Materials Literature
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This paper is one of a series exploring simple approaches for the estimation of lattice energy of ionic materials, avoiding elaborate computation. The readily accessible, frequently reported, and easily measurable (requiring only small quantities of inorganic material) property of density, rho(m), is related, as a rec…
Thermal and photochemical reactions of nitroaquacobalt(III) tetraphenylporphyrin, (NO(2))(H(2)O)Co(III)TPP, have been investigated in toluene solutions containing triphenylphosphine, P phi(3). It is found that Pphi(3) thermally abstracts an oxygen atom from the NO(2) moiety of (NO(2))(H(2)O)Co(III)TPP with a rate cons…
A novel sol−gel process has been developed for the synthesis of amorphous silica−aluminas with controlled mesopore distribution without the use of organic templating agents, e.g., surfactant molecules. Ultrasonic treatment during the synthesis enables production of precursor sols with narrow particle size distribution…
Two different species of CdTe nanocrystals stabilized with thioacids or aminothiols have been prepared. These were used in order to build up a superstructure by covalent binding via an amide bond using water soluble carbodiimides acting as a mediating agent. The resulting structure has been characterized by UV/vis abs…
Researchers have recently questioned the role hydroxylated prolines play in stabilizing the collagen triple helix. To address these issues, we have developed new molecular mechanics parameters for the simulation of peptides containing 4(R)-fluoroproline (Flp), 4(R)-hydroxyproline (Hyp), and 4(R)-aminoproline (Amp). Si…
The new amphiphile 1,4-diketo-5-methyl-2-(11-undecyl sulfate sodium salt)-3-(4-chlor)phenyl-6-phenylpyrrolo-[3,4-c]-pyrrole ( Na-1 ) is described, carrying the diketopyrrolopyrrole chromophore in the hydrophobic part. An aqueous solution of Na-1 exhibits an orange color with an absorption maximum at 475 nm and a red-o…
Dynamic contact angle studies on self-assembled thin films from C 7 F 15 CH 2 OCH 2 CH 2 CH 2 SiCl 3 reveal a range of interesting behavior. Solution-based processing conditions have been identified that allow preparation of essentially monolayer films on quartz exhibiting water adv/rec contact angles of 119/104 ± 2°…
We present molecular dynamics simulations on 1,4-polybutadiene comparing the dynamics of melt chains between chemically realistic models and a freely rotating chain version of one of the models. These models exhibit the same liquid structure, as measured by the structure factor, and meso- to large-scale chain structur…
BACKGROUND: Although inhibition of neointimal hyperplasia by cell cycle gene blockade therapy results in improved endothelial cell function in experimental vein grafts, little is known either about endothelial healing immediately after vein grafting or about the effect of this therapy on the healing process. METHODS A…
The hydrothermal syntheses and single-crystal structures of BaTe3O7 and BaTe4O9 are reported. These closely related new phases, which can be regarded as the n = 3 and 4 members of the BaTenO2n+1 family, are built up from infinite, tubular, columns of Te/O polyhedra (6 ring loops for BaTe3O7 and 8 ring loops for BaTe4O…
The irradiation-induced transformation of diamond nanoparticles (DNP) to spherical onions and onion-like carbon was studied in situ by high-resolution transmission electron microscopy (HRTEM) and electron energy loss spectroscopy (EELS). The process was observed in a transmission electron microscope operated at 200 kV…
Abstract Transparent poly(ethyl acrylate) (PEA)/bentonite nanocomposites containing intercalated–exfoliated combinatory structures of clay were synthesized by in situ emulsion polymerizations in aqueous dispersions containing bentonite. The samples for characterization were prepared through direct‐forming films of the…
Linear porphyrin arrays self-assembled by either hydrogen bonding or metal ion coordination self-organize into lipid bilayer membranes. The length of the transmembrane assemblies is determined both by the thermodynamics of the intermolecular interactions in the supermolecule and by the dimension and physical chemical…
Poly(amidoamine) (PAMAM) dendrimer shell reagents possessing either nucleophilic (i.e., primary amines) or electrophilic (i.e., carboxymethyl esters) functional groups have been covalently assembled around appropriate electrophilic or nucleophilic dendrimer core reagents to produce partial shell filled/core-shell tect…
Porphyrins and fullerenes are spontaneously attracted to each other. This supramolecular recognition element can be exploited to produce ordered arrays of interleaved porphyrins and fullerenes. C(60) x H(2)TpyP x Pb(NO(3))(2) x 1.5TCE (H(2)TpyP = tetra-4-pyridylporphyrin; TCE = 1,1,2,2-tetrachloroethane) crystallizes…
We present a real-time investigation of ultrafast carrier dynamics in single-wall carbon nanotube bundles using femtosecond time-resolved photoelectron spectroscopy. The experiments allow to study the processes governing the subpicosecond and the picosecond dynamics of non-equilibrium charge-carriers. On the subpicose…
The Gd 2 (Ti 1 - y Zr y ) 2 O 7 pyrochlore series undergoes a structural phase transition from pyrochlore ( Fd 3̄ m ) to defect fluorite ( Fm 3̄ m ) that can be driven compositionally by increasing the Zr content or thermally by sintering Zr-rich compositions at temperatures above 1550 °C. Our results demonstrate that…
The thermal, hydrothermal, and mechanical stabilities of a wide range of ordered mesoporous materials, in particular, the molecular sieves MCM-41, MCM-48, HMS, FSM-16, KIT-1, PCH, and SBA-15, have been studied in detail using X-ray diffraction (XRD) and nitrogen sorption. The thermal stability was found to be strongly…
Laminar and tumbling flow regimes in a high shear flow, as well as transition from a flow alignment regime to a tumbling situation are investigated in the polar liquid crystal p-n-hexyloxybenzylidenep′-aminobenzonitrile (HBAB) near a charged surface. The relaxation of the alignment angle θ(τ) to its equilibrium θbulk…
A molecular dynamics simulation has been performed to investigate the structure and the dynamics of liquid and supercooled metatoluidine. H-bonding and clustering has been shown to dominate the structure of the liquid. An extensive analysis of the cluster formation and of its relation with the characteristic prepeak o…