Materials Literature
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The atomistic mechanism of rapid hydrogen production from water by an aluminum cluster is investigated by ab initio molecular dynamics simulations on a parallel computer. A low activation-barrier mechanism of hydrogen production is found, in which a pair of Lewis acid and base sites on the cluster surface plays a cruc…
Doping for the environment: Electron paramagnetic resonance and X-ray photoelectron spectroscopy investigations prove—for the first time—that the proximity of surface F and surface/second layer B generates hole-trapping species responsible for a remarkable photocatalytic activity of rutile TiO2, even for low-surface-a…
The high-beta capability of the spherical tokamak, coupled with a suite of world-leading diagnostics on MAST, has facilitated significant improvements in the understanding of performance-limiting core instabilities in high performance plasmas. For instance, the newly installed motional Stark effect diagnostic, with ra…
Activation of LysR-type transcription factors (LTTRs) is thought to result from conformational changes that occur when inducer molecules bind to their Inducer Binding Domains (IBDs). However, the exact nature of these changes remains to be fully elucidated. We present the crystal structures of two truncated constructs…
A report is presented on the fabrication of light emitting diodes (LEDs) based on GaN core/shell wires on conductive substrates by metal organic vapour phase epitaxy. Catalyst-free GaN-based wires are grown spontaneously on 2-inch n-doped silicon substrates without any thick buffer layer. The LED wire heterostructure…
Here we generate silk-elastin-like protein (SELP) polymeric nanoparticles and demonstrate precise control over their dimensions using an electrospray differential mobility analyzer (ES-DMA). Electrospray produces droplets encompassing several polymer strands. Evaporation ensues, leading polymer strands to accumulate a…
The relaxed complex scheme, a virtual-screening methodology that accounts for protein receptor flexibility, was used to identify a low-micromolar, non-bisphosphonate inhibitor of farnesyl diphosphate synthase. Serendipitously, we also found that several predicted farnesyl diphosphate synthase inhibitors were low-micro…
New, solution processable organic semiconductors, namely arylene bisimides core- or N-functionalized with triarylamines have been synthesized in view of their potential application in organic electronics. In N-functionalized compounds the electrochemically determined oxidation potentials are 0.46 and 0.48 V vs Fc/Fc +…
The SG1-mediated copolymerization of methacrylic acid and a small percentage of sodium 4-styrenesulfonate was performed in water solution at 76 °C, using BlocBuilder as an alkoxyamine initiator under acidic conditions. Unexpectedly, these conditions, which could be considered as rather unfavorable due to the instabili…
A bead-probe lateral force microscopy (LFM) technique is used to characterize the interfacial friction and adhesion properties of polymer brushes. Our measurements attempt to relate the physical structure and chemical characteristics of the brush to their properties as thin-film, tethered lubricants. Brushes are synth…
The disruption of starch granular structure during dissolution in varying concentrations of N-methyl morpholine N-oxide (NMMO) has been studied using three maize starches with varying ratios of amylose and amylopectin. Behavior in NMMO has been characterized by differential scanning calorimetry (DSC), microscopy, rapi…
Implantation of Drug Eluting Stents (DES) is the most accepted technique currently available to treat cardiovascular blockages. First generation DES uses polymers for drug delivery which are nondegradable in nature and remains attached to stent surface lifetime. Biodegradable polymers have gained immense attention for…
The synthesis and properties of the phosphonium- and borate-bridged stilbenes are reported. The zwitterionic ladder stilbenes were synthesized by the intramolecular cascade cyclization from the phosphanyl- and boryl-substituted diphenylacetylenes 1 . The study of the substituent effects of the phosphanyl and boryl gro…
We combine molecular simulations and ab initio calculations to investigate the permeation and separation of CO 2 /N 2 in polymers of intrinsic microporosity (PIMs) with different functional groups (cyano, trifluoromethyl, phenylsulfone, and carboxyl). A robust equilibration protocol is proposed to construct model memb…
One gene can encode multiple protein functions because of RNA splice variants, gene fusions during evolution, promiscuous enzyme activities, and moonlighting protein functions. In addition to these types of multifunctional proteins, in which both functions are considered "normal" functions of a protein, some proteins…
Delivery of drugs into the cellular cytoplasm of target cells represents a major hurdle in treating various diseases. This challenge can be addressed by encapsulation of drugs onto or within nanoparticles, which can then be targeted to diseased cells. Here, needle-shaped particles are shown to exhibit substantially hi…
A factor of 4 dimensionless collisionality scan of H-mode plasmas in MAST shows that the thermal energy confinement time scales as . Local heat transport is dominated by electrons and is consistent with the global scaling. The neutron rate is in good agreement with the ν * dependence of τ E ,th . The gyrokinetic code…
In this study, antimicrobial packaging materials were developed by incorporating known concentrations ( w / w ) of essentials oils of oregano ( Origanum vulgare ) and thyme ( Thymus vulgaris ) into low-density polyethylene (LDPE), suitable for use as food packaging, via two different methods: ionizing treatment and di…
Hyperpolarization using parahydrogen can be more efficient when the reaction is carried out on a precursor that is then quickly transformed into the desired probe. The procedure was tested with [1-13C]succinate prepared from hydrogenation with parahydrogen of maleic anhydride followed by hydrolysis. This method also a…
Using ionic-liquid (IL) gating in electric-double-layer transistors (EDLTs), we investigate field-effect electrical transport properties of ultrathin epitaxial films of a topological insulator (TI), Bi(2)Te(3). Because of their extreme thinness, the Bi(2)Te(3) films show a band gap opening and resulting semiconducting…