Analytic hierarchy based policy design method (AHPo) for solving societal problems that require a multifaceted approach

This paper proposes an AHP based statistical method for the design of a comprehensive policy alternative, AHPo, for solving societal problems that require a multifaceted approach. In the proposed method, criteria relevant to the goal or focus are structured in the same way as in the conventional AHP. However, these two methods are quite different in regard to the method of quantification. The new method predicts or analyses the impact of the policy alternatives on the overall goal. In other words, it predicts or rationalizes the way people appreciate the situation in which an alternative is adopted and implemented. It will serve as a tool for supporting (especially political) decision making.     

Accelerating cosmologies from spacelike branes

We point out that the recently proposed model of a flat four-dimensional universe with accelerated expansion in string or M theory is a special case of time-dependent solutions that the author found under the name of spacelike (S) branes. We also show that similar accelerating models can be obtained from S branes if the internal space is chosen to be hyperbolic or flat spaces.     

Plateaus in the dispersion of two-dimensional magnetoplasmons in GaAs quantum wells: theoretical evidence of an electron reservoir

The filling-factor-dependent plateau-type dispersion of the long-wavelength magnetoplasmon in high-mobility two-dimensional electron system observed by Holland et al. [Phys. Rev. Lett. 93, 186804 (2004)10.1103/PhysRevLett.93.186804] can be explained by the well-established semiclassical dispersion, by adopting the electron reservoir hypothesis previously proposed in order to explain the integer quantum Hall effects.     

Synthesis of antifungal glucan synthase inhibitors from enfumafungin

An efficient, new, and scalable semisynthesis of glucan synthase inhibitors 1 and 2 from the fermentation product enfumafungin 3 is described. The highlights of the synthesis include a high-yielding ether bond-forming reaction between a bulky sulfamidate 17 and alcohol 4 and a remarkably chemoselective, improved palladium(II)-mediated Corey-Yu allylic oxidation at the highly congested C-12 position of the enfumafungin core. Multi-hundred gram quantities of the target drug candidates 1 and 2 were prepared, in 12 linear steps with 25% isolated yield and 13 linear steps with 22% isolated yield, respectively.     

A practical ortho-rearrangement of silyl group of ortho-bromophenyl silyl ethers using magnesium(0)

A practical synthesis of ortho-silyl-substituted phenol from ortho-bromophenyl silyl ethers without using RLi is described. Various ortho-bromophenyl silyl ethers are treated with commercially available Mg turnings, which are easy to handle in air, and transfer of the silyl group to the ortho-position occurs in good to high yields. Selective mono-magnesiation of 2,6-dibromophenyl silyl ether is observed even in the presence of excess Mg, and ortho-bromo-6-silylphenol is obtained as the predominant product. The obtained ortho-silyl-substituted phenol is formylated with (CH₂O)_n/MgCl₂/Et₃N, and then condensation with a diamine leads to a silyl-substituted salen-type ligand in a good yield. This scheme is suitable for the large scale synthesis of silyl-substituted salen-type ligands bearing imine groups.     

Roles of K151 and D180 in L‐2‐haloacid dehalogenase from Pseudomonas sp. YL: Analysis by molecular dynamics and ab initio fragment molecular orbital calculations

L ‐2‐haloacid dehalogenase (L ‐DEX) catalyzes the hydrolytic dehalogenation of L ‐2‐haloalkanoic acids to produce the corresponding D ‐2‐hydroxyalkanoic acids. This enzyme is expected to be applicable to the bioremediation of environments contaminated with halogenated organic compounds. We analyzed the reaction mechanism of L ‐DEX from Pseudomonas sp. YL (L ‐DEX YL) by using molecular modeling. The complexes of wild‐type L ‐DEX YL and its K151A and D180A mutants with its typical substrate, L ‐2‐chloropropionate, were constructed by docking simulation. Subsequently, molecular dynamics (MD) and ab initio fragment molecular orbital (FMO) calculations of the complexes were performed. The ab initio FMO method was applied at the MP2/6‐31G level to estimate interfragment interaction energies. K151 and D180, which are experimentally shown to be important for enzyme activity, interact particularly strongly with L ‐2‐chloropropionate, catalytic water, nucleophile (D10), and with each other. Our calculations suggest that K151 stabilizes substrate orientation and balances the charge around the active site, while D180 stabilizes the rotation of the nucleophile D10, fixes catalytic water around D10, and prevents K151 from approaching D10. Further, D180 may activate catalytic water on its own or with K151, S175, and N177. These roles are consistent with the previous results. Thus, MD and ab initio FMO calculations are powerful tools for the elucidation of the mechanism of enzymatic reaction at the molecular level and can be applied to other catalytically important residues. The results obtained here will play an important role in elucidating the reaction mechanism and rational design of L ‐DEX YL with improved enzymatic activity or substrate specificity. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009     

Redox-responsive conformational alteration of aromatic amides bearing N-quinonyl system

Redox-induced conformational alteration of N-aryl-N-phenylamides, in which the N-aryl group consists of a hydroquinone–p-quinone system, was examined. The reduced form bearing a dihydroxyphenyl or dimethoxyphenyl group exists mainly in the E-form, whereas the oxidized form bearing a N-benzoquinone moiety takes the Z-form both in the crystal and in solution. This redox-induced conformational alteration is associated with a marked change in optical properties. This system appears to have suitable properties for use in external redox stimulus-responsive functional switching.     

Determination of localized states in porous silicon

We determined the density of state distribution near the Fermi level in porous silicon from the analysis of the current–voltage (J–V) and the current–thickness (J–T) characteristics in the space-charge-limited-current (SCLC) regime. The distribution exhibits a minimum density at the Fermi level, which is similar to the U-shape-trap-distribution observed in crystalline Si–SiO₂ interface or in amorphous Si. Theoretical analysis well explains both the J–V and the J–L characteristics, which implies that the current flow is entirely controlled by localized states situated at the quasi-Fermi level.     

Thermal behavior of perlite concrete used in a sodium-cooled fast reactor

Journal of Thermal Analysis and Calorimetry - In this study, the thermal behavior of the perlite concrete used in a sodium-cooled fast reactor was investigated for obtaining information on a plant...