Materials Literature
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Abstract Microencapsulated ammonium polyphosphate (MMT‐MF‐APP) with a montmorillonite‐melamine formaldehyde resin coating layer was successfully prepared by in situ polymerization. The product was characterized by Fourier‐transform infrared, X‐ray photoelectron spectroscopy, and scanning electron microscopy. Water abs…
A distinct class of the biologically important subtilisin family of serine proteases functions exclusively within the cell and forms a major component of the bacilli degradome. However, the mode and mechanism of posttranslational regulation of intracellular protease activity are unknown. Here we describe the role play…
Periodate oxidation of carbohydrates with vicinal hydroxyl groups and aromatic ortho-dihydroxyphenyl groups has been employed extensively to initiate crosslinking or conjugation reactions in adhesive biomaterials. Periodate forms stable tridentate complexes with carbohydrates containing three appropriately configured…
Extensive all-atom molecular dynamics simulations have been performed to investigate the effect of surface features on the adsorption of poly(styrenesulfonate) (PSS) oligomers on top of a modified graphite substrate. In particular, we have investigated hydrophilic and hydrophobic model surfaces, accompanied by a varia…
The interaction of atomic and molecular oxygen with ${\mathrm{MnO}}_{2}$- and La(Sr)O-terminated (001) surfaces of Sr-doped ${\mathrm{LaMnO}}_{3}$ has been studied using the B3LYP hybrid exchange-correlation functional within the framework of density functional theory (DFT). Using the obtained binding energies in conj…
Phase behavior of blends of two AB diblock copolymers, with the long one at relatively strong segregation, is studied using the self-consistent field theory, focusing on the effect of compositions of the two block copolymers and their length ratio. In order to carry out extensive calculations on the large parameter sp…
Magnetotransmission measurements in magnetic fields in the range $B=20$--60 T have been performed to probe the $H$- and $K$-point Landau level transitions in natural graphite. At the $H$ point, two series of transitions, whose energy evolves as $\sqrt{B}$, are observed. A reduced Slonczewski-Weiss-McClure model with o…
We present a three-dimensional phenomenological model for the magneto-mechanical behavior of magnetic shape memory materials such as Ni 2 MnGa . Moving from micromagnetic considerations, we advance to some thermodynamically consistent constitutive relations describing the magnetically-induced cubic-to-tetragonal marte…
Inelastic x-ray scattering in grazing angle geometry provides a novel tool for studying the surface and bulk lattice dynamics in a single experiment by varying the incidence angle around the critical angle of total reflection. At very small incidence angles (below the critical angle), it is possible to study the colle…
The self-assembly and self-organization behavior of chromophoric acetylenic scaffolds bearing 2,6-bis(acetylamino)pyridine (1, 2) or uracyl-type (3-9) terminal groups has been investigated by photophysical and microscopic methods. Systematic absorption and luminescence studies show that 1 and 2, thanks to a combinatio…
The syntheses are reported for two novel Tb(3+) heterotrimetallic cyanometallates, K(2)[Tb(H(2)O)(4)(Pt(CN)(4))(2)]Au(CN)(2)·2H(2)O (1) and [Tb(C(10)N(2)H(8))(H(2)O)(4)(Pt(CN)(4))(Au(CN)(2))]·1.5C(10)N(2)H(8)·2H(2)O (2) (C(10)N(2)H(8) = 2,2'-bipyridine). Both compounds have been isolated as colorless crystals, and sin…
We present an atomistic simulation study on the size dependence of dopant distribution and the influence of nanoscale film thickness on carrier transport properties of the model oxide-ion conductor yttria stabilized zirconia (YSZ). Simulated amorphization and recrystallization approach was utilized to generate YSZ fil…
The vascular media, a layer of the blood vessel wall containing smooth muscle cells (SMCs), are often the target functional tissue in the construction of artificial vessel. It contributes to mechanical properties and biological functions of vessels. The present study aimed to study effects of crosslinking and biomolec…
Mechanisms for growth on the rutile (110) surface were investigated using a combination of ab initio, variable charge classical molecular dynamics and kinetic Monte Carlo (KMC) methods. Ab initio calculations were performed to determine relevant energy barriers, and these were used to parametrize a variable charge cla…
A series of new 1,4,7,10-tetraazacyclododecane-derivatives having a combination of amide and ketone donor groups as side-arms were prepared, and their complexes with europium(III) studied in detail by high resolution NMR spectroscopy. The chemical shift of the Eu(3+)-bound water resonance, the chemical exchange satura…
Polystyrene (PS) brushes on Fe 3 O 4 nanoparticles were prepared by reversible addition−fragmentation chain transfer (RAFT) polymerization, and after reduction reaction PS brushes with terminal thiol groups (HS−PS−Fe 3 O 4 NPs) were obtained. Citrate-stabilized gold nanoparticles (AuNPs) were prepared in aqueous solut…
The post-perovskite (pPv) is the high-pressure phase of some highly distorted perovskites. The pPv phase of MgSi${O}_{3}$ stabilized under 125 GPa and 2000 K cannot be quenched to ambient pressure. In contrast, the pPv CaIr${O}_{3}$ can be synthesized under a modest pressure or even at ambient pressure. However, the p…
The initial dissolution stages following implantation of a biomaterial in a physiological environment are critical for its bioactive properties. Car–Parrinello molecular-dynamics (CPMD) simulations of the interface between the 45S5 bioglass surface and liquid water have been carried out to investigate these processes.…
We study the reflection properties of squeezing devices based on transformation optics. An analytical expression for the angle-dependent reflection coefficient of a generic three-dimensional squeezer is derived. In contrast with previous studies, we find that there exist several conditions that guarantee no reflection…
Here we report the influence of the nanocrystal size and the solvent on the growth of supracrystal made of gold nanocrystals. These parameters may determine the final morphology of nanocrystals assemblies with either a layer-by-layer growth or a process of nucleation in solution. Experiments supported by simulations d…