Materials Literature
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The precipitation kinetics of the metastable calcium sulfate hemihydrate (HH) from aqueous solutions has seldom been addressed. For the first time, the nucleation kinetics of calcium sulfate (probably in α-HH form) in concentrated CaCl 2 solutions at 90 °C and the effect of Mg 2+ ions were investigated by spontaneous…
We report in this article the synthesis of a series of mixed poly( tert -butyl acrylate) (P t BA)/polystyrene (PS) brushes with P t BA number-average molecular weight ( M n ) being fixed at 24.5 kDa and PS M n ranging from 14.8 to 30.4 kDa on 160 nm silica particles and the study of their microphase separation behavio…
We develop a model to describe the properties of random assemblies of polydisperse hard spheres. We show that the key features to describe the system are (i) the dependence between the free volume of a sphere and the various coordination numbers between the species and (ii) the dependence of the coordination numbers w…
A molecular level analysis of segmental trajectories obtained from molecular dynamics simulations is used to obtain the full relaxation time spectrum in aging polymer glasses subject to three different deformation protocols. As in experiments, dynamics can be accelerated by several orders of magnitude, and a narrowing…
We present symmetry properties of the lattice vibrations of graphene nanoribbons with pure armchair (AGNRs) and zigzag edges (ZGNRs). In nonsymmorphic nanoribbons, the phonon modes at the edge of the Brillouin zone are twofold degenerate whereas the phonon modes in symmorphic nanoribbons are nondegenerate. We identifi…
We have developed a robust technique to fabricate monodispersed solid and porous ceramic particles and capsules from single and double emulsion drops composed of silsesquioxane preceramic polymer. A microcapillary microfluidic device was used to generate the monodispersed drops. In this device, two round capillaries a…
Small-angle scattering (SAS) of X-rays and neutrons reveals low-resolution structures of biological macromolecules in solution. With the recent experimental and methodological advances, SAS became a unique tool for characterising biological systems. The method covers an extremely broad range of molecule sizes (from a…
The molecular and dissociative adsorption of O 2 on pure odd-size Au n ( n = 1, 3, 5, 7, 9) clusters and Au n with a coadsorbed C 2 H 4 molecule has been studied theoretically using density functional theory. It is demonstrated that catalytic activation of the adsorbed O 2 on pure gold clusters in the considered size…
Size and support effects in the oxidative decomposition of methanol on amorphous alumina supported subnanometer palladium clusters were studied under realistic reaction conditions of pressure and temperature. The smaller Pd 8−12 clusters were found to promote the decomposition channel to CO and hydrogen, however with…
PURPOSE: Dendrimeric polyguanidilyated translocators (DPTs) are nanosized novel dendrimers that efficiently translocate molecules across biological barriers. The purpose of this study was to develop a DPT that could serve as an ophthalmic delivery vehicle for gatifloxacin and to evaluate its in vitro and in vivo deliv…
The Ni1+/Ni2+ states of nickelates have the identical (3d(9)/3d(8)) electronic configuration as Cu2+/Cu3+ in the high temperature superconducting cuprates, and are expected to show interesting properties. An intriguing question is whether mimicking the electronic and structural features of cuprates would also result i…
Manganese oxide octahedral molecular sieves (OMS) are important materials in environmental chemistry, electrochemistry, and heterogeneous catalysis. Here, a rapid process to prepare cryptomelane-type octahedral molecular sieve (OMS-2) nanomaterials using a microwave assisted hydrothermal technique (MW-HT) is presented…
Abstract Flexible polyurethane foams are widely used in many industrial applications, such as upholstered furniture and mattresses, automotive applications, etc. The chemical nature of the polyurethane, the low density, the high air permeability, and the open cell structure cause this material to be highly flammable.…
The present review deals with the preparation and the properties of star-shaped conjugated compounds. Three, four or six conjugated arms are attached to cross-conjugated cores, which consist of single atoms (B, C+, N), benzene or azine rings or polycyclic ring systems, as for example triphenylene or tristriazolotriazi…
Using first-principles calculations, we investigate the fluorination effect on zigzag boron nitride nanoribbons (ZBNNRs). We find that the fluorination is a practical route to induce half-metallicity in ZBNNRs. When the boron edge is two-fluorine terminated and the nitrogen edge is one-fluorine terminated, the ZBNNRs…
We investigate magnetotransport through graphene nanoribbons as a function of gate and bias voltage, and temperature. We find that a magnetic field systematically leads to an increase in the conductance on a scale of a few tesla. This phenomenon is accompanied by a decrease in the energy scales associated to charging…
An asymmetric alignment of electron-donating (D) and accepting (A) aromatics is a formidable challenge in the self-assembly of aromatic stacks because self-assembled aromatic stacks usually give alternating aromatic arrays, D-A-D-A-.... Here, we show that appropriate D-A guest pairs settle down in an electron-deficien…
Introduction of engineered nanoparticles (ENPs) into traditional surface coatings (e.g., paints, lacquers, fillers) may result in new exposures to both workers and consumers and possibly also a new risk to their health. During finishing and renovation, such products may also be a substantial source of exposure to ENPs…
Photochromic nucleosides were designed that combine the structural features and molecular recognition properties of nucleic acids with the light-sensitivity of diarylethenes. Target compounds 1a-c consist of a 7-deazaadenosine unit that is linked to a thiophene as the second aryl functionality via a 1,2-cyclopentenyl…
Local magnetic measurements are used to quantitatively characterize heterogeneity and flux line pinning in ${\text{PrFeAsO}}_{1\ensuremath{-}y}$ and NdFeAs(O,F) superconducting single crystals. In spite of spatial fluctuations of the critical current density on the macroscopic scale, it is shown that the major contrib…