Materials Literature
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Calmodulin (CaM) regulates a variety of cellular processes by interacting with a large number of proteins in a Ca(2+)-dependent manner. Conformational flexibility plays a key role in CaM function, although the full extent and detailed features of this flexibility are not fully characterized. Here, the 1.75 A resolutio…
Diamond coatings on Co cemented tungsten carbide (WC-Co) hard metal tools are widely used for cutting non-ferrous metals. It is difficult to deposit diamond onto cutting tools, which generally have a complex geometry, using a single step growth process. This paper focuses on the deposition of polycrystalline diamond f…
The Raman spectra of several surfactants such as didodecyldimethylammonium bromide (DDAB), cetyltrimethylammonium bromide (CTAB), dimyristoylphosphatidylcholine (DMPC), cetylpyridinium chloride (CPC), dihexadecyl phosphate (DHP), and sodium laurate (NaL) have been investigated in the solid, multilayer, micellar, and m…
Following recent experiments leading to the assignment of a trigonal vacancy–nitrogen–hydrogen complex in single-crystal chemical vapour deposited diamond, we have employed first-principles density functional supercell and cluster techniques to examine the structure and properties of such a defect. We find that the tr…
Photochromic diarylethenes, which bear carboxyl groups at the ortho, meta, or para positions of both terminal phenyl groups, have been synthesized. The diarylethenes adopt linear chain structures as a result of hydrogen bonding in the crystalline phase, and the crystals exhibit photochromic properties. The absorption…
We report an electrospray ionisation multistage mass spectrometry (ESI-MSn) method that utilises molecular mass information for determination of sequence distribution and chemical structure of mass-selected macromolecules of poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) biopolyester, PHBH. On the basis of ESI-MSn stud…
The organic−inorganic (O−I) hybrid networks were prepared from two types of O−I precursors: (a) alkoxysilane-end-capped oligomers (ASO) and (b) epoxy-functional silsesquioxane (SSQO) clusters (EC). ASO precursors were cross-linked by hydrolysis and condensation of alkoxysilane groups and the EC by the reaction of the…
We study a class of growth processes in which clusters evolve via exchange of particles. We show that depending on the rate of exchange there are three possibilities: (I) Growth---clusters grow indefinitely, (II) gelation---all mass is transformed into an infinite gel in a finite time, and (III) instant gelation. In r…
The preparation of ordered and arranged Si quantum dots using a SiO/SiO 2 superlattice approach is presented. The different processes of phase separation and crystallization are studied in detail by infrared (IR) absorption and photoluminescence (PL) spectroscopy for different annealing temperatures from 300 to 1100 °…
The slow dynamics for a colloidal suspension of particles interacting with a hard-core repulsion complemented by a short-ranged attraction is discussed within the frame of mode-coupling theory for ideal glass transitions for parameter points near a higher-order glass-transition singularity. The solutions of the equati…
Using the first-principles pseudopotential method, we have studied simultaneous isovalent and n-type doping in diamond. We show that Si induces fully occupied isovalent levels near the valence band maximum. The Si levels interact with N donor levels, making them much shallower. The donor transition energy level of the…
As the use of wood-plastic composite (WPC) materials extends to include more structural applications, there is an increasing need to determine design values appropriate for designing structural WPC elements. Depending on specific formulations, WPCs can have significantly different stress-strain relationships. Common,…
The X-ray crystal structure of squid-type diisopropylfluorophosphatase (DFPase) has been refined to a resolution of 0.85 A and a crystallographic R value of 9.4%. Crystal annealing improved both the mosaicity and resolution of the crystals considerably. The overall structure of this protein represents a six-bladed bet…
Probabilistic methods involving maximum-likelihood parameter estimation have become a powerful tool in computational crystallography. At the centre of these methods are the relevant probability distributions. Here, equations are developed based on the complex multivariate normal distribution that generalize the distri…
Abstract The reduction of SO 2 on activated carbon was studied in the range of 600–700°C in a differential reactor under steady‐state conditions and under chemically controlled kinetics. Initial rates of carbon conversion and gas reagent were calculated from the mass balance of the gaseous products. The kinetics was f…
Heteronuclear NMR methods have been used to probe the conformation of four complexes of Escherichia coli dihydrofolate reductase (DHFR) in solution. (1)H(N), (15)N, and (13)C(alpha) resonance assignments have been made for the ternary complex with folate and oxidized NADP(+) cofactor and the ternary complex with folat…
First-principles band structure calculations have been used to investigate epitaxially strained ${\mathrm{LaNiO}}_{3}$ films. Experimentally, tensile biaxial strain has been realized in pseudomorphic ${\mathrm{LaNiO}}_{3}$ films grown on ${\mathrm{SrTiO}}_{3}$ (001) substrates using ozone-assisted molecular beam epita…
The powder and single-crystal EPR spectra of Co(II)(OEP) (OEP is the dianion of octaethylporphyrin) doped into a range of diamagnetic crystals including simple four-coordinate hosts, H(2)(OEP), the triclinic B form of Ni(II)(OEP), the tetragonal form of Ni(II)(OEP) and Zn(II)(OEP); five-coordinate hosts, micro-dioxane…
This Letter describes the generation of 2D colloidal lattices in microchannels by coupling the laminar flow of dispersions of spherical colloids and geometrical confinement. We describe a nonequilibrium, convective, mechanism leading to formation of ordered 2D structures of both closed-packed hexagonal and non-closed-…
We report an experimental study that demonstrates control of the anchoring of a nematic liquid crystal (LC), 4‘-pentyl-4-cyanobiphenyl (5CB), at an aqueous−LC interface by the reversible adsorption of a redox-active surfactant, 11-(ferrocenylundecyl) trimethylammonium bromide (FTMA). Whereas the anchoring of 5CB was f…