Towards understanding the mechanism of action of the multidrug resistance-linked half-ABC transporter ABCG2: a molecular modeling study

The ATP-binding cassette protein ABCG2 is a member of a broad family of ABC transporters with potential clinical importance as a mediator of multidrug resistance. We carried out a homology and knowledge-based, and mutationally improved molecular modeling study to establish a much needed structural framework for the protein, which could serve as guidance for further genetic, biochemical, and structural analyses. Based on homology with known structures of both full-length and nucleotide-binding domains (NBD) of ABC transporters and structural knowledge of integral membrane proteins, an initial model of ABCG2 was established. Subsequent refinement to conform to the lipophilic index distributions in the transmembrane domain (TMD) and to the results of site-directed mutagenesis experiments led to an improved model. The complete ABCG2 model consists of two identical subunits facing each other in a closed conformation. The dimeric interface in the nucleotide-binding domain (NBD) involves a characteristic nucleotide sandwich and the interface in the TMD consists of the TM helices 1–3 of one subunit and the helices 5 and 6 of the other. The interface between the NBD and the TMD is bridged by the conserved structural motif between TM2 and TM3, the intracellular domain 1 (ICD1), and the terminal β-strand (S6) of the central β-sheet in the NBD. The apparent flexibility of the ICD1 may play a role in transmitting conformational changes from the NBD to the TMD or from the TMD to the NBD.     

Switching in polystyrene and polymethyl methacrylate thin films: effect of preparation conditions of the polymers

Switching without any break in the electrodes was observed in polystyrene and polymethyl methacrylate films by controlling the current using a high resistance connected in series with the sample. The effect of the method of polymerization on the switching characteristics were studies for both polymers. Polymers were prepared by -ray irradiation or by catalytic or noncatalytic thermal polymerization. The switching characteristics gave poor reproducibility for the catalytically polymerized polystyrene, but no difference was observed for the three types of polymethyl methacrylate from different origins. In the case of polystyrene, the lower the molecule weight, the higher was the threshold voltage. With polymethyl methacrylate such a dependence was not observed. In both polymers the on-state is relatively stable. When the samples in the on-state were heated above 100° C, they were converted to the offstate. No dots or breaks on the sample were detected by scanning electron microscopy (SEM) after switching has occurred.     

Polyphenols and fatty acids responsible for anti-cyanobacterial allelopathic effects of submerged macrophyte Myriophyllum spicatum

Myriophyllum spicatum is known to inhibit the growth of cyanobacteria such as Microcystis aeruginosa by releasing anti-cyanobacterial allelochemicals. The allelochemicals possibly responsible for the inhibition include five polyphenols and three fatty acids, but the extent to which these are indeed responsible for the anti-cyanobacterial effects is unclear. The goal of this research was to determine the contribution of these compounds to the allelopathic effect of M. spicatum on M. aeruginosa. We first collected information on the release rates of these compounds and then added the compounds to a cyanobacterial medium on the basis of their release rates so as to simulate their excretion by M. spicatum. Addition of the polyphenols and fatty acids inhibited the growth of M. aeruginosa, and the interaction of the polyphenols and fatty acids was additive. The EC50 of a polyphenol and fatty acid mixture was compared with that of M. spicatum itself as previously determined in a mixed culture system in which M. spicatum and M. aeruginosa were incubated. The former was about 1.9 times higher than that of the latter, the implication being that the inhibitory effect of the polyphenols and fatty acids contributed about 53% of the allelopathic effect of M. spicatum. This paper is the first to describe allelochemicals that account for a half of the anti-cyanobacterial allelopathic effect of a macrophyte.     

Study on high performance ice slurry formed by cooling emulsion in ice storage (discussion on adaptability of emulsion to thermal storage material)

This study focuses on an emulsion as a new thermal storage material for ice storage. Two types of emulsions were formed using an oil–water mixture with a small amount of additive. A silicone, light and lump oils were used. The water contents of the emulsions were 70, 80 and 90%. The additive was an amino group modified silicone oil. No depression of freezing point was observed for the emulsions because of their hydrophobic properties. In order to determine the structure of the emulsions, their electrical resistances were measured. Moreover, components of the liquids separating from the emulsions were analyzed. The results indicated that one emulsion was a W/O type emulsion, while the other was an O/W type. Finally, adaptability of the two emulsions to ice storage was discussed, it was concluded that a high performance ice slurry could be formed by the W/O type emulsion.     

Oxygen permeation properties and surface modification of acceptor-doped CeO2/MnFe2O4 composites

The preparation and oxygen permeation properties of the (Ce_0.8Pr_0.2)O_2−δ − x vol% MnFe₂O₄ composites, where x = 0 to 35, have been investigated. The samples were prepared by the Pechini method. In the case of Ce_0.8Pr_0.2O_2−δ, an oxygen flux density of 6 μmol⋅cm⁻²⋅s⁻¹ (L = 0.0247 cm) and the maximum methane conversion of 50% were attained at 1000^∘C. Unlike composites consisting of Gd-doped CeO₂ and MnFe₂O₄, the oxygen permeability of the (Ce_0.8Pr_0.2)O_2−δ – x vol% MnFe₂O₄ composites was almost constant regardless of the volume fraction of MnFe₂O₄; however, the optimum volume fraction of MnFe₂O₄ was determined to be 5 to 25 in the context of the chemical and mechanical stabilities under methane conversion atmosphere. In addition, the surface modification of the (Ce_0.8Gd_0.2)O_2−δ – 15 vol% MnFe₂O₄ composite was performed by using the FePt nanoparticles. The catalyst loading of 2.8 mg/cm² on the both side of the 0.3 mm-thick (Ce_0.8Gd_0.2)O_2−δ – 15vol% MnFe₂O₄ composite increased the oxygen flux density from 0.30 to 0.76 μmol⋅cm⁻²⋅s⁻¹ in the case of He/air gradients; however, the effect seems to be reduced in the case of high oxygen flux density caused by a large pO₂ gradient. Moreover, the Langmuir-Blodgett film of the FePt nanoparticles were successfully prepared on the tape-cast (Ce_0.8Gd_0.2)O_2−δ – 15vol% MnFe₂O₄ composite. Hydrophobic treatments for the surface of the composite were crucial to achieve high transfer ratio for the deposition of the LB film.     

Three dimensional virtual crack closure-integral method (VCCM) with skewed and non-symmetric mesh arrangement at the crack front

In this paper, an extension of virtual crack closure-integral method (VCCM) for three dimensional linear fracture mechanics analysis using hexahedron finite elements is presented. In conventional three dimensional VCCM, there are some inherent requirements on the finite element model. They are (i) the faces of finite elements across the crack front have the same areas and (ii) they must be arranged symmetrically across the crack front. In present study, we developed a three dimensional VCCM without such requirements by considering work required to open one element face area whose shape is arbitrary. Though we assume the use of an ordinary 20 node serendipity element, present approach can be applied to other types of hexahedron elements.     

Thermomechanical fatigue behavior of the third-generation,single-crystal superalloy TMS-75: Deformation structure

The deformation structure after the out-of-phase thermomechanical fatigue (OP TMF) of the single-crystal (SC), Ni-based superalloy TMS-75 has been studied. Mechanical experiments were performed at temperatures between 400 °C and 900 °C under different total strain ranges with varying hold times in the compression stage. The lives of TMF for samples with hold times of 10 and 60 minutes dropped drastically by one order of magnitude as compared with those without it. Different structures developed during TMF were correlated to the difference in mechanical behavior for the two cases. The dislocations in the γ phase and the stacking faults (SFs) in the γ′ phase were quantitatively analyzed by transmission electron microscopy (TEM). This work verified that shearing of the γ′ precipitates occurred with a single-dislocation mechanism rather than a dislocation-reaction mechanism. The implications of this work on the design of superalloys are presented.     

Asymmetric Multidimensional Scaling of Brand Switching Among Margarine Brands

Behaviormetrika - Brand switching data among 12 margarine brands were analyzed by the asymmetric multidimensional scaling based on the singular value decomposition. A two-dimensional result was...