Diffusional anomaly and network dynamics in liquid silica

The present study applies the power spectral analysis technique to understand the diffusional anomaly in liquid silica, modeled using the Beest-Kramer-van Santen (BKS) potential. Molecular-dynamics simulations have been carried out to show that power spectrum of tagged particle potential energy of silica shows a regime with 1f(alpha) dependence on frequency f which is the characteristic signature of multiple time scale behaviour in networks. As demonstrated earlier in the case of water [J. Chem. Phys. 122, 104507 (2005)], the variations in the mobility associated with the diffusional anomaly are mirrored in the scaling exponent alpha associated with this multiple time scale behavior. Our results indicate that in the anomalous regime, as the local tetrahedral order decreases with temperature or pressure, the coupling of local modes to network reorganizations increases and so does the diffusivity. This symmetry-dependence of the vibrational couplings is responsible for the connection between the structural and diffusional anomalies.     

Dissipation and criticality in the lowest Landau level of graphene

The lowest Landau level of graphene is studied numerically by considering a tight-binding Hamiltonian with disorder. The Hall conductance sigma_{xy} and the longitudinal conductance sigma_{xx} are computed. We demonstrate that bond disorder can produce a plateaulike feature centered at nu=0, while the longitudinal conductance is nonzero in the same region, reflecting a band of extended states between +/-E_{c}, whose magnitude depends on the disorder strength. The critical exponent corresponding to the localization length at the edges of this band is found to be 2.47+/-0.04. When both bond disorder and a finite mass term exist the localization length exponent varies continuously between approximately 1.0 and approximately 7/3.     

Study of compressibility in vascular rheology

Summary Stresses and strains in vascular tissues are studied in the paper, considering the material to be nonlinearly viscoelastic and compressible. Structural anisotropy is also taken into account. A numerical study of the derived expressions shows that consideration of even a low compressibility for vascular material has got a significant effect on the nonlinear stress-field in vascular walls.

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Zusammenfassung In dieser Arbeit werden die Spannungen und Dehnungen in Blutgefäßen untersucht unter der Annahme, daß sich die Materialien nicht-linear viskoelastisch und kompressibel verhalten. Auch die Anisotropie der Struktur wird berücksichtigt. Die numerische Auswertung der abgeleiteten Ausdrücke zeigt, daß die Einbeziehung einer auch nur geringen Kompressibilität des Gewebematerials einen signifikanten Effekt auf das nicht-lineare Spannungsfeld in den Gefäßwänden ergibt.

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With 2 figures     

Bacopasides III-V: three new triterpenoid glycosides from Bacopa monniera

Three new saponins, designated as bacopasides III, IV and V have been isolated from Bacopa monniera WETTST. and their structures have been elucidated as 3-O-alpha-L-arabinofuranosyl (1-->2)-beta-D-glucopyranosyl jujubogenin (1), 3-O-beta-D-glucopyranosyl (1-->3)-alpha-L-arabinopyranosyl jujubogenin (2) and 3-O-beta-D-glucopyranosyl (1-->3)-alpha-L-arabinopyranosyl pseudojujubogenin (3) mainly on the basis of two dimensional (2D) NMR and other spectral analyses.     

Supplier Performance and Order Allocation

A supplier's overall performance can be gauged by his unit price and adherence to quality standards and delivery schedules. The cost of substandard quality and non-adherence to delivery schedule is computed and added to the cost of purchase. A set of order quantity and supplier combination is chosen dynamically and the total cost computed to determine the best choice (least total cost).     

Synthesis and structure of a binuclear ruthenium 4-chlorobenzamidato complex

The compound Ru₂Cl(4-Cl-C₆H₄CONH)₄ was prepared by reaction of Ru₂Cl(O₂CCH₃)₄ with 4-Cl-C₆H₄CONH₂ at 180°C. Crystals of the composition Ru₂Cl(4-Cl-C₆H₄CONH)₄CH₃OH were obtained by slow diffusion of CH₃OH containing Et₄NCl into a Me₂SO solution of the compound. The structure of the crystalline product, which loses solvent of crystallization on removal from the mother liquor, was solved by X-ray crystallography by mounting a single crystal in a capillary containing the mother liquor. The crystals belong to the space group P1? (triclinic crystal system) with a = 12.731(3) Å, b = 14.389(3) Å, c = 12.604(3) Å, α = 103.41(2)°, β = 106.43(2)°, γ = 64.90(2)°, V = 1988.6(8) ų and Z = 2. There are two half ruthenium dimers linked by a Cl atom and an uncoordinated solvent CH₃OH molecule per asymmetric unit. The ruthenium dimers lie on two centers of inversion at 0, 0, 0 and 1/2, 0, 0. The chloride ions bridge dinuclear cations in the crystal, forming infinite zigzag chains. The average Ru-Ru distance is 2.296[1] Å and each ruthenium atom has a RuClN₂O₂ coordination sphere where the average Ru′-Ru-Cl angle is virtually linear (175.68[6]°). The metal oxidation states in the complex are + 2 and + 3, giving an average value of + 2.5. The arrangement of four bridging 4-Cl-benzamidato ligands is of the 2 : 2 type. The average Ru-N, Ru-O, Ru-Cl distances and Ru(1)-Cl(1)-Ru(2) angle are 2.036[6] Å, 2.044[5] Å, 2.583[2] Å and 117.26(8)°, respectively. The IR spectrum of the compound shows two N-H stretches at 3380 and 3340 cm^?1. The electronic spectrum of the compound in Me₂SO exhibits bands at 558 nm (ε = 340 M^?1 cm^?1), 425 nm (1000) and 320 nm (22,700).