Study of crater formation and sputtering process with large gas cluster impact by molecular dynamics simulations

Molecular dynamics (MD) simulations of large argon clusters impacting on silicon solid targets were performed in order to study the transient process of crater formation and sputtering. The MD simulations demonstrate that the initial momentum of incident cluster is transferred to target surface atoms through multiple collision mechanism, where the initial momentum, which is along to the surface normal before impact, is deflected to lateral direction. This momentum transfer process was analyzed by the calculation of the velocity at the crater edge (the interface between cluster and target). In the case of Ar₁₀₀₀ cluster impact on Si(1 0 0) target at low energy per atom less than 40 eV/atom, the maximum value of lateral velocity of the crater edge increases in proportional to the velocity of incident cluster atoms. On the other hand, the crater edge velocity saturates over 40 eV/atom of incident energy per atom. In this case, the whole of constituent cluster atoms are implanted into the target and expand in both lateral and reflective directions at the subsurface region of the target. These MD simulations demonstrated that this collisional process result in the high yield sputtering of the target atoms.     

Mumefural and related HMF derivatives from Japanese apricot fruit juice concentrate show multiple inhibitory effects on pandemic influenza A (H1N1) virus

Fruit-juice concentrate of Japanese apricot (Prunus mume Sieb. et Zucc.) has been shown to be effective against influenza A infection in MDCK cells. In this study, we isolated five components from the fruit-juice concentrate of Japanese apricot, 5-(hydroxymethyl)-2-formylfuran (HMF), 1-[5-(2-formylfuryl)methyl]dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate (mumefural, MF), 2-[5-(2-formylfuryl)methyl]dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate (MF‘), 1-[5-(2-formylfuryl)methyl]hydrogen 1-hydroxyethane-1,2-dicarboxylate (MA1) and 2-[5-(2-formylfuryl)methyl]hydrogen 1-hydroxyethane-1,2-dicarboxylate (MA2), and investigated their inhibitory activities against the novel influenza A/Narita/1/2009 (H1N1) pandemic virus hemagglutinin and neuraminidase functions, which are essential for viral attachment and budding, respectively. An hemagglutination inhibition assay indicated that MF and MF‘ were effective at minimum hemagglutination concentrations of 3.1 and 6.3 mM, respectively. An inhibition study for sialidase activity of the neuraminidase spike showed that MF was the most active anti-sialidase compound with an IC₅₀ value of 0.21 ± 0.01 mM, followed by MA2 (IC₅₀, 0.71 ± 0.09 mM), MA1 (IC₅₀, 1.64 ± 0.31 mM) and MF‘(IC₅₀, 1.62 ± 0.22 mM). Furthermore, MF was shown to inhibit the growth of the pandemic virus in a dose-dependent manner (62 ± 3% inhibition at 5 mM). The results suggest that MF, a citric acid ester linked to HMF at the 1-position of the propane backbone, might be a lead compound for the development of anti-influenza A inhibitors.     

Molecular Design and Synthesis of a Novel Substrate for Assaying Lysozyme Activity

A novel substrate {Galβ1,4GlcNAcβ1,4GlcNAc-β-pNP [Gal(GlcNAc)₂-β-pNP]} for assaying lysozyme activity has been designed using docking simulations and enzymatic synthesis via β-1,4-galactosyltransferase-mediated transglycosylation from UDP-Gal as the donor to (GlcNAc)₂-β-pNP as the acceptor. Hydrolysis of the synthesized Gal(GlcNAc)₂-β-pNP and related compounds using hen egg-white lysozyme (HEWL) demonstrated that the substrate was specifically cleaved to Gal(GlcNAc)₂ and p-nitrophenol (pNP). A combination of kinetic studies and docking simulation was further conducted to elucidate the mode of substrate binding. The results demonstrate that Gal(GlcNAc)₂-β-pNP selectively binds to a subsite of lysozyme to liberate the Gal(GlcNAc)₂ and pNP products. The work therefore describes a new colorimetric method for quantifying lysozyme on the basis of the determination of pNP liberated from the substrate.     

Star-shaped poly(lactic acid) with carboxylic acid terminal groups via poly-condensation

A series of star-shaped poly(lactic acid)s with carboxylic acid terminal groups have been synthesized by direct poly-condensation of lactic acid in the presence of a poly-carboxylic acid core molecule with triphenylphosphonium trifluoromethanesulfonate (TPP-T) catalyst.These star-polymers had thermal properties not very much different from those of star-shaped poly(lactic acid) with hydroxyl terminal groups and linear poly(lactic acid), irrespective of the structure of the core molecule and number of polymer arms. Solubility and degradability of these star-polymers were, however, greatly enhanced compared to those of star-polymers with hydroxyl terminal groups and increased depending on the number of polymer arms. From the star-shaped polymers, a variety of ammonium salts and the corresponding carboxyamides were successfully prepared.     

Precise disturbance modeling for improvement of positioning performance

This paper presents a modeling methodology for unknown disturbances in mechatronics systems, based on disturbance estimation using an iterative learning process. In disturbance modeling, nonlinear frictions are specially handled as disturbances in the mechanisms, which mainly degrade trajectory control performance. Friction can be mathematically modeled by using learned estimation data as a function of the displacement, velocity. acceleration, and jerk of the actuator. This model has the distinctive feature that friction compensation can be achieved with a generalization capability for different conditions. The proposed positioning control approach with disturbance modeling and compensation has been verified by experiments using a table drive system on a machine stand. © 2010 Wiley Periodicals, Inc. Electr Eng Jpn, 171(2): 31–39, 2010; Published online in Wiley InterScience ( www. interscience.wiley.com ). DOI 10.1002/eej.20928     

Making infrastructure visible for nomadic work

In this study we revisit Weiser’s (1991) [5] vision of seamlessly integrated computing. We focus on nomadic workers who rely extensively on mobile technologies to conduct work. Using Star and Ruhleder’s (1996) [10] properties of infrastructure, we discuss how nonroutine users of infrastructure face particular challenges. We conducted an ethnographic investigation of nomadic workers in a large distributed organization. We examined strategies that they use to assemble their mobile office, to seek resources, and to synchronize with others across time zones. We discuss how their strategies are challenged by their lack of local knowledge of infrastructure. Our results suggest that until the field of pervasive computing can attain Weiser’s vision, the very users of ubiquitous computing need infrastructure to be visible. We discuss the implications for a design to support nomadic work.     

Quail egg yolk (Coturnix coturnix japonica) enriched with omega-3 fatty acids

This experiment was carried out with 58-week old laying quails (Coturnix coturnix japonica) assigned to four treatment groups with eight quails per replication in six repetitions in a completely randomized design. The treatments consisted of diets with different levels of flaxseed (0, 1.5, 3.0, and 5.0%). The amounts of cholesterol and total lipids and the fatty acid composition of quail egg yolk were determined in four 21-day cycles. No difference was found in cholesterol levels between the four treatments and the four cycles. The increased ingestion of linolenic acid (LNA) in diet reduced the formation of arachidonic acid (AA) significantly. The 3.0 and 5.0% treatment groups presented a reduction in total saturated fatty acids (TSFA) with the increase in percent flaxseed in feed comparatively to the control value. The n-3 fatty acid level was high in all treatments when compared to that of the control group. The n-6/n-3 ratio decreased from 21.30 (control) to 4.52 (5.0%), which is a better value from the nutritional viewpoint.     

Molecular structures of gellan gum imaged with atomic force microscopy (AFM) in relation to the rheological behavior in aqueous systems in the presence of sodium chloride

Aqueous solutions of gellan gum with comparable molecular mass but with different acyl contents were investigated by atomic force microscopy and rheological measurements in the presence of sodium chloride (NaCl). Results obtained were discussed in relation to our previous report using potassium chloride (KCl) as an added salt. For a low-acyl sample, continuous fibrous network structures were identified microscopically as in the case of KCl. The network structures were more heterogeneous than those formed with KCl in terms of the height distribution of molecular assemblies. Rheological thermal hysteresis between sol–gel transitions was detected as in the case of KCl. The storage modulus (G′) of the gelled system was ca. 15% of the corresponding data with KCl at 20 °C. For a high-acyl sample, no continuous network structures were identified but branches with observable ends were identified as in the case of KCl. The hysteresis was less evident than the corresponding data with KCl and for the low-acyl sample with NaCl. Also, G′ values at 20 °C were ca. 30% and 20% of the corresponding data with KCl and for the low-acyl sample with NaCl, respectively. Continuousness and homogeneity of network structures related to the hysteresis and elasticity of the system, respectively.     

Synthesis of sulfonated organic–inorganic hybrids through the radical copolymerization of vinyl sulfonate esters and vinyl trialkoxysilanes

Novel organic–inorganic hybrids with sulfonic acid groups were prepared using random copolymers composed of vinyl sulfonate esters and vinyl trialkoxysilanes. Five vinyl sulfonate esters with different substituent groups were employed as protecting monomers for the production of the poly(vinyl sulfonic acid) component, and three vinyl trialkoxysilanes were used as cross-linkable monomers. Free radical and reversible addition-fragmentation chain transfer (RAFT) copolymerizations were performed for the production of random copolymers with two different functional groups. The selective deprotection of the sulfonate esters of the copolymers proceeded smoothly and resulted in the formation of copolymers with lithium vinyl sulfonate units and cross-linkable trialkoxysilane units. The co-condensation of the trialkoxysilane moieties in the deprotected copolymers with cross-linkers yielded transparent hybrid films that contained lithium sulfonate groups without aromatic rings or ester linkages.