Materials Literature
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The intercalation of DNA into layered double hydroxides (LDHs) has various applications, including drug delivery for gene therapy and origins of life studies. The nanoscale dimensions of the interlayer region make the exact conformation of the intercalated DNA difficult to elucidate experimentally. We use molecular dy…
The purpose of this study was to synthesize biocompatible polyvinylpyrrolidone (PVP)-coated iron oxide (PVP-IO) nanoparticles and to evaluate their efficacy as a magnetic resonance imaging (MRI) contrast agent. The PVP-IO nanoparticles were synthesized by a thermal decomposition method and characterized by x-ray diffr…
Abstract PIB derivatives such as PIBSAs and the corresponding PIBSIs characterized by different contents of functional groups were prepared. They showed luminescence both in their neat form and in heptane solution when the amount of functional groups per polymer chain was higher than a critical value. This behavior is…
Surface modification of biomaterials is a way to tailor cell responses whilst retaining the bulk properties. In this work, chitosan membranes were prepared by solvent casting and treated with nitrogen or argon plasma at 20 W for 10-40 min. AFM indicated an increase in the surface roughness as a result of the ongoing e…
Abstract Ihre große spezifische Oberfläche und ihre physikochemischen Eigenschaften machen poröse Kohlenstoffmaterialien für viele Anwendungen interessant. Die konventionellen Herstellungsmethoden liefern jedoch nur uneinheitlich poröse Materialien, deren Porengrößenverteilungen, ganz zu schweigen von den Mesostruktur…
We employ reduced density-matrix functional theory in the calculation of the fundamental gap of open-shell systems. The formula for the calculation of the fundamental gap is derived with special attention to the spin of the neutral and the charged systems. We discuss the effects of different functionals as well as the…
I show that the so-called causality paradox of time-dependent density functional theory arises from an incorrect formulation of the variational principle for the time evolution of the density. The correct formulation not only resolves the paradox in real time, but also leads to a new expression for the causal exchange…
We propose that there exists a generic class of glass forming systems that have competing states (of crystalline order or not) which are locally close in energy to the ground state (which is typically unique). Upon cooling, such systems exhibit patches (or clusters) of these competing states which become locally stabl…
Spin precession and dephasing ("Hanle effect") provides an unambiguous means to establish the presence of spin transport in semiconductors. We compare theoretical modeling with experimental data from drift-dominated silicon spin-transport devices, illustrating the non-trivial consequences of employing oblique magnetic…
Two types of room temperature detectors of terahertz laser radiation have been developed which allow in an all-electric manner to determine the plane of polarization of linearly polarized radiation and the Stokes parameters of elliptically polarized radiation, respectively. The operation of the detectors is based on p…
We report results of investigations of the structural and transport properties of GaAs/Ga 1− x In x As/GaAs quantum wells (QWs) having a 0.5–1.8 monolayer (ML) thick Mn layer, separated from the QW by a 3 nm thick spacer. The structure has hole mobility of about 2000 cm 2 (V s) −1 , being by several orders of magnitud…
In the present paper, a new spirobenzopyran derivative was synthesized and applied in simultaneously colorimetric and fluorescence ratiometric detections of Cu2+. In contrast to the virtually photochromic character of the common spirobenzopyrans in most organic solvents, this spirobenzopyran is colorless in organic aq…
Abstract Biocompatible and green luminescent monodisperse silver/phenol formaldehyde resin core/shell spheres with controllable sizes, in the range of 180 to 1000 nm, and interesting architectures (centric, eccentric, and coenocytic core/shell spheres) have been synthesized by a facile one‐step hydrothermal approach.…
Fe(3)O(4)@SiO(2) core-shell structure nanoparticles were first prepared and characterized by TEM, FTIR, XPS and XRD. Subsequently the widely used anticancer agent doxorubincin (DOX) was successfully grafted to the surface of the core-shell nanoparticles via an amide bond with the aid of a spacer arm we synthesized. Th…
Carbon nanotubes comprise a class of nanomaterials having demonstrated promise for broad ranges of potential applications. Because of difficulties associated with quantifying these materials in environmental media, however, their behaviors therein and associated potential risks are yet largely unknown. To address this…
The electronic structure, bonding and magnetism in graphene containing vacancies are studied using density-functional methods. The single-vacancy graphene ground state is spin polarized and structurally flat. The unpolarized state is non planar only for finite segments. Systems containing periodic arrays of vacancies…
The electronic and lattice dynamical properties of compressed solid SiH$_{4}$ have been calculated in the pressure range up to 300 GPa with density functional theory. We find that structures having a layered network with eight-fold SiH$_{8}$ coordination favor metallization and superconductivity. SiH$_{4}$ in these la…
The adsorption of a metal monolayer or submonolayer for the systems Ag/Au(100), Au/Ag(100), Ag/Pt(100), Pt/Ag(100), Au/Pt(100), Pt/Au(100), Au/Pd(100) and Pd/Au(100) was studied by means of lattice Monte Carlo simulations, in the presence of surface defects.
Nanocatalysts that possess large amounts of atoms on sharp corners and edges and high indexed sites are known to be more catalytically active. We report here on a novel yet simple method to synthesize in large yields a very active platinum nanocatalyst; the multiarmed nanostar single crystal. We utilize a seed mediate…
As greater quantities of carbon nanotubes (CNTs) enter the environment, they will have an increasingly important effect on the availability and transport of aqueous contaminants. As a consequence of purification, deliberate surface functionalization, and/or exposure to oxidizing agents after release to the environment…