Materials Literature
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PURPOSE: In vivo evaluation of good manufacturing practice-grade targeted liposomal doxorubicin (TVT-DOX), bound to a CD13 isoform expressed on the vasculature of solid tumors, in human tumor xenografts of neuroblastoma, ovarian cancer, and lung cancer. EXPERIMENTAL DESIGN: Mice were implanted with lung, ovarian, or n…
The Protein Structure Initiative Structural Genomics Knowledgebase (PSI SGKB, http://kb.psi-structuralgenomics.org) has been created to turn the products of the PSI structural genomics effort into knowledge that can be used by the biological research community to understand living systems and disease. This resource pr…
We study the feasibility of the alkali-metal (AM = Li, Na, K)-doped B 80 fullerenes for hydrogen storage using first-principles calculations. It is found that the AM atoms are strongly attached at the centers of the pentagons of the B 80, forming B 80 AM m complexes (1 ≤ m ≤ 12). This bonding can be attributed to the…
Dehydration of the Prussian blue analogues CsNi[Cr(CN)(6)] x 2 H(2)O (1) and Cr(3)[Cr(CN)(6)](2) x 10 H(2)O (2) affords two new microporous magnets: CsNi[Cr(CN)(6)] (1d) and Cr(3)[Cr(CN)(6)](2) x 6 H(2)O (2d). Compounds 1d and 2d maintain the Prussian blue structure, and N(2) adsorption measurements at 77 K show them…
Recent experimental and theoretical studies of the magnetoelectric (ME) effect in the nanocomposite structures and in laminates show an enhanced ME coefficient. These materials combine piezoelectric properties of the paramagnetic phase and piezomagnetic properties of the magnetic phase. We propose to fabricate heteros…
The nucleation and growth of palladium clusters supported on anatase TiO 2 (101) surface has been studied using periodic supercell models and density functional theory. The most active site for single Pd adatom on the perfect TiO 2 (101) surface is the bridge site formed by two two-coordinated oxygen (2cO) atoms at th…
The supramolecular interactions are of importance for inducing the molecular orientation and constructing functional materials with high performance. In this manuscript we report uniaxially oriented molecular crystal of a cyano substituted oligo( p -phenylene vinylene) 1,4-bis(α-cyano-4-diphenylaminostyryl)-2,5-diphen…
The kinetics and microstructure of solid-phase crystallization under continuous heating conditions and random distribution of nuclei are analyzed. An Arrhenius temperature dependence is assumed for both nucleation and growth rates. Under these circumstances, the system has a scaling law such that the behavior of the s…
Welding nanocrystals for assembly: The welding of Au domains grown on the tips of shape-controlled cadmium chalcogenide colloidal nanocrystals is used as a strategy for their assembly. Iodine-induced coagulation of selectively grown Au domains leads to assemblies such as flowerlike structures based on bullet-shaped na…
Shear banding is an important feature of flow in complex fluids. Essentially, shear bands refer to the coexistence of flowing and non-flowing regions in driven material. Understanding the possible sources of shear banding has important implications for a wide range of flow applications. In this regard, quasi-two dimen…
The direct synthesis of hydrogen peroxide on Pd and Pd/Au catalysts was investigated with first-principle DFT methods for periodic two-dimensional surfaces. A two-step reaction mechanism was proposed starting from a superoxo precursor state of the dioxygen molecule on Pd surface and its subsequent reaction with two hy…
The Kramers-Kronig relations between the real and imaginary parts of a response function are widely used in solid-state physics to evaluate the corresponding quantity if only one component is measured. They are among the most fundamental statements since only based on the analytical behavior and causal nature of the m…
RuO2·xH2O nanodots highly dispersed onto the surfaces of poly(sodium 4-styrene sulfonate) (PSS) functionalized multi-walled carbon nanotubes (FMWCNTs) were successfully synthesized via a polymer-assisted technique under mild hydrothermal conditions. Here, PSS served as a bifunctional molecule both for solubilizing and…
Ionogels are solid oxide host networks confining at a meso-scale ionic liquids, and retaining their liquid nature. Ionogels were obtained by dissolving lanthanide(III) complexes in the ionic liquid 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [C6mim][Tf2N], followed by confinement of the lanthanide-d…
We have investigated electronic band structure of a transparent conducting oxide, Nb-doped anatase TiO 2 (TNO), by means of first-principles band calculations and photoemission measurements. The band calculations revealed that Nb 4d orbitals are strongly hybridized with Ti 3d ones to form a d-nature conduction band, w…
We present results from an investigation of the oxidative conversion of ethanol into acetaldehyde on Au(111) employing temperature-programmed desorption (TPD) and molecular beam reactive scattering (MBRS). Results from isotopic experiments show that ethanol initially undergoes O−H bond cleavage (producing ethoxide) fo…
We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of many-body perturbation theory, such as the Hartree-Fock and GW approximations for the electronic self-energy or the random-phase approxima…
Experimental measurements of the residual resistivity $ρ(x)$ of the binary alloy system Fe$_{1-x}$Cr$_x$ have shown an anomalous concentration dependence which deviates significantly from Nordheim's rule. In the low ($x < 10%$) Cr concentration regime the resistivity has been found to increase linearly with $x$ until…
In order to study the vortex pinning determined by artificially introduced pinning centers in the small-vortex displacement regime, we measured the microwave surface impedance at 47.7 GHz in the mixed state of YBa$_{2}$Cu$_{3}$O$_{7-δ}$ thin films, where sub-micrometric BaZrO$_3$ particles have been incorporated. As a…
We present here a comprehensive investigation of the magnetic ordering in Ni 50 Mn 35 In 15 composition. A concomitant first order martensitic transition and the magnetic ordering occurring in this off-stoichiometric Heusler compound at room temperature signify the multifunctional character of this magnetic shape memo…