A variable gap penalty function and feature weights for protein 3-D structure comparisons

We have developed a variable gap penalty function for use inthe comparison program COMPARER which aligns protein sequenceson the basis of their 3-D structures. For deletions and insertions,components are a function of structural features of individualamino acid residues (e.g. secondary structure and accessibility).We have also obtained relative weights for different featuresused in the comparison by examining the equivalent residuesin weight matrices and in alignments for pairs of 3-D structureswhere the equivalences are relatively unambiguous. We have usedthe new parameters and the varible gap penalty function in COMPARERto align protein structures in the Brookhaven Data Bank. Thevariable gap penalty function is useful especially in avoidinggaps in secondary structure elements and the new feature weightsgive improved alignments. The alignments for both azurins andplastocyanins and N- and C-terminal lobes for aspartic proteinasesare discussed     

Application of silica-containing nano-composite emulsion to wall paint: A new environmentally safe paint of high performance

A new emulsion-type paint was prepared by utilizing a nano-composite emulsion (NCE), which contained nano-size particles (ca. 60 nm in diameter) consisting of silica (inorganic core, ca. 30 nm in diameter) and polyacrylate (organic shell), and evaluated as wall paint. By applying NCE for the wall paint, about 35 wt.% of the organic content in the paint could be reduced in comparison with the commodity emulsion-type paint, which is highly effective to save the petroleum resources. The basic properties of the white NCE paint film on gloss, surface hardness, adhesion, and solvent resistance were evaluated and compared with those of acrylic emulsion-type paints as well as those of silica-containing paints which were prepared simply by blending the acrylic emulsion with silica sol. The NCE paint was especially excellent in solvent resistance. Then the practical tests were performed to evaluate its appropriateness as wall paint, which clarified the excellent antipollution property and the high flame resistance of the NCE paint.     

Solid state magnetic resonance spectra of Illinois No. 6 coal and some reductive alkylation products

Illinois No. 6 coal and its reductive methylation and butylation products have been studied by magnetic resonance techniques. Conventional CP-MAS¹³Cn.m.r. spectroscopy indicates that 62% of the carbon atoms in the coal are aromatic and that about 6% of the carbon atoms are carbonyl. Esters are more abundant than carboxylic acids. The resonances of methoxy groups and other novel etheric carbon atoms are apparent in the high field region. Dipolar dephasing experiments suggest that methyl carbon atoms constitute no more than 16% of the carbon, methylene and methine carbon atoms about 14% and quaternary aliphatic carbon atoms about 2%. The dipolar dephasing experiments in conjunction with previous work also permit estimates of the hydrogen atom distribution. The THF-insoluble products obtained in the reductive alkylation reactions with¹³C-enriched alkylating agents contain paramagnetic and ferromagnetic substances that adversely influence the solid state n.m.r. spectra. However, good ¹³C n.m.r. spectra were obtained after these substances were extracted with aqueous hydrochloric acid. The O:C alkylation ratios are 1.2 and 1.0 for methylation and butylation, respectively. Dipolar dephasing experiments establish that the decay constants of functional groups in the whole coal and of C- and O-methyl-¹³C and C- and O-butyl-1 -¹³C nuclei in the labelled coal molecules are very similar to those of reference compounds. These findings suggest that the decay constants measured for the ¹³C nuclei in coals and coal-derived solids provide reliable information about their degree of substitution.     

三层结构的氧化锆陶瓷整体烧结研究

对三层结构的ZrO2陶瓷的整体烧结行为进行了较深入的研究,提出了提高三层结构的ZrO2陶瓷整体烧结的措施。研究结果表明:对于三层结构的ZrO2陶瓷,通过采取波浪型界面结构,改进表面层配方,降低升温速率等手段能获得整体烧结性能良好,抗弯强度达到682MPa,硬度15.56GPa的力学性能优良的复合陶瓷材料。     

Influence of polymerization conditions on the structure and properties of polyethylene/polypropylene in‐reactor alloy synthesized in the gas phase with a spherical Ziegler–Natta catalyst

A spherical TiCl₄/MgCl₂‐based catalyst was used in the synthesis of in‐reactor polyethylene/polypropylene alloys by polyethylene homopolymerization and subsequent homopolymerization of propylene in the gas phase. Different conditions in the ethylene homopolymerization stage, such as monomer pressure and polymerization temperature, were investigated, and their influences on the structure and properties of in‐reactor alloys were studied. Raising the polymerization temperature is the most effective way of speeding up polymerization and regulating the ethylene content of polyethylene (PE)/polypropylene (PP) alloys, but it will cause a greater increase in the PE‐b‐PP block copolymer fraction (named fraction D) than in the fraction of PP‐block‐PE in which the PP segments have low or medium isotacticity (named fraction A). Although changing ethylene monomer pressure could influence the ethylene content of PE/PP alloys slightly, it is an effective way of regulating the structural distribution. Reducing the monomer pressure will evidently increase fractions A and D. The mechanical properties of the alloys, including impact strength and flexural modulus, can be regulated in a broad range with changes in polymerization conditions. These properties are highly dependent on the amount, distribution, and chain structure of fractions A and D. The impact strength is affected by both fraction A and fraction D in a complicated way, whereas the flexural modulus is mainly determined by the amount of fraction A. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 101: 2136–2143, 2006     

Selected physical characteristics of polystyrene/high density polyethylene composites prepared from virgin and recycled materials

Mixtures of polystyrene and high density polyethylene were injection molded from recycled and virgin polymers to generate cocontinuous structures. The mechanical properties of these blends were evaluated to assess their conformance to rule of mixtures behavior in general and to identify areas of synergy or incompatibility in specific. Flexural and tensile data for recycled blends showed that generally the properties are not additive, except in a cocontinuous region of composition near 35/65 PS/HDPE that has been identified previously for recycled materials. Analysis of crystallinity in the HDPE phase of these blends by differential scanning calorimetry indicates a marked reduction in the level of HDPE crystallinity at the 35/65 PS/HDPE composition. Similar blends of virgin PS/HDPE polymer do not show the differing regions of incompatibility and synergy illustrated by the recycled materials, but rather show approximate conformance to the rule of mixtures. Furthermore, the virgin blends show virtually no crystallinity suppression and a more pronounced T_g shift in the polystyrene compared to recycled materials. Detailed characterization of the recycled materials in terms of polymer and particulate impurities should improve understanding of these differences and perhaps provide direction for obtaining enhanced synergistic behavior in virgin polymer blends. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci, 2006     

Synthesis and properties of poly(aryl ether sulfone ether ketone ketone) (PESEKK)

4,4′‐bis(Phenoxy)diphenyl sulfone (DPODPS) was synthesized by reaction of phenol with bis(4‐chlorophenyl) sulfone in tetramethylene sulfone in the presence of NaOH. Two poly(aryl ether sulfone ether ketone ketone)s (PESKKs) with high molecular weight were prepared by low temperature solution polycondensation of DPODPS and terephthaloyl chloride (TPC) or isophthaloyl chloride (IPC), respectively, in 1,2‐dichloroethane and in the presence of aluminum chloride (AlCl₃) and N‐methylpyrrolidone (NMP). The resulting polymers were characterized by various analytical techniques, such as FT‐IR, ¹H‐NMR, DSC, TG, and WAXD. The results show that the T_g and T_d of PESEKKs are much higher, but its T_m is lower than those of PEKK. The other results indicate that PESEKKs exhibit excellent thermostabilities at 300 ± 10°C. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 96: 489–493, 2005     

Higher order structures and mechanical properties of bacterial homo poly(3-hydroxybutyrate) fibers prepared by cold-drawing and annealing processes

Pure bacterial homo poly(3-hydroxybutyrate) (PHB) fibers were prepared by melt spinning, followed by cold-drawing in an amorphous state at a temperature just above its glass transition temperature. Cold drawn fibers obtained were further drawn at higher temperatures, followed by annealing at various temperatures under tension. Relations among the processing conditions, higher order structures and mechanical properties were investigated using wide- and small-angle X-ray diffractions (WAXD and SAXD, respectively), birefringence, differential scanning calorimetry (DSC), and tensile measurements. PHB has two different crystalline forms, 2₁ helix conformation (α-form) and planar zigzag conformation (β-form). A single broad reflection of β-form was detected even in a PHB fiber drawn once at a temperature just above its T_g immediately after quenching and it tended to be stronger after 2nd drawing at higher temperatures. Annealing under low temperature and high tension facilitates the occurrence of β-form. It is suggested that the β-form crystal is formed not only from the tie chains between α-form lamella, but also from completely free amorphous chains. Changes in the amount of two types of crystals were analyzed using the WAXD integrated intensity. Birefringence of these fibers shows negative and positive values, depending on process conditions. Changes in higher order structure on the mechanical properties are also discussed.     

Ruthenium tetroxide catalysed oxidation of Illinois No. 6 coal: The formation of volatile monocarboxylic acids

Ruthenium tetroxide selectively oxidizes activated aromatic compounds under mild conditions and has been used for the catalytic oxidation of several different coals. The quantities of the volatile monocarboxylic acids with 2–6 carbon atoms have been determined by an isotope dilution technique. The amount of ethanoic acid ranges from 1 to 3mol/100C and the quantities of propanoic acid, and butanoic acid exceed 0.1 mol/100C. Methylpropanoic, pentanoic, 2-methylbutanoic, 3-methylbutanoicand hexanoic acid are formed in lesser amounts. The outcome of the experiment depends upon whether or not the coal has been extracted prior to oxidation. The results for Illinois No. 6 coal expressed in moles of ethanoic acid produced/l00C illustrate this feature: raw whole coal, 1.9; coal extracted by the method of Hayatsu and co-workers, 1.0. Dehydrogenation with benzoquinone prior to oxidation increases the yield of ethanoic acid to $\text{sol1.5mol}\text{100C.}$ The amounts of ethanoic acid obtained from the other extracted coals are 1.0 for Texas lignite, 1.2 for Rawhide subbituminous, 3.4 for Pittsburgh No. 8, 3.3 for a higher ranking bituminous coal (PSOC 726) and 0.7 for an anthracite (PSOC872). The results obtained in this study are compared with related information concerning the distribution of alkyl groups within coal by other methods.     

Semiochemicals and Social Signaling in the Wild European Rabbit in Australia: I. Scent Profiles of Chin Gland Secretion from the Field

The European rabbit (Oryctolagus cuniculus) uses the secretion of the chin gland in the maintenance of social status. Previous work has concentrated on secretion collected directly from the animal. In this study, the analysis was conducted by collecting scent marks made by free-ranging animals. Scent marks were found to be concentrated at the center of the area controlled by a social group, and at the boundaries between two adjacent social groups. Only the mark from dominant animals could be identified. Marks were also collected from the skin of rabbits, where they had been placed by the dominant individual. The mark found on the head of a subordinate animal may, in the future, be used to identify the dominant animal of the social group, who placed the mark.