Protein modelling using a chimera reference protein derived from exons

Bovine pancreatic /S-trypsin (PDB ID-code: 1TPO) which is registeredin the Brookhaven Protein Data Bank (PDB) consists of four exons.The results of homology searches for each exon in the PDB showedthat homologous proteins were tonin (PDB ID-code: 1TON), ratmast cell protease (PDB ID-code: 3RP2_A), kaffikrein A (PDBID-code: 2PKA_B) and kallikrein A (2PKA_B) respectively. Thus,for the three-dimensional structure prediction of 1TPO, a chimeraprotein was constructed from the three proteins mentioned aboveand the 3-D structure prediction was performed using this chimerareference protein. The modelled structure of 1TPO was energeticallyoptimized by molecular mechanics and molecular dynamics simulationand was compared with its X-ray crystal structure registeredin the PDB. The root mean square deviations (r.m.s.d.) of mainchain atoms and the neighbouring active site (5 sphere fromHis57, AsplO2 and Serl95) between the modelled structure andthe X-ray structure were 1.66 and 0.94 respectively. Porcinepancreatic elastase (PDB ID-code: 3EST) which is registeredin the PDB was used as the reference protein and the modelledstructure from 3EST was also compared with the X-ray data. Ther.m.s.d. of main chain atoms and that of the active site were2.14 and 1.18 respectively. These results dearly support thepropriety of this method using the chimera reference protein.     

A Taxonomy of Representation Strategies in Iconic Communication

Predicting whether the intended audience will be able to recognize the meaning of an icon or pictograph is not an easy task. Many icon recognition studies have been conducted in the past. However, their findings cannot be generalized to other icons that were not included in the study, which, we argue, is their main limitation. In this paper, we propose a comprehensive taxonomy of icons that is intended to enable the generalization of the findings of recognition studies. To accomplish this, we analyzed a sample of more than eight hundred icons according to three axes: lexical category, semantic category, and representation strategy. Three basic representation strategies were identified: visual similarity; semantic association; and arbitrary convention. These representation strategies are in agreement with the strategies identified in previous taxonomies. However, a greater number of subcategories of these strategies were identified. Our results also indicate that the lexical and semantic attributes of a concept influence the choice of representation strategy.     

Hydroxyapatite crystal growth on calcium hydroxyapatite ceramics

Calcium hydroxyapatite (Ca-HAP) ceramics containing tricalcium phosphate (TCP) were soaked in three solutions: phosphate buffer, tris buffer, and simulated body fluid (SBF). Petal-like crystals of Ca-HAP were deposited on the Ca-HAP ceramics when (i) Ca-HAP ceramics contained -TCP, (ii) the soaking solution contained phosphate ion and (iii) the pH of soaking solution was higher than 7.3. These conditions facilitate the presence of HPO ₄ ^2– and Ca²⁺ ions, the latter from dissolution of -TCP. A well-defined X-ray diffraction pattern for the deposited Ca-HAP crystals indicates preferred growth of {002} planes. Slower crystal growth of Ca-HAP was found for SBF (pH=7.5) than in the phosphate buffer, due possibly to the lower phosphate ion content in SBF.     

Stability of tetragonal ZrO2 phase in Al2O3 prepared from Zr-Al organometallic compounds

Zr-Al organometallic compounds have been spray-dried and heated at temperatures 600 to 1400°C to prepare ZrO₂-Al₂O₃ composite powders. The powders consist of balloon-like particles 0.5 to 2 m in diameter with homogeneously dispersed tetragonal ZrO₂ grains 0.1 to 0.2 m in diameter. The tetragonal fraction of ZrO₂ in the composite powders is higher than that in the powders prepared from sols of Zr(OBuⁿ)₄ and Al[OCH(CH₃)₂]₃. The fraction is affected by the organofunctional group in the Zr-Al compounds.Zr(OBuⁿ)₄ = Zr(OC₄Hgⁿ)₄; Al[OCH(CH₃)₂]₃ = Al(OPrⁱ)₃.     

Thermophysical properties data on molten semiconductors

Thermophysical properties of molten semiconductors are reviewed. Published data for viscosity, thermal conductivity, surface tension, and other properties are presented. Several measurement methods often used for molten semiconductors are described. Recommended values of thermophysical properties are tabulated for Si, Ge, GaAs, InP, InSb, GaSb, and other compounds. This review shows that further measurements of thermophysical properties of GaAs and InP in the molten state are required. It is also indicated that a very limited amount of data on emissivity is available. Space experiments relating to thermophysical property measurements are described briefly.Nomenclature Density - C _p Specific heat - Kinematic viscosity - Dynamic viscosity= - Thermal diffusivity - Thermal conductivity=C_p - Volumetric thermal expansion coefficient - Surface tension - d/dT Temperature coefficient of surface tension - g Gravitational acceleration - T Temperature - T Temperature difference - L Characteristic dimension     

Co-crosslinking blend of incompatible polymers VI: Poly(vinyl chloride) toughened with polyethylene via a co-crosslinking technique

A binary blend which consists of two incompatible polymers such as poly(vinyl chloride) and polyethylene has been performed through a partial co-crosslinking reaction with peroxide to give a co-crosslinked blend with a uniform dispersion of small polyethylene particles and with an improved mechanical property. The results are obtained through the formation of a co-crosslinked product which acts as a potential solid phase dispersant as well as a well-bonded reinforcing interlayer on polyethylene particles uniformly dispersed in poly(vinyl chloride) matrix. The resulting blends (PVC/PE=10/90 wt) give carbon spherules of 0.5 to 1m diameter through pressure-carbonization at 650° C for 1 h.     

Chemical Modification of Phage-Displayed Helix-Loop-Helix Peptides to Construct Kinase-Focused Libraries

Conformationally constrained peptides hold promise as molecular tools in chemical biology and as a new modality in drug discovery. The construction and screening of a target-focused library could be a promising approach for the generation of de novo ligands or inhibitors against target proteins. Here, we have prepared a protein kinase-focused library by chemically modifying helix-loop-helix (HLH) peptides displayed on phage and subsequently tethered to adenosine. The library was screened against aurora kinase A (AurA). The selected HLH peptide Bip - 3 retained the α-helical structure and bound to AurA with a K_D value of 13.7 μM. Bip - 3 and the adenosine-tethered peptide Bip - 3 - Adc provided IC₅₀ values of 103 μM and 7.7 μM, respectively, suggesting that Bip - 3 - Adc bivalently inhibited AurA. In addition, the selectivity of Bip - 3 - Adc to several protein kinases was tested, and was highest against AurA. These results demonstrate that chemical modification can enable the construction of a kinase-focused library of phage-displayed HLH peptides.     

Breakdown Trade-Off Relation of Mechanical Properties via Micro-alloying in Mg–Mn Alloys

The impact of micro-alloying on tensile behavior at strain rates in various ranges is examined using five types of extruded Mg-0.3 at. pct Mn–0.1 at. pct X ternary alloys, where X is selected as a common element, Al, Li, Sn, Y or Zn. Microstructural observations reveal that the average grain size of these extruded alloys is between 1 and 3 μm, and these micro-alloying elements segregate at grain boundaries. In room temperature tensile and compression tests, these results show that the mechanical properties and deformation behavior are influenced by the micro-alloying element, even as a small addition of 0.1 at. pct. Mg–Mn–Y and Mg–Mn-Zn alloys show higher strength and smaller strain rate sensitivity (m-value) among the present alloys, owing to the rate-controlling mechanism as dislocation slip. On the other hand, the Mg–Mn–Li alloy exhibits the largest elongation to failure in tension and the highest strain rate sensitivity, associated with high contribution of grain boundary sliding to deformation. These differences are due to the grain boundary segregation of the micro-alloying elements. Compared to the common Mg alloys, the present ternary alloys also show a trade-off relationship between strength and ductility, which is similar to that of the well-known Mg alloys; however, these properties of the Mg–Mn system ternary alloys could be controlled via the type of micro-alloying elements with a chemical content of 0.1 at. pct.

     

Study on triazine thiols. IV. Action of triazine thiols and their metal salts to peroxide

Decomposition of t-butylhydroperoxide was retarded by triazine thiols and their zinc salts, but accelerated by the copper salts of triazine thiols as well as sulfur compounds such as dithiocarbamates and mercaptobenzothiazolates. Triazine thiols and their zine salts are effective antioxidants for polyethylene crosslinked with peroxide and containing copper, and for protecting epichlorohydrin vulcanizates against attack by “sour” or hydroperoxide-containing gasoline.