Materials Literature
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Vertically aligned epitaxial Ge/Si heterostructure nanowire arrays on Si(100) substrates were prepared by a two-step chemical vapor deposition method in anodic aluminum oxide templates. n-Butylgermane vapor was employed as new safer precursor for Ge nanowire growth instead of germane. First a Si nanowire was grown by…
An experimental investigation was conducted to study the interaction of combined modes of loading on crack instability in the presence of the opening and sliding modes of stress intensity factors, the opening and tearing modes of stress intensity factors, and all three modes of stress intensity factors. Through-cracke…
In this paper, we present a comparison of the performance of a series of embedded atom method potentials for the evaluation of bulk and small aluminium cluster geometries and relative energies, against benchmark density functional theory calculations. In general, the non-pairwise potential-B (NP-B), which was parametr…
The calix[4]arene-based podand, which incorporates two Schiff-base functions derived from S-alkyldithiocarbazate in 1,3-alternate positions on the lower rim has been prepared and reacted with transition metal ions. X-ray single crystal diffraction of nickel and copper complexes shows that two iminothiolate domains are…
Lower hybrid (LH) current drive experiments have been carried out on JET with an antenna–plasma separatrix distance varying between 0.09 and 0.15 m, and LH power in the range 0–3.2 MW. For different plasma configurations, the electron density n e of the scrape-off layer has been studied by the mean of a reciprocating…
Tungsten disulphide nanoparticles with diameters of about 200 nm modified by extractant trioctylamine (TOA) have been successfully prepared via an extraction-solvothermal method at a relative lower temperature. TOA was first saturated with 1 mol/l vitriol (H 2 SO 4 ) aqueous solution, and then
The envelope protein gp120/gp41 of simian and human immunodeficiency viruses plays a critical role in viral entry into host cells. However, the extraordinarily high structural flexibility and heavy glycosylation of the protein have presented enormous difficulties in the pursuit of high-resolution structural investigat…
Title 7,14-disubsituted pentacene-5,12-diones were prepared for the first time by a nucleophilic substitution reaction of a pentacene-5,7,12,14-tetraone with aryl- or ethynyllithiums followed by a dehydroxylation reaction. The methylenequinoid structures with two conjugated carbonyl groups were clearly observed in the…
The single-crystal X-ray structures of the copper 1,5,9-cyclododecatriene complexes ( cis, cis, trans -C 12 H 18 )Cu(OTf), cct- 1, ( cis, trans, trans -C 12 H 18 )Cu(OTf), ctt- 1, and ( trans, trans, trans -C 12 H 18 )Cu(OTf), ttt- 1, have been determined. In all three compounds, the triflate ligand and all three C═C…
New nitric oxide synthase (NOS) inhibitors were designed de novo with knowledge gathered from the studies on the nNOS-selective dipeptide inhibitors. Each of the new inhibitors consists of three fragments: an aminopyridine ring, a pyrrolidine, and a tail of various length and polarity. The in vitro inhibitory assays i…
This work focuses on the size-based characterization of a water-soluble ionic polydiacetylene with a polycationic structure, poly-[(1,6-bis( N -methylimidazolium)hexa-2,4-diyne)dibromide]. This polymer could not be characterized using classical analytical techniques such as size-exclusion chromatography and MALDI−TOF…
The effects of high pressure up to 10 GPa on organic molecules in the form of a solid or a self-assembled monolayer (SAM) on a metal surface are investigated by Raman spectroscopy. The SAMs studied are benzenethiol (BT) and benzenemethylthiol (BMT) on polycrystalline Ag(111). Raman spectra of the SAMs are obtained usi…
A carboxylesterase with a beta-lactamase fold from Arthrobacter possesses a low level of hydrolytic activity (0.023 mumol.min(-1).mg(-1)) when acting on a 6-aminohexanoate linear dimer byproduct of the nylon-6 industry (Ald). G181D/H266N/D370Y triple mutations in the parental esterase increased the Ald-hydrolytic acti…
Conformational analysis of poly(ethylene terephthalate) (PET) and poly(ethylene-2,6-naphthalate) (PEN) has been carried out by the refined rotational isomeric state (RIS) scheme coupled with ab initio molecular orbital (MO) calculations for a model compound, ethylene glycol dibenzoate (EGDB). 1 H and 13 C NMR experime…
The success of intraosseous transcutaneous amputation prostheses (ITAP) relies on soft tissue attachment to prevent infection which leads to implant failure. Fibronectin (Fn) has been shown to enhance dermal fibroblast attachment in vitro, however measurement of cell attachment strength has been indirect; using cell a…
Integrated and compact products necessitate the use of advanced thermal management systems with reduced footprint and cost as well as increased efficiency. Micro-scale, porous and modulated (i.e. channels, pyramids, etc) surfaces offer increased surface area for a given volume and lead to two-phase heat transfer condi…
Trace tritium experiments (TTE) on JET were analysed using Monte Carlo modelling of the neutron emission resulting from the neutral beam injection (NBI) of short (~300 ms) tritium (T) beam blips into reversed shear, hybrid ELMy H-mode and L-mode deuterium plasmas for a wide range of plasma parameters. The calculated n…
Two different metal ions, monovalent M(+) (M = Ag, Cu) and divalent Hg(2+), were alternately arranged on a circle with a diameter of 1.5 nm in such a way that six metal ions were put between two disk-shaped hexamonodentate template ligands (L), thereby forming the sandwich-shaped hexanuclear complexes [M(3)Hg(3)L(2)](…
The microwave-assisted route allows the synthesis of a new Ti hydroxyfluoride adopting a derived form of a ReO 3 -type network. Combined techniques such as (i) powder X-ray and neutron diffraction coupled with electron microscopy; (ii) chemical analysis and density measurements; and (iii) FTIR and TGA analyses support…
Size matters! The electronic structure and size-dependent stability of neutral and cationic scandium-doped copper clusters have been investigated by mass spectrometric studies (for the cations) and also quantum chemical computations. The proposed reaction paths ultimately lead to the most stable Frank-Kasper-shaped Cu…