature etc., which can be improved by using, for i…
Experiments and molecular dynamics (MD) simulations have been conducted to investigate the nanoindentation behaviours of iron with body centered cubic (BCC) structure. The experiments show that the indentation hardness decreases with the indentation depth and it changes sharply for a small depth. Two cases with differ…
Three new layered uranyl arsenates with mixed arsenate anions have been prepared by high-temperature solid-state reactions: Ag6[(UO2)2(As2O7)(As4O13)] (1), Ag6[(UO2)2(AsO4)2(As2O7)] (2), Na6[(UO2)2(AsO4)2(As2O7)] (3). The crystal structures of the synthesized compounds have been solved by direct methods, and found to…
Using nanoimprint lithography, arrays of highly ordered patterns of polyelectrolyte multilayer microcapsules consisting of alternating layers of poly(allylamine hydrochloride) and poly(sodium 4-styrene sulfonate) have been achieved. Anchoring the capsules on a pre-patterned substrate facilitates the utilization of the…
We apply our recently developed approach, combining advanced ab initio density functional theory (DFT) methods with a probabilistic kinetic Monte Carlo (KMC) scheme, to quantify the properties of mesoscopic size systems operating in real experimental conditions. The application concerns the investigation of the atomic…