Materials Literature
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The N-confused porphyrin complex Mn(II)(NCHPP)Br exhibits a nonplanar porphyrin ring with an inner core C-H on the inverted pyrrole ring. The aerobic metal oxidation promotes the dissociation of an inner-core proton on the inverted pyrrole ring and changes the N-confused porphyrin conformation to a planar porphyrin ri…
We use an integral equation scheme to obtain self-consistently the effective interaction between colloids in salt-free charged colloidal suspensions. The colloid–counterion direct correlation function (DCF) is obtained for the fixed colloid–colloid pair structure by solving the corresponding hypernetted-chain equation…
Morphological changes in single-walled carbon nanotubes (SWNTs) upon bombardment with 3MeV protons were monitored by transmission electron microscopy in a wide range of irradiation doses. Evident morphological alterations were observed at >0.1 mC, such as curving of the nanotubes, a loss of their straight shape, and f…
In support of improved personal armour development, depth of penetration tests have been conducted on four different ceramic materials including alumina, modified alumina, silicon carbide and boron carbide. These experiments consisted of impacting ceramic tiles bonded to aluminum cylinders with 0.50 caliber armour pie…
The dynamic critical behavior of isotropic Heisenberg ferromagnets with a planar free surface is investigated by means of field-theoretic renormalization group techniques and high-precision computer simulations. An appropriate semi-infinite extension of the stochastic model J is constructed. The relevant boundary term…
A first-principles method, based on density functional perturbation theory, is presented for computing the leading order tunability of high-dielectric-constant materials.
We study the effect of a magnetic field on the thermal relaxation of non-interacting small monodomain particle systems particles with a distribution of anisotropy constants and random easy-axes directions. Numerical calculations of the relaxation curves for different distribution widths, and under different magnetic f…
The magnetic structure of the edge sharing cuprate compound Li2CuO2 has been investigated by means of ab initio electronic structure calculations. The first and second neighbor in-chain magnetic interactions are calculated to be -142 K and 22 K, respectively. The ratio between the two parameters is smaller than sugges…
We have studied the reconstruction of Pt(111) theoretically using a two-dimensional Frenkel-Kontorova model for which all parameters have been obtained from ab initio calculations. We find that the unreconstructed surface lies right at the stability boundary, and thus it is relatively easy to induce the surface to rec…
We report an approach for extracting the optical constants of bimetallic Ag–Au nanoparticles from the measured surface-plasmon (SP) extinction spectra. The dielectric function of the metal is expressed as an analytic function of the wavelength in which the interband (and all other non-Drude) contributions to the diele…
The self-assembly of surfactant-like peptides containing 4−10 glycines as the component of the hydrophobic tails and aspartic acids as the hydrophilic heads is described. The peptide monomers form nanotubes and nanovesicles in water at neutral pH. These nanostructures become more polydisperse as the length of the glyc…
We report dielectric data on six different plastic crystalline materials, namely 1-cyanoadamantane, adamantanone, pentachloronitrobenzene, cyclo-hexanol, ethanol, and meta-carborane, covering a frequency range of up to 14 decades and up to 20 GHz. Information on phase transitions, the α-relaxation, and relaxation proc…
A high-mobility (9000 cm 2 /V·s) semiconducting single-walled nanotube transistor is used to construct a nonvolatile charge-storage memory element operating at room temperature. Charges are stored by application of a few volts across the silicon dioxide dielectric between nanotube and silicon substrate, and detected b…
Abstract The milling behavior of brominated isobutylene‐co‐paramethylstyrene (BIMS), ethylene propylene diene terpolymer (EPDM), and their blends was investigated over a range of temperatures and friction ratios using the continuous milling operation. At 30 °C, BIMS forms a loose nervy appearance and, as the temperatu…
Human lactoferrin is an iron-binding protein with a bilobal structure. Each lobe contains a high-affinity binding site for a single Fe(3+) ion and an associated CO(3)(2-) ion. Although iron binds very tightly, it can be released at low pH, with an accompanying conformational change in which the two domains move apart.…
Abstract Solvent transport in poly(ethylene terephthalate) (PET) and related phase transformation were investigated. The data of mass sorption were analyzed according to Harmon's model for Case I (Fickian), Case II (swelling), and anomalous transport. This transport process in PET is accompanied by the induced crystal…
SSD-4, the fourth version of the NIST Surface Structure Database, has appeared in early 2002 as a significant upgrade to both the database and graphics software; it now also includes nearly 1300 structures published through the end of 2000. SSD is an interactive PC-based database of critically selected surface structu…
A series of experiments performed at Cu Kalpha wavelength on in-house X-ray equipment are presented which investigate two possibilities for enhancing the experimental phasing signal by means of (i) triiodide/iodide soaks using KI/I(2) and (ii) combinations of counter-ions introduced using the short cryosoak method. Tr…
FtsH is a membrane-anchored ATP-dependent protease that degrades misfolded or misassembled membrane proteins as well as a subset of cytoplasmic regulatory proteins. It belongs to the family of AAA(+) ATPases with roles in diverse cellular processes. The ATPase domain of FtsH from Escherichia coli has been crystallized…
Abstract Influences of chemical oxidation polymerization conditions on the yields of polyaniline powder were investigated. These chemical oxidation polymerization conditions included polymerization time, concentration of HNO 3 , mol ratio of ammonium persulfate/aniline (APS/AN), and polymerization temperature. If poly…