Charge density study under high pressure

The experimental and analytical method of the high-pressure powder experiment at BL10XU, SPring-8, is described. There is no doubt that BL10XU must be one of the most appropriate beam lines for high pressure X-ray diffraction experiment taking advantage of third generation synchrotron source. As an example of the advanced charge density study under high pressure, the structural change of Cs₂Au₂Br₆ by applying pressure is studied by Rietveld/MEM analysis. It reveals that the structural change of Cs₂Au₂Br₆ by applying pressure occurs basically at electron level, such as valence state change and chemical bonding, which may be called the electronic phase transition.     

Polarity control of GaN epilayers grown on ZnO templates

We report the successful growth of Ga-polar GaN epilayers on O-polar ZnO templates pre-deposited on c-sapphire. Prior to GaN growth, NH₃ is exposed onto the ZnO template. The polarity of the GaN layers is confirmed by etching of the surface and by conversion beam electron diffraction (CBED), while the O-polar ZnO is confirmed by CBED. It is suggested that the NH₃ pre-exposure helps form a Zn₃N₂ layer, which possesses inversion symmetry and inverts the crystal from anion polar to cation polar.     

Probing for electrical inclusions with complex spherical waves

Let a physical body Ω in ?² or ?³ be given. Assume that the electric conductivity distribution inside Ω consists of conductive inclusions in a known smooth background. Further, assume that a subset Γ ? ?Ω is available for boundary measurements. It is proved using hyperbolic geometry that certain information about the location of the inclusions can be exactly recovered from static electric measurements on Γ. More precisely: given a ball B with center outside the convex hull of Ω and satisfying (B? ∩ ?Ω) ? Γ, boundary measurements on Γ with explicitly given Dirichlet data are enough to determine whether B intersects the inclusion. An approximate detection algorithm is introduced based on the theory. Numerical experiments in dimension two with simulated noisy data suggest that the algorithm finds the inclusion‐free domain near Γ and is robust against measurement noise. © 2007 Wiley Periodicals, Inc.     

Crystallographic report: Bis{µ‐[O‐cyclopentyl(4‐methoxyphenyl)dithiophosphonato]1κ:S,2κ:S‐[O‐cyclopentyl(4‐methoxyphenyl)dithiophosphonato]‐1κ2S,S′}dicadmium(II)

The centrosymmetric title compound, [Cd₂{CH₃OC₆H₄P(OC₅H₉)S₂}₄], features an eight‐membered [? Cd? S? P? S? ]₂ ring owing to the presence of bridging dithiolate ligands. Tetrahedral coordination geometries for cadmium are completed by chelating ligands. Copyright © 2004 John Wiley & Sons, Ltd.     

Phase transitions of lanthanide monophosphides with NaCl-type structure at high pressures

Lanthanide monophosphides LnP (Ln = La, Ce, Pr, Nd, Sm, Gd, Tb, Tm and Yb) with a NaCl-type structure have systematically been prepared at high temperatures. Using synchrotron radiation, X-ray diffractions of LnP have been studied up to 61 GPa at room temperature. The NaCl---CsCl transition for CeP is found at around 25 GPa. First-order phase transitions of LnP (Ln = La, Pr and Nd) with the crystallographic change occur at around 24, 26 and 30 GPa, respectively. The structure of the high pressure phases of these phosphides is a body center tetragonal structure (Ln: 0, 0, 0; P: 1/2, 1/2, 1/2; space group P4/mmm), which can be seen as the distorted CsCl-type structure. The Pr---P distance in the high pressure form of PrP is 2.789 Å. This almost agrees with the sum of covalent radii of Pr and P. The Pr---P bond has the covalent character at very high pressures. Similar results are also obtained for LaP and NdP. The pressure-induced phase transitions of SmP, GdP, TbP, TmP and YbP occur at around 35, 40, 38, 53 and 51 GPa, respectively. The structure of the high pressure phase is unknown. The phase transitions of LnP with many f-electrons are not due to the mechanism of the ordinary NaCl---CsCl transition. The transition pressures of LnP increase with decreasing the lattice constants in the NaCl-type structure, which decrease with increasing atomic number of the lanthanide atoms.     

Threshold for Millimeter-Wave (60 GHz)-Induced Ocular Injury

Journal of Infrared, Millimeter, and Terahertz Waves - Millimeter waves (MMW) absorbed by skin or cornea may induce damage by heat. We have developed a 60 GHz MMW exposure-induced eye...     

Practical enantioselective synthesis of endothelin antagonist S-1255 by dynamic resolution of 4-methoxychromene-3-carboxylic acid intermediate

A practical multikilogram-scale synthesis of enantiomerically pure S-1255 (1), a potent and orally active ET(A) receptor antagonist, is described. Utilizing readily available starting materials and reagents, the entire sequence of reactions starting from 2,5-dihydroxyacetophenone 8 proceeded under mild conditions to give 1 in an excellent chemical yield (8 steps, 41% overall yield) and in a high enantiopurity (98% ee). The crucial step of the synthesis is a dynamic resolution of key intermediate 16. (R)-Methoxy acid (R)-16 having 97-99% ee was obtained in 83-84% yield from racemic 16 as a crystalline (1S,2R)-(+)-norephedrine or (+)-cinchonine salt by the dynamic resolution comprising concurrent crystallization and in situ racemization. A mechanism of the dynamic resolution through a ring-opened zwitterionic intermediate is discussed. In the final synthetic step, an effective carbon-carbon bond formation between the C4 carbon and the p-anisyl group was accomplished by a conjugate addition-elimination reaction of Grignard reagent 3 to (R)-16 to give 1 having 98% ee. Owing to high efficiencies of functional group transformations, carbon-carbon bond formations, and the dynamic resolution, the synthesis required no chromatographic purification and was amenable to a multikilogram-scale preparation. Several kilograms of 1 for clinical trials were successfully prepared by this process.     

Synthesis of (±)-ascochlorin,an antiviral antibiotic

(±)-Ascochlorin, 5-chloro-2, 4-dihydroxy-6-methyl-3-[(2$\text{E}$, 4$\text{E}$)-5-(1,2,6-trimethyl-3-oxocyclohexyl)3-methyl-3,4-pentadienyl] benzaldehyde, was synthesized in 14 steps from (±)-3,4-dimethyl-2-cyclohexenone.     

Effect of various halide salts on the incompatibility of cyanocobalamin and ascorbic acid in aqueous solution

Combination of cyanocobalamin (VB12) and ascorbic acid (VC) has been widely seen in pharmaceutical products and dietary supplements. However, VB12 has been reported that its behavior in stability in aqueous solution is quite different when VC is mixed. In the present study, we examined the stabilities of these vitamins in acetate buffer (pH 4.8) using high performance liquid chromatography. Degradation of VB12 was not observed in the absence of VC in the buffer. However, when VC was mixed in the VB12 solution, VB12 concentrations decreased in accordance with VC degradation. VB12 and VC degradations were inhibited by adding sodium halides to acetate buffer at pH 4.8. These stabilization effects were also observed in the range from pH 3.5 to 5.3 and by adding potassium, magnesium, and calcium halides. Furthermore, our data demonstrated that increases in the halide anion concentrations and atomic number (Cl-相似文献