Materials Literature
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A method is presented to automatically locate a crystal and its holder for centring on a goniometer spindle and alignment with an X-ray beam. Here, a novel algorithm that has been developed and tested with the images of users' crystals saved in an annotated database is described. The algorithm improves on the difficul…
A novel polymer-assisted solution approach is designed for the synthesis of flexible Ag/C coaxial nanocables via one-step reduction and carbonization under hydrothermal conditions. In the process, glucose acts as reducing agent and carbon source, and CCl 4 and poly(ethylene glycol) (PEG) are used in the system to cont…
Two new 3D NaCl-type frameworks of [M(pyrazine)2NO2]ClO4 (M = Co, Cu), consist of (4, 4) sheets of metal-pyrazine connected by mu(1,3)-nitrito, representing the first examples of mu(1,3)-nitrito bridges and exhibiting antiferromagnetism.
Dust particles with submicron radii have been observed in the scrape-off layer (SOL) and divertor region of DIII-D during normal plasma operation. The particles are observed via their relatively large cross section for Rayleigh scattering of the Nd : YAG laser used for Thomson scattering measurements of electron densi…
A straightforward way of measuring X-ray intensity fluctuation spectroscopy in a small-angle X-ray scattering configuration is demonstrated using heterodyne techniques. Two examples are presented: the Brownian motion of latex spheres in glycerol, and a Doppler velocity experiment demonstrating the motion and the relax…
Highly ordered mesoporous silica thin films have been prepared on silicon substrates by contacting PEO 106 −PPO 70 −PEO 106 (Pluronic F127) triblock copolymer films with hydrolyzed tetraethyl orthosilicate (TEOS) followed by calcination. 2D grazing angle of incidence small angle X-ray scattering (GISAXS) patterns anal…
ERK2, a prototypic member of the MAPK family, plays a central role in regulating cell growth and differentiation. MKP3, an ERK2-specific phosphatase, terminates ERK2 signaling. To understand the molecular basis of ERK2 recognition by MKP3, we carried out hydrogen/deuterium exchange mass spectrometry experiments to map…
Lyotropic liquid crystals (LLCs) have recently been employed as polymerization templates to yield highly ordered nanostructured hydrogels, which have shown promise in biological separations and tissue engineering. To allow greater control of hydrogel structure using LLC templates, this study focuses on the influence o…
We study such experimentally relevant characteristics of the Coulomb-interacting Dirac quasiparticles in disordered graphene as the quasiparticle width and density of states that can be probed by photoemission, magnetization, and tunneling measurements. We find that an interplay between the unscreened Coulomb interact…
Novel porous scaffolds were fabricated using biodegradable polylactide/chitosan blends. A combinational technique involving solvent-extracting, liquid-solid separation, and freeze-drying paths were employed. The processing parameters were optimized in order to produce desired porous scaffolds and thus obtained scaffol…
Suzuki couplings were used to efficiently introduce porphyrin, fluorene, and bithiophene chromophores on the surface of single-walled carbon nanotubes. The nanotube-bound chromophores imparted good solubility to the product and exhibited fluorescence quenching due to photoinduced electron transfer to the nanotubes.
We present an extensive set of isothermal-isobaric first-principles molecular-dynamics simulations of liquid silicon over a temperature range of 950-1700 K. We find that the tetrahedral order gradually grows upon cooling to approximately 1200 K, but that the growth accelerates significantly below approximately 1200 K.…
By kinetically controlled vapor-diffusion catalysis, nanostructured ZnO and Zn5(OH)8(NO3)3*2H2O thin films have been grown on substrates with different chemical compositions and varying degrees of crystallinity. The materials resulting from heterogeneous nucleation under mild conditions (starting from aqueous metal sa…
A novel method is presented for the automated recognition of cryocooled macromolecular crystals. The method uses several texture-based image-processing algorithms for automated crystal centring, which are able to cope with a variety of crystal morphologies and illumination conditions. The results combined from differe…
Abstract Brominated furanones are promising antibacterial compounds, both in solution and immobilized on solid surfaces, and there is interest in their utilization as protective coatings on biomedical devices to combat device‐centered infections. The rational design and optimization of antibacterial furanone coatings…
The structure and second-order nonlinear optical properties of a series of helical pyridine-pyrimidine oligomers recently synthesized by Barboiu and Lehn have been investigated theoretically by combining molecular mechanics and quantum chemistry approaches. In the absence of substituents, the hyper-Rayleigh scattering…
Helical polymers of isocyanotripeptides derived from alanine have been synthesized and their architectures studied in detail. The helical conformation of the polyisocyanotripeptides is stabilized by internal hydrogen-bonding arrays between the tripeptide side chains. The possibility of extending the well-defined hydro…
We propose a new concerted mechanism for the uncatalyzed hydrosilylation of terminal alkenes and alkynes, alternative to the conventional radical-based mechanism. Density functional calculations have been carried out on these and on previously proposed alternative mechanisms for the hydrosilylation of ethylene and ace…
The electron-transfer reduction of cup-stacked carbon nanotubes (CSCNTs) with sodium naphthalenide and the subsequent treatment with 1-iodododecane results in electrostatically destacking of CSCNTs to afford cup-shaped carbons with controlled diameter and size. The dodecylated cup-shaped carbons were highly dispersed…
Two different pyridoxal 5'-phosphate-containing l-threonine deaminases (EC 4.3.1.19), biosynthetic and biodegradative, which catalyze the deamination of l-threonine to alpha-ketobutyrate, are present in Escherichia coli and Salmonella typhimurium. Biodegradative threonine deaminase (TdcB) catalyzes the first reaction…