Materials Literature
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Equilibrium molecular dynamics (EMD) Green−Kubo simulations of the shear viscosity coefficient of molten sodium chloride and potassium chloride are reported in the microcanonical ensemble ( N, V, E ). The potential model used is the Born−Mayer−Huggins−Tosi−Fumi interionic potential, and several state points have been…
Charged NO x species ( x = 1,2,3) formed upon adsorption of NO 2 on BaO are characterized by diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and theoretical vibrational analysis using the density functional theory (DFT). Experiments at 30 °C reveal nitrite formation. At T > 250 °C, shifts associate…
The structural details of thick polymer films made from poly(Z- l -lysine)−polystyrene rod−coil block copolymers, the polydispersity index being in the range ∼1.01−1.64, were investigated by small-angle X-ray scattering techniques. All films were found to have a hexagonal-in-zigzag lamellar morphology. The zigzag supe…
A novel nanostructure was constructed using two different generations of polyamidoamine (PAMAM) dendrimers and three sets of complementary oligonucleotides (34, 50, and 66 bases in length). The oligonucleotides were covalently conjugated to partially acetylated generation 5 and 7 PAMAM dendrimers, and these conjugates…
The haloacid dehalogenase (HAD) superfamily includes a variety of enzymes that catalyze the cleavage of substrate C-Cl, P-C, and P-OP bonds via nucleophilic substitution pathways. All members possess the alpha/beta core domain, and many also possess a small cap domain. The active site of the core domain is formed by f…
Novel fused donor-acceptor dyad (TTF-Q or D-A) and acceptor-donor-acceptor triad (Q-TTF-Q or A-D-A) incorporating the donor tetrathiafulvalene (TTF) and the acceptor p-benzoquinone (Q) have been synthesized. The solution UV-vis spectra of these molecules display a low-energy absorption band that is attributed to an in…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTA Novel Construction of a Reversible Fixation−Release System of Carbon Dioxide by Amidines and Their PolymersTakeshi Endo, Daisuke Nagai, Tomohiro Monma, Hiroshi Yamaguchi, and Bungo OchiaiView Author Information Department of Polym…
In a polymer analogous approach, large dendritic oligophenylenes containing benzene and tetraphenylmethane cores are transformed via oxidative cyclodehydrogenation to novel propeller-shaped molecules with large polycyclic aromatic hydrocarbon units as "blades". Structure analysis is performed by a combination of MALDI…
The interactions of single-walled carbon nanotubes (SWNTs) with ferritin protein in water were investigated. It was found that SWNTs are naturally protein-affinitive in an aqueous ferritin solution, resulting in significant ferritin−SWNT conjugation and the solubilization of the nanotubes. The conjugation is further e…
We predict a diblock copolymer melt in the lamellar phase with added spherical nanoparticles that have an affinity for one block to have a lower tensile modulus than a pure diblock copolymer system. This weakening is due to the swelling of the lamellar domain by nanoparticles and the displacement of polymer by elastic…
The determination of density profiles with knowing the phase information of complex reflection coefficient for neutron specularly reflected from a film, yields unique results. Recently it has been shown that the phase can be determined by using controlled variation of the scattering length density of the fronting (inc…
A reliable semi-empirical Hamiltonian for materials simulations must allow electron screening and charge redistribution effects. Using the framework of linear combination of atomic orbitals (LCAO), a self-consistent and environment-dependent (SCED) Hamiltonian has been constructed for quantum mechanics based simulatio…
We describe at the quantum-chemical level the main parameters that control charge transport at the molecular scale in discotic liquid crystals. The focus is on stacks made of triphenylene, hexaazatriphenylene, hexaazatrinaphthylene, and hexabenzocoronene molecules and derivatives thereof. It is found that a subtle int…
This communication describes the use of polyelectrolyte multilayer as a preformed matrix in electrochemical deposition to adjust the morphology of gold clusters, and only the surface covered with dendritic gold clusters shows a super-hydrophobic property, with the contact angle above 150 degrees and the tilt angle les…
ADVERTISEMENT RETURN TO ISSUEArticleNEXTWater Gelation by Small Organic MoleculesLara A. Estroff and Andrew D. HamiltonView Author Information Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107 Cite this: Chem. Rev. 2004, 104, 3, 1201–1218Publication Date (Web):February 21, 20…
Mössbauer spectroscopy of La 0.67 Ca 0.33 Mn 0.9 Fe 0.1 O 3 shows phase separation above and below the magnetic transition temperature T C . These phase separations are found to be independent and related to different phenomena. The relative volumes of the two phases above and below T C are also very different. Mössba…
The effect of hydride and hydrogen-induced martensite on the fracture toughness of a TiNi shape memory alloy has been investigated using a notched tensile specimen. The results show that the fracture toughness of the hydrogenated samples decreases linearly with increasing hydrogen concentration, and the relative fract…
Binary gratings were fabricated with high first-order diffraction efficiency by conventional electron-beam drawing and subsequent inductive coupled-plasma dry etching upon the surfaces of SiO2 glass plates. The gratings were covered with a thin SiO2 film by plasma-enhanced chemical-vapor deposition without the grooves…
We studied the surface wave and reflective properties of two types of metamaterials, one that combines a material with dispersive μ with a metal film, and another that possesses arbitrary ε and μ. Generic surface wave phase diagrams with respect to ε and μ are given. For the first type, we find that the simultaneous a…
We report a polarized fluorescence recovery after photobleaching (pFRAP) method to measure the rotational dynamics of fluorescent colloids over a wide dynamic range. The method is based on the polarization anisotropy in the fluorescence intensity, generated by bleaching of fluorescently labeled particles with an inten…