Materials Literature
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The mechanical response of a defective graphene layer to an ultrafast laser pulse is investigated through nonadiabatic molecular dynamics simulations. The defects are pentagon-heptagon pairs introduced by a single Stone-Wales transformation in the simulation cell. We found that when the fraction of excited electrons $…
The reaction between aquacobalamin, Cbl(H2O), and NO was studied at low pH. As previously reported, the final product of the reaction is the same as that obtained in the reaction of NO and reduced Cbl(H2O), viz. Cbl(NO-). Nevertheless, this reductive nitrosylation is preceded by a faster reaction (accompanied by small…
Abstract Single‐walled carbon nanotubes (SWNTs) produced by the arc‐discharge method using non‐magnetic catalysts were filled with Dy@C 82 endohedral metallofullerenes. Transport measurements were performed on (Dy@C 82 )@SWNT metallofullerene peapod samples in field‐effect transistor configuration at 4.2 K. After the…
A star is born: The Li26 cluster in the new intermetallic phase Li13Na29Ba19 can be described on the basis of a tetrahedral star (left) or four interpenetrating centered icosahedra (right). The M26 cluster is known from γ-brass and was predicted to be stable for Li in the gas phase. Li13Na29Ba19 contains the first exa…
Abstract Single Wall Carbon Nanotubes (SWNT) produced by “Super‐Growth” CVD technique show no evidence for non‐carbon impurities. At X‐Band frequencies an EPR signal from conduction electrons is observed at room temperature. At low temperatures the conduction electrons get trapped, leading to a sharp EPR signal with l…
Plasma-polymerized films deposited from AlAm, HxAm, NVP, NVFA, AA and FC were compared to TCPS and PS surfaces in supporting cellular attachment, viability, and proliferation in serum-based culture in vitro for extended periods of time (>7 d). Surface patterns were created using multi-step depositions with physical ma…
The thermal conductivity of all three disordered solid phases of ethyl alcohol has been measured. That for the orientationally disordered bcc phase is found to be remarkably close to that for the structurally amorphous solid, especially at low temperatures. The results, which emphasize the role of orientational disord…
Abstract Four para‐linked or meta‐linked cationic water‐soluble fluorene‐containing poly(aryleneethynylene)s (PAEs) were synthesized to investigate the solvent‐induced π‐stacked self‐assembly. These PAE backbones are composed of fluorenylene and phenylene units, which are alternatively linked by ethynylene bonds. UV–v…
A new pentanary rare-earth chalcogenide without substitutional disorder, KCaEr2CuS5, was obtained from reaction of the Er-Ca-Cu-S precursor with KBr flux by either a two-step flux method or a direct reaction of the mixture of the binary components (1Cu2S:2Er2S3:3CaS) with excess KBr as flux. KCaEr2CuS5 crystallizes in…
Supercooled liquid and glassy acetylsalicylic acid was studied using dielectric spectroscopy and deuteron relaxometry in a wide temperature range. The supercooled liquid is characterized by major deviations from thermally activated behavior. In the glass the secondary relaxation exhibits the typical features of a Joha…
Abstract Wall slip has been observed in a micro/nanometer gap during the past few years. It is difficult to make a mathematical analysis for the hydrodynamics of the fluid flowing in a gap with wall slip because the fluid velocity at the liquid–solid interface is not known a priori . This difficulty is met especially…
The dielectric properties of Ba(Mg 1/3 Nb 2/3 )O 3 (BMN)-substituted BaTiO 3 (BT) ( x BMN–(100− x )BT) ceramics, where x = 0–5 mol%, were prepared by a high-temperature solid-state reaction technique. It was found that the substitution of Mg 2+ and Nb 5+ at the Ti-site of the BMN–BT ceramics caused compositional inhom…
Novel surfaces derivatized with tertiary amine oxides have been prepared and tested for their ability to resist nonspecific protein adsorption. The oxidation of tertiary amines supported on triazine units was carried out using mCPBA to give a format allowing conjugation of biologically active ligands alongside them. A…
Abstract 5,5′,6,6′‐Tetrahydroxy‐3,3,3′,3′‐tetramethylspirobisindane was polycondensed with 1,4‐dicyanotetrafluorobenzene in four different solvents at 70 °C. In dimethylformamide, N ‐methylpyrrolidone, and sulfolane exclusively, cyclic polymers were detectable by matrix‐assisted laser desorption/ionization time‐of‐fli…
We study the four-point dynamic susceptibility chi4(t) obtained from Brownian dynamics computer simulations of the Kob-Andersen Lennard-Jones mixture. We compare the results of the simulations with qualitative predictions of the mode-coupling theory. In addition, we test an estimate of the four-point susceptibility re…
The structural, electronic, and magnetic properties of a ${\mathrm{Mn}}_{x}{\mathrm{Ge}}_{1\ensuremath{-}x}$ alloy prepared through room-temperature ion implantation ($100\phantom{\rule{0.3em}{0ex}}\mathrm{keV}$, $2\ifmmode\times\else\texttimes\fi{}{10}^{16}\phantom{\rule{0.3em}{0ex}}\text{ions}∕{\mathrm{cm}}^{2}$) an…
Durch den Liganden erzwungen: Der MnIII6CrIII-Komplex 1, aufgebaut aus zwei dreikernigen Mangan-Tripelsalen-Komplexen und einem Hexacyanidochromat, hat einen St=21/2-Spingrundzustand. Die durch den Tripelsalen-Liganden erzwungene dreizählige Symmetrie verhindert die vollständige Auslöschung der lokalen magnetischen An…
Aspartate-beta-semialdehyde dehydrogenase (ASADH) catalyzes a critical branch point transformation in amino acid bio-synthesis. The products of the aspartate pathway are essential in microorganisms, and this entire pathway is absent in mammals, making this enzyme an attractive target for antibiotic development. The fi…
We perform molecular simulations to study the self-assembly of block copolymer tethered cubic nanoparticles. Minimal models of the tethered nanoscale building blocks (NBBs) are utilized to explore the structures arising from self-assembly. We demonstrate that attaching a rigid nanocube to a diblock copolymer affects t…
We propose here a model for describing mesoscale relaxation mechanisms in soft thermoplastic elastomers, and also in the high-temperature regime of filled rubbers. The model is solved by dissipative particle dynamics. We study the response of these systems to deformations of various amplitudes and show that the system…