824 research outputs found
Water adsorption on amorphous silica surfaces: A Car-Parrinello simulation study
A combination of classical molecular dynamics (MD) and ab initio
Car-Parrinello molecular dynamics (CPMD) simulations is used to investigate the
adsorption of water on a free amorphous silica surface. From the classical MD
SiO_2 configurations with a free surface are generated which are then used as
starting configurations for the CPMD.We study the reaction of a water molecule
with a two-membered ring at the temperature T=300K. We show that the result of
this reaction is the formation of two silanol groups on the surface. The
activation energy of the reaction is estimated and it is shown that the
reaction is exothermic.Comment: 12 pages, 6 figures, to be published in J. Phys.: Condens. Matte
Silica nanowires templated by amyloid-like fibrils
Many peptides self-assemble to form amyloid fibrils. We previously explored the sequence propensity to form amyloid using variants of a designed peptide with sequence KFFEAAAKKFFE. These variant peptides form highly stable amyloid fibrils with varied lateral assembly and are ideal to template further assembly of non-proteinaceous material. Herein, we show that the fibrils formed by peptide variants can be coated with a layer of silica to produce silica nanowires using tetraethyl-orthosilicate. The resulting nanowires were characterized using electron microscopy (TEM), X-ray fiber diffraction, FTIR and cross-section EM to reveal a nanostructure with peptidic core. Lysine residues play a role in templating the formation of silica on the fibril surface and, using this library of peptides, we have explored the contributions of lysine as well as arginine to silica templating, and find that sequence plays an important role in determining the physical nature and structure of the resulting nanowires
Meningococcemia in a patient coinfected with hepatitis C virus and HIV.
We describe the first reported case of meningococcemia in a patient coinfected with hepatitis C virus and HIV. Hypocomplementemia secondary to hepatic dysfunction may have enhanced the patient's susceptibility to meningococcal infection
A provisional database for the silicon content of foods in the United Kingdom
Si may play an important role in bone formation and connective tissue metabolism. Although biological interest in this element has recently increased, limited literature exists on the Si content of foods. To further our knowledge and understanding of the relationship between dietary Si and human health, a reliable food composition database, relevant for the UK population, is required. A total of 207 foods and beverages, commonly consumed in the UK, were analysed for Si content. Composite samples were analysed using inductively coupled plasma–optical emission spectrometry following microwave-assisted digestion with nitric acid and H2O2. The highest concentrations of Si were found in cereals and cereal products, especially less refined cereals and oat-based products. Fruit and vegetables were highly variable sources of Si with substantial amounts present in Kenyan beans, French beans, runner beans, spinach, dried fruit, bananas and red lentils, but undetectable amounts in tomatoes, oranges and onions. Of the beverages, beer, a macerated whole-grain cereal product, contained the greatest level of Si, whilst drinking water was a variable source with some mineral waters relatively high in Si. The present study provides a provisional database for the Si content of UK foods, which will allow the estimation of dietary intakes of Si in the UK population and investigation into the role of dietary Si in human health.<br /
Molecular dynamics simulation of nanocolloidal amorphous silica particles: Part II
Explicit molecular dynamics simulations were applied to a pair of amorphous
silica nanoparticles of diameter 3.2 nm immersed in a background electrolyte.
Mean forces acting between the pair of silica nanoparticles were extracted at
four different background electrolyte concentrations. Dependence of the
inter-particle potential of mean force on the separation and the silicon to
sodium ratio, as well as on the background electrolyte concentration, are
demonstrated. The pH was indirectly accounted for via the ratio of silicon to
sodium used in the simulations. The nature of the interaction of the
counter-ions with charged silica surface sites (deprotonated silanols) was also
investigated. The effect of the sodium double layer on the water ordering was
investigated for three Si:Na+ ratios. The number of water molecules trapped
inside the nanoparticles was investigated as the Si:Na+ ratio was varied.
Differences in this number between the two nanoparticles in the simulations are
attributed to differences in the calculated electric dipole moment. The
implications of the form of the potentials for aggregation are also discussed.Comment: v1. 33 pages, 7 figures (screen-quality PDF), submitted to J. Chem.
Phys v2. 15 pages, 4 tables, 6 figures. Content, author list and title
changed; single space
Simultaneous Measurement of Normal and Friction Forces Using a Cantilever-Based Optical Interfacial Force Microscope
We measured normal and friction forces simultaneously using a recently developed cantilever-based optical interfacial force microscope (COIFM) technique for studies of interfacial structures and mechanical properties of nanoscale materials. We derived how the forces can be incorporated into the detection signal using the classical Euler equation for beams. A lateral modulation with the amplitude of one nanometers was applied to create the friction forces between tip and sample. We demonstrated its capability by measuring normal and friction forces of interfacial water at the molecular scale over all distance ranges
Structure of nanoparticles embedded in micellar polycrystals
We investigate by scattering techniques the structure of water-based soft
composite materials comprising a crystal made of Pluronic block-copolymer
micelles arranged in a face-centered cubic lattice and a small amount (at most
2% by volume) of silica nanoparticles, of size comparable to that of the
micelles. The copolymer is thermosensitive: it is hydrophilic and fully
dissolved in water at low temperature (T ~ 0{\deg}C), and self-assembles into
micelles at room temperature, where the block-copolymer is amphiphilic. We use
contrast matching small-angle neuron scattering experiments to probe
independently the structure of the nanoparticles and that of the polymer. We
find that the nanoparticles do not perturb the crystalline order. In addition,
a structure peak is measured for the silica nanoparticles dispersed in the
polycrystalline samples. This implies that the samples are spatially
heterogeneous and comprise, without macroscopic phase separation, silica-poor
and silica-rich regions. We show that the nanoparticle concentration in the
silica-rich regions is about tenfold the average concentration. These regions
are grain boundaries between crystallites, where nanoparticles concentrate, as
shown by static light scattering and by light microscopy imaging of the
samples. We show that the temperature rate at which the sample is prepared
strongly influence the segregation of the nanoparticles in the
grain-boundaries.Comment: accepted for publication in Langmui
Isolation of a wide range of minerals from a thermally treated plant: Equisetum arvense, a Mare’s tale
Silica is the second most abundant biomineral being exceeded in nature only by biogenic CaCO3. Many land plants (such as rice, cereals, cucumber, etc.) deposit silica in significant amounts to reinforce their tissues and as a systematic response to pathogen attack. One of the most ancient species of living vascular plants, Equisetum arvense is also able to take up and accumulate silica in all parts of the plant. Numerous methods have been developed for elimination of the organic material and/or metal ions present in plant material to isolate biogenic silica. However, depending on the chemical and/or physical treatment applied to branch or stem from Equisetum arvense; other mineral forms such glass-type materials (i.e. CaSiO3), salts (i.e. KCl) or luminescent materials can also be isolated from the plant material. In the current contribution, we show the chemical and/or thermal routes that lead to the formation of a number of different mineral types in addition to biogenic silica
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