Materials Literature
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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…
Abstract By injecting a liquid aerosol precursor directly into a non‐equilibrium atmospheric pressure plasma (APP), a controlled, free‐radical‐induced polymerisation reaction can be initiated with minimal fragmentation of the precursor molecules. This can be used to chemically graft highly complex chemical functionali…
A gene that codes for a novel intracellular poly-3-hydroxybutyrate (PHB) depolymerase has now been identified in the genome of Bacillus thuringiensis subsp. israelensis ATCC 35646. This gene, previously annotated as a hypothetical 3-oxoadipate enol-lactonase (PcaD) gene and now designated phaZ, encodes a protein that…
Hydrothermal synthesis of Mn doped anatase (TiO2) nanoparticles using scrolled nanotubes of TiO2 and MnCl2 as the starting materials is described. Incorporation of Mn2+ ions on the substitutional sites was confirmed using X-ray absorption fine structure (FT-XAFS) while the oxidation state Mn(II) and coordination envir…
This paper reports on specific open and interconnected CO(2) foams of poly(L-lactic acid). The effect of varying gas concentration and hence physical changes induced by CO(2) has been investigated and thus used to generate specific structures. The developed morphologies have a skin core structure with larger pores in…
A large variety of natural and synthetic polymers have been explored as scaffolds for the seeding and growth of different types of cells. To fabricate a scaffold that can be used as a synthetic extracellular matrix (ECM), it is important to replicate the nanoscale dimensions of natural ECM. The electrospinning process…
The effect of acetic acid on the corrosion behavior of X 65 and C 1018 carbon steel in vapor-water two-phase stratified flow (Vsg: 2 m/s; Vsl: 0.1 m/s) at 2 bars total pressure, 1.54 bars CO2 partial pressure, pH 5.5, and 80°C was studied in a low pressure-high temperature multiphase flow horizontal loop using electro…
This paper presents a numerical study of the dynamic self-assembly of neutrally buoyant particles rotating in a plane in a viscous fluid. The particles experience simultaneously a magnetic torque that drives their individual spinning motion, a magnetic attraction toward the center of the domain, and flow-induced inter…
Evolution of internal concentration profiles of methanol in 2-D pore structure of ferrierite crystal was measured in the pressure range of 0 to 80 mbar with the help of the recently developed interference microscopy technique. The measured profiles showed that both a surface barrier and internal diffusion controlled t…
The adhesion of bacteria to metal oxide and other mineral surfaces may involve bacterial siderophores, many of which contain hydroxamic acid (Ha) ligands. The adsorption behavior of the siderophore-related ligands acetohydroxamic acid, N-methylformohydroxamic acid, N-methylacetohydroxamic acid, and 1-hydroxy-2-piperid…
The time evolution of the growth process of vertically aligned single-walled carbon nanotubes (or V-SWNTs) on a flat substrate was examined by scanning electron microscopy (SEM), resonant Raman spectroscopy, and angle-resolved X-ray absorption near-edge structure (XANES). This detailed characterization gives evidence…
Multilayer assemblies of polyelectrolytes, for protein immobilization, have been created within the membrane pore domain. This approach was taken for two reasons: (1) the high internal membrane area can potentially increase the amount of immobilized protein, and (2) the use of convective flow allows uniform assembly o…