Materials Literature
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The process of experimental determination of protein structure is marred with a high ratio of failures at many stages. With availability of large quantities of data from high-throughput structure determination in structural genomics centers, we can now learn to recognize protein features correlated with failures; thus…
Experimental data on the structure of ferroelectric oxide Bismuth Titanate suggests two different kinds of structures i.e. orthorhombic and monoclinic. We have performed density functional theory (DFT) based first principle calculations to determine the ground state structure of bismuth titanate, based on experimental…
Rare-earth pnictides possess unique electronic and magnetic properties that make them interesting for both fundamental and practical reasons. We apply the quasiparticle self-consistent $GW$ $(\mathrm{QS}GW)$ method to the rare-earth metals Gd and Er and to the rare-earth monopnictides GdN, EuN, YbN, GdAs, and ErAs. $\…
We propose a dielectrophoresis model for phase-separated manganites. Without increase of the fraction of metallic phase, an insulator-metal transition occurs when a uniform electric field applied across the system exceeds a threshold value. Driven by the dielectrophoretic force, the metallic clusters reconfigure thems…
Red abalone nacre is an intensely studied biomineral, and yet its formation mechanism remains poorly understood. Here we report quantitative measurements probing the degree of order of the aragonite tablets in nacre, and show that order develops over a distance of about 50 microns. These observations indicate that the…
I review the microscopic spin-orbital Hamiltonian and ground state properties of spin one-half spinel oxides with threefold $t_{2g}$ orbital degeneracy. It is shown that for any orbital configuration a ground state of corresponding spin only Hamiltonian is infinitely degenerate in the classical limit. The extensive cl…
The high pressure phase diagram of CsC8 graphite intercalated compound has been investigated at ambient temperature up to 32 GPa. Combining X-ray and neutron diffraction, Raman and X- ray absorption spectroscopies, we report for the first time that CsC8, when pressurized, undergoes phase transitions around 2.0, 4.8 an…
It is shown that the nearest neighbor coupling between the carbon atoms is not enough to reproduce the phonon spectrum as observed in graphene, the second neighbor force constant is essential. For completeness we have rederived the phonon spectrum of one dimensional chains and two dimensional lattices like square latt…
The clinical need for improved blood vessel substitutes, especially in small-diameter applications, drives the field of vascular tissue engineering. The blood vessel has a well-characterized structure and function, but it is a complex tissue, and it has proven difficult to create engineered tissues that are suitable f…
Poly(hydroxybutyrate) (PHB)/layered silicate nanocomposites were prepared via melt extrusion. The nanostructure, as observed from wide-angle X-ray diffraction and transmission electron microscopy, indicates intercalated hybrids. The extent of intercalation depends on the amount of silicate and the nature of organic mo…
Cyclic carbonate monomers based on a single biocompatible scaffold allow for incorporation of a wide range of functional groups into macromolecules via ring-opening polymerization.
OBJECTIVE: Microparticles of iron oxide (MPIO) distort magnetic field creating marked contrast effects far exceeding their physical size. We hypothesized that antibody-conjugated MPIO would enable magnetic resonance imaging (MRI) of endothelial cell adhesion molecules in mouse atherosclerosis. METHODS AND RESULTS: MPI…
Improving the oral bioavailability of therapeutic compounds remains a challenging area of research. Polyamidoamine (PAMAM) dendrimers are promising candidates for oral drug delivery due to their well-defined compact structure, versatility of surface functionalities, low polydispersity, and ability to enhance transepit…
Dynamic light scattering (DLS) measures time-dependent fluctuations in the scattering intensity arising from particles undergoing random Brownian motion. Diffusion coefficient and particle size information can be obtained from the analysis of these fluctuations. This paper discusses the factors which will influence th…
This review presents an overview of 1 → 2 branched dendrimers and dendrons, created by a divergent procedure, from their synthesis to modern day applications. The first members of this branched class of fractal macromolecules were prepared through a cascade synthesis, which was later replaced by the iterative divergen…
This paper extends the scope of semi-empirical bond constraint theory, (SEBCT) and uses this extension to provide quantitative insights into the atomic scale bonding interactions for the two transitions that bracket intermediate phases (IPs) in binary and ternary alloys. Reversibility windows have usually been defined…
Abstract A new phosphor, Cd 2 Ge 7 O 16 :Mn 2+ , which emits orange‐coloured long‐lasting phosphorescence upon UV light excitation, was prepared by the conventional high‐temperature solid‐state method and its luminescent properties were systematically investigated. X‐ray diffraction, photoluminescence and thermolumine…
A synchrotron x-ray diffraction study of the crystallographic structure of $\mathrm{Pr}{\mathrm{O}}_{2}$ in the Jahn-Teller distorted phase is reported. The distortion of the oxygen sublattice, which was previously ambiguous, is shown to be a chiral structure in which neighboring oxygen chains have opposite chiralitie…
The kinetic inertness of the hexaaquachromium(III) (kH2O=2.4x10(-6) s(-1)) has led to challenges with respect to incorporating CrIII ions into Prussian blue-type materials; however, hexakis(acetonitrile)chromium(III) was shown to be substantially more labile (approximately 10(4) times) and enables a new synthetic rout…
The Pr ions in $\mathrm{Pr}{\mathrm{O}}_{2}$ have a $4{f}^{1}$ configuration with a large orbital momentum and are placed in a strong crystalline field from the oxygen ions. Consequently, orbital effects dominate the magnetic properties of the system. At $120\phantom{\rule{0.3em}{0ex}}\mathrm{K}$, there is a transitio…