Materials Literature
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The maximal therapeutic doses of the cytostatic drug doxorubicin (DOX) are strictly limited by the development of systemic toxicity, especially cardiotoxicity. The inhibition of DOX-metabolizing enzymes within cancer cells is possible strategy to improve DOX efficacy. In breast cancer cells (MCF7), DOX is effectively…
Triethoxysilyl functionalized phenothiazinyl ureas were synthesized and immobilized by in situ synthesis into mesoporous hybrid materials. The designed precursor molecules influence the structure of the final materials and the intermolecular distance of the phenothiazines. XRD and N(2) adsorption measurements indicate…
Single-crystal x-ray diffraction from clathrate-II Na(x)Si(136) (x = 24) prepared by a new technique reveals the exceptionally large Na@Si(28) atomic displacement parameter (U(eq)) is strongly temperature dependent, and can be attributed to low-energy rattling modes associated with the Na guest. Inelastic neutron scat…
The Gay-Berne (GB) potential has been a popular semiempirical model for describing the short-range intermolecular forces for a wide variety of aspherical molecules, including liquid crystals and anisotropic colloids, with generally small molecular dimensions and low aspect ratios (<5). This study evaluates the paramet…
We study the interplay between the fluid-crystal transition and the glass transition of elastic sphere system with polydispersity using nonequilibrium molecular dynamics simulations. It is found that the end point of the crystal-fluid transition line, which corresponds to the critical polydispersity above which the cr…
The ability to disperse and, hence, manipulate single-walled carbon nanotubes is critical for their use in organic photovoltaic devices, either as a transparent electrode or as an electron acceptor material. We present data to quantify the physical interaction of single wall carbon nanotubes (SWCNTs) with two soluble…
The size effect of nano-grain BaTiO 3 ceramics has been studied in this paper. We assume that the surface charge does not fully compensate long-range Coulomb interaction, so that 180 degree nano-domains still exists in small BaTiO 3 particles. We have calculated the long-range interaction in BaTiO 3 nanocrystals with…
The solubilities of amino acid, 2,4-dinitro- l -phenylalanine in monosolvents water, methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, ethyl acetate, and 1,2-dichloroethane were measured from (273.15 to 368.15) K at atmospheric pressure using the synthetic method. The solubility was determined…
This paper analyzes the axial flux and the corresponding eddy currents inside the laminated cores of a large-sized squirrel-cage induction motor running under the steady-state operation in order for possible optimum design of large-sized induction motors used in industry. The analysis was based on a complete 3-D numer…
This article proposes a new approach to the loss separation issue. The conventional loss separation into three components is abandoned. The dependence of the dynamic component of loss density versus frequency is assumed to be a power law. The model is verified for selected samples of nonoriented and grain-oriented ste…
Germanium (Ge) nanowires were produced in solution by supercritical fluid-liquid-solid (SFLS) growth and then functionalized with carboxylic acid groups by in situ thermal thiolation with mercaptoundecanoic acid. Polyethylene glycol (PEG) was grafted to the carboxylic acid-terminated Ge nanowires using carbodiimide co…
We present an extension of the simple-cubic lattice model developed by Jorge et al. [ J. Am. Chem. Soc. 2005, 127, 14388] of nanoparticle growth in the clear solution synthesis of silicalite-1 (MFI). We have implemented the model on a body-center cubic (bcc) lattice with second-neighbor repulsions, to generate a four-…
Dentre os animais que vivem no solo, as minhocas figuram como um dos mais importantes, por serem engenheiras do ecossistema e realizarem vários serviços ambientais, incluindo o controle biológico, a decomposição da matéria orgânica, a ciclagem de nutrientes, a formação e a agregação do solo, fatores estes que afetam g…
Activity and selectivity of supported catalysts critically depend on transport and adsorption properties. Combining self-organized porous oxide films with different metal deposition techniques, we have prepared novel Pd/TiO(2) catalysts with a new level of structural control. It is shown that these systems make it pos…
The topology of the magnetic interactions of the copper spins in the nitrosonium nitratocuprate $(\text{NO})[\text{Cu}{({\text{NO}}_{3})}_{3}]$ suggests that it could be a realization of the Nersesyan-Tsvelik model [A. A. Nersesyan and A. M. Tsvelik, Phys. Rev. B 67, 024422 (2003)], whose ground state was argued to be…
We present molecular dynamics simulations of the binary Kob-Andersen Lennard-Jones model, a model glass former, and consider the distributions of inherent energies and metabasins during aging. In addition to the typical protocol of performing a temperature jump from a high temperature to a low destination temperature,…
The purpose of this paper is to investigate the dynamics of the fluorescence mechanism of boradiazaindacene (BODIPY) dye molecules, which are covalently bound to a polyethylene glycol based hydrogel structure with different concentrations, using a picosecond time-resolved spectroscopic technique. Since the hydrogel st…
The encapsulation of a nanometer-sized octahedral anionic rhenium cluster complex with six terminal hydroxo ligands [Re(6)S(8)(OH)(6)](4-) in maltose-decorated poly(propylene amine) dendrimers (POPAM, generation 4 and 5) has been investigated. Ultrafiltration experiments showed that maximal loading capacity of the den…
The piezoelectric response of BaTiO(3) is studied in the vicinity of the cubic to tetragonal phase transition, as a function of temperature and the applied electric field in the polar direction. We also investigate the influence of disorder. In the clean limit we obtain the divergence of the piezoelectric tensor at th…
We present a facile, broadly applicable method to prepare nanoporous silver films using soluble salt nanoparticles as pore templates. The fabrication starts by printing a silver/CaCO 3 nanoparticle based ink onto a flexible substrate and removing the CaCO 3 by washing in a weak acid. The membrane thickness and pore si…