Theoretical calculations for solid oxygen under high pressure

The crystal structure of solid oxygen at low temperatures and at pressures up to 7 GPa is studied by theoretical calculations. In the calculations, the adiabatic potential of the crystal is approximated by a superposition of pair-potentials between oxygen molecules calculated by an ab-initio method. The monoclinic alpha structure is stable up to 6 GPa and calculated lattice parameters agree well with experiments. The origin of a distortion and that of an anisotropic lattice compressibility of the basal plane of alpha-O2 are clearly demonstrated. In the pressure range from 6 to 7 GPa, two kinds of structures are proposed by X-ray diffraction experiments: the alpha and orthorhombic delta structures. It is found that the energy difference between these structures becomes very small in this pressure range. The relation between this trend and the incompatible results of X-ray diffraction experiments is discussed.Comment: 12 pages, 6 figure

High Excitation Molecular Gas in the Galactic Center Loops; 12CO(J =2-1 and J =3-2) Observations

We have carried out 12CO(J =2-1) and 12CO(J =3-2) observations at spatial resolutions of 1.0-3.8 pc toward the entirety of loops 1 and 2 and part of loop 3 in the Galactic center with NANTEN2 and ASTE. These new results revealed detailed distributions of the molecular gas and the line intensity ratio of the two transitions, R3-2/2-1. In the three loops, R3-2/2-1 is in a range from 0.1 to 2.5 with a peak at ~ 0.7 while that in the disk molecular gas is in a range from 0.1 to 1.2 with a peak at 0.4. This supports that the loops are more highly excited than the disk molecular gas. An LVG analysis of three transitions, 12CO J =3-2 and 2-1 and 13CO J =2-1, toward six positions in loops 1 and 2 shows density and temperature are in a range 102.2 - 104.7 cm-3 and 15-100 K or higher, respectively. Three regions extended by 50-100 pc in the loops tend to have higher excitation conditions as characterized by R3-2/2-1 greater than 1.2. The highest ratio of 2.5 is found in the most developed foot points between loops 1 and 2. This is interpreted that the foot points indicate strongly shocked conditions as inferred from their large linewidths of 50-100 km s-1, confirming the suggestion by Torii et al. (2010b). The other two regions outside the foot points suggest that the molecular gas is heated up by some additional heating mechanisms possibly including magnetic reconnection. A detailed analysis of four foot points have shown a U shape, an L shape or a mirrored-L shape in the b-v distribution. It is shown that a simple kinematical model which incorporates global rotation and expansion of the loops is able to explain these characteristic shapes.Comment: 59 pages, accepted to PAS

Stimulatory effect of cytochalasin D on antigen-induced phospholipase D activation in a murine mast cell model (RBL-2H3)

To investigate the possible involvement of cytoskeletal components in antigen (Ag)-mediated activation of phospholipase D (PLD) in rat basophilic leukemia (RBL-2H3) cells, the effects of cytochalasin D, which is known to interfere with actin organization in various cells, on Ag-induced PLD activity were examined. Cytochalasin D, at concentrations that induced distinct shape changes of RBL-2H3 cells, enhanced the Ag-induced 5-HT (serotonin) release and formation of phosphatidylbutanol (PBut), a specific and stable metabolite produced by PLD activity in a concentration-dependent manner. Concomitantly, Ag-induced 1,2-diacylglycerol (DG) accumulation as well as phosphatidic acid (PA) production were increased by the drug. In contrast, cytochalasin D had no effect on PLD activation in response to phorbolmyristate acetate, an activator of protein kinase C (PKC), and Ca2+ ionophore A23187. These results suggest that cytoskeletal components may modulate Ag-induced PLD activation upstream of PKC and Ca2+ in RBL-2H3 cells

Effect of ionic size on solvate stability of glyme-based solvate ionic liquids

A series of binary mixtures composed of glymes (triglyme, G3; tetraglyme, G4; pentaglyme, G5) and alkali-metal bis(trifluoromethanesulfonyl)amide salts (M[TFSA]; M = Li, Na, and K) were prepared, and the correlation between the composition and solvate stability was systematically investigated. Their phase diagrams and Raman spectra suggested complexation of the glymes with M[TFSA] in 1:1 and/or 2:1 molar ratio(s). From isothermal stability measurements, it was found that the formation of structurally stable complexes in the solid state did not necessarily ensure their thermal stability in the liquid state, especially in the case of 2:1 complexes, where uncoordinating or highly exchangeable glyme ligands existed in the molten complexes. The phase-state-dependent Raman spectra also supported the presence of free glymes in certain liquid complexes. The effect of the electric field induced by the alkali-metal cations on the oxidative stability of certain glyme complexes was examined by linear sweep voltammetry and quantum chemical calculations. Although the actual oxidative stability of complexes did not necessarily reflect the calculated HOMO energy levels of the glymes, the strong electric field induced by the smaller M+ cations and proper coordination structures impart high stability to the glyme complexes. The results of thermogravimetry of complexes with different M+ cations revealed that a balance of competitive interactions of the M+ ions with the glymes and [TFSA]- anions predominates the thermal stability. (Chemical Equation Presented)