Materials Literature
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Flux boundary conditions are interesting in a number of contexts ranging from multiscale simulations to simulations of molecular hydrodynamics in nanoscale systems. Here we introduce, analyze, and test a general scheme to impose boundary conditions that simultaneously control the momentum and energy flux into open par…
Complete and highly redundant data sets were collected at different wavelengths between 0.80 and 2.65 A for a total of ten different protein and DNA model systems. The magnitude of the anomalous signal-to-noise ratio as assessed by the quotient R(anom)/R(r.i.m.) was found to be influenced by the data-collection wavele…
Specific radiation damage can be used to solve macromolecular structures using the radiation-damage-induced phasing (RIP) method. The method has been investigated for six disulfide-containing test structures (elastase, insulin, lysozyme, ribonuclease A, trypsin and thaumatin) using data sets that were collected on a t…
Chitosan nanobead encapsulation of quantum dots (QDs) produces water-soluble, stable fluorescent markers for biomedical imaging. As shown in the Figure, derivatization of QDs with 3-mercaptopropionic acid (3MPA) produces a negatively charged surface to which positively charged chitosan is electrostatically attracted.…
The nitrogen substitution in carbon materials is investigated theoretically using the density functional theory method. Our calculations show that nitrogen substitution decreases the hydrogen adsorption energy if hydrogen atoms are adsorbed on both nitrogen atoms and the neighboring carbon atoms. On the contrary, the…
In this study, it is found that as-prepared gold nanorods can be linked to each other in an end-to-end way by using cysteine as a molecular bridge. Both transmission electron microscopy and UV-visible optical spectroscopy demonstrated the uniaxial assembly of the gold nanorods. The controlled addition of cysteine into…
Thin films of indium tin oxide [(ITO), ${\mathrm{In}}_{2}{\mathrm{O}}_{3}:\mathrm{Sn}$] have been grown by reactive electron beam deposition. Annealing in ultrahigh vacuum and, subsequently, in situ room temperature scanning tunneling microscopy (STM) and spectroscopy have been carried out. STM images before annealing…
Collagen is a natural biomaterial with excellent biocompatibility. However, unprocessed collagen has low stability and weak mechanical strength, which limits its application in tissue engineering. The current study aimed to improve the physicochemical properties of collagen scaffolds by using photochemical crosslinkin…
Abstract We present new hybrid organic/inorganic materials dedicated to heterogeneous catalysis. The systems are obtained by the polymerization of a high internal phase reverse emulsion (the so‐called polyHIPE porous materials) and have been further functionalized with various organic groups in order to promote the gr…
The isomerization behaviors of 2-(phenylazo)imidazole (Pai-H) and 1-N-methyl-2-(phenylazo)imidazole (Pai-Me) have been investigated. The crystal structure of trans-Pai-Me was determined, revealing that key structures around the azo group are nearly identical among azobenzene, Pai-H, and Pai-Me. Pai-Me undergoes revers…
In this paper, PRAM (phase-change memory), exploiting new memory materials called chalcogenides, is introduced. The reliability issues for high-density commercial memory products such as disturbance immunity, endurance, and data retention are addressed and evaluated by using a 64 Mb PRAM with 0.12 /spl mu/m technology…
A thermodynamically consistent C1 microkinetic model is developed for methane partial oxidation and reforming and for oxygenate (methanol and formaldehyde) decomposition on Rh via a hierarchical multiscale methodology. Sensitivity analysis is employed to identify the important parameters of the semiempirical unity bon…
G4-, G5-, and G6-PAMAM dendrimers were functionalized with mixtures of mannose and glucose in varying ratios, and the relative affinities of these compounds for Concanavalin A (Con A) were evaluated using the hemagglutination assay. As the ratio of mannose to glucose increases, the relative activity in the hemagglutin…
Thin, uniform, single-walled carbon nanotube films, made by a simple filtration process, subsequently coated with palladium, are shown to be promising detectors of hydrogen. The films detected hydrogen with relative responses of 20% at 100 ppm and 40% at 500 ppm concentrations. Most of the initial film conductance was…
Treatment of Si(TPP)Cl2 (TPP = tetraphenylporphyrinato) with 2 equiv of Na/Hg in THF yields the reduced porphyrin complex, Si(TPP)(THF)2, in which the porphyrin ring system has an oxidation state of 4- and the complex is antiaromatic. Single-crystal X-ray diffraction reveals that Si(TPP)(THF)2 is highly ruffled and ex…
The method for quantifying the amount of each carbon nanotube specie, as defined by its diameter and chiral angle, as well as the semiconducting-to-metallic ratio in any type of carbon nanotube sample is discussed. Single-wall carbon nanotubes grown by the cobalt-molybdenum catalyst based (CoMoCAT) process are charact…
Polyvinylpyrrolidone (PVP)/Ag(2)S composite fibres were successfully prepared by a facile method called the electrospinning technique. Scanning electron microscopy analysis revealed the fibre morphology of the composite. Transmission electron microscopy showed spherical nanoparticles of the Ag(2)S component with an av…
Details are presented of an efficient formalism for calculating transmission and reflection matrices from first principles in layered materials. Within the framework of spin density functional theory and using tight-binding muffin-tin orbitals, scattering matrices are determined by matching the wave-functions at the b…
Hollow, nested inorganic fullerene- type MoQ2 (Q = S, Se) nanoparticles (see Figure) are prepared in high yield and on a large scale from organometallic precursors. The MoQ2 nanoparticles are obtained by a gas-phase synthesis (using metal-organic chemical vapor deposition) from Mo(CO)6 and S/Se, followed by a subseque…
Self-rupturing microcapsules are prepared by layer-by-layer coating of degradable dextran-hydroxyethyl methacrylate microgels with the polyelectrolytes poly(allylamine hydrochloride) and sodium poly(styrene sulfonate). When the microgel core degrades, the swelling pressure increases and, at a critical value of the swe…