Materials Literature
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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…
A computational study is presented of the structural, electronic, and magnetic properties of ${\mathrm{U}}_{3}$O${}_{8}$ and Np${}_{2}$O${}_{5}$, which are actinide oxides in a higher oxidation state than the tetravalent state of the common dioxide phases, UO${}_{2}$ and NpO${}_{2}$. The calculations are based on the…
We perform discrete-event molecular dynamics simulations of a system of particles interacting with a spherically-symmetric (isotropic) two-scale Jagla pair potential characterized by a hard inner core, a linear repulsion at intermediate separations, and a weak attractive interaction at larger separations. This model s…
Carbon nanotubes (CNTs) are very promising as carriers for the delivery of bioactive molecules. The multifunctionalization of CNTs is necessary to impart multimodalities for the development of future CNT-based multipotent therapeutic constructs. In this context, we report the first example of covalent trifunctionaliza…
Here we report on the triggering of antibacterial activity by a new type of silver nanoparticle coated with porous silica, Ag@silica, irradiated at their surface plasmon resonant frequency. The nanoparticles are able to bind readily to the surface of bacterial cells, although this does not affect bacterial growth sinc…
We describe a new regime of magnetotransport in two-dimensional electron systems in the presence of a narrow potential barrier. In such systems, the Landau level states, which are confined to the barrier region in strong magnetic fields, undergo a deconfinement transition as the field is lowered. Transport measurement…
In this study we analyzed the blood compatibility of bacterial cellulose (BC) as a new biosynthetic material for use as a vascular graft. As reference materials we used expanded polytetrafluoroethylene (ePTFE) and poly(ethylene terephthalate) (PET) vascular grafts. These materials are in clinical use today. Tubes with…
SUMMARY A novel halogen‐free and formaldehyde‐free flame retardant (FR), which contains phosphorus, nitrogen, and silicon, was synthesized for cotton fabrics considering the synergistic effect of phosphorus, nitrogen, and silicon. The structure of the new FR was characterized by Fourier‐trans‐form infrared spectroscop…
Silk fibroin films are promising materials for a range of biomedical applications. To understand the effects of casting solvents on film properties, we used water (W), formic acid (FA), and trifluoroacetic acid (TFA) as solvents. We characterized molecular weight, secondary structure, mechanical properties, and degrad…
We investigate graphene superlattices of nitrogen and boron substitutional defects. Using symmetry arguments and electronic structure calculations we show how such superlattices can be used to modify graphene band structure. Specifically, depending on the superlattice symmetry, the structures considered here can eithe…
We have measured the size dependence of a solid-solid phase transformation in discrete nanoscale volumes of vanadium dioxide (VO(2)) defined by split-ring resonators. By monitoring the in-coupling plasmonic mode while thermally cycling through the insulator-metal transition, we show that hysteresis width broadens with…