Velocity correlations in dense granular flows observed with internal imaging

We show that the velocity correlations in uniform dense granular flows inside a silo are similar to the hydrodynamic response of an elastic hard-sphere liquid. The measurements are made using a fluorescent refractive-index-matched interstitial fluid in a regime where the flow is dominated by grains in enduring contact and fluctuations scale with the distance traveled, independent of flow rate. The velocity autocorrelation function of the grains in the bulk shows a negative correlation at short time and slow oscillatory decay to zero similar to simple liquids. Weak spatial velocity correlations are observed over several grain diameters. The mean square displacements show an inflection point indicative of caging dynamics. The observed correlations are qualitatively different at the boundaries.     

Vibration characteristics of FGM circular cylindrical shells filled with fluid using wave propagation approach

The vibration characteristics of a functionally graded material circular cylindrical shell filled with fluid are examined with a wave propagation approach. The shell is filled with an incompressible non-viscous fluid. Axial modal dependence is approximated by exponential functions. A theoretical study of shell vibration frequencies is analyzed for simply supported-simply supported, clamped-simply supported, and clamped-clamped boundary conditions with the fluid effect. The validity and the accuracy of the present method are confirmed by comparing the present results with those available in the literature. Good agreement is observed between the two sets of results.     

Structure elucidation,DNA binding,DFT, molecular docking and cytotoxic activity studies on novel single crystal (E)-1-(2-fluorobenzylidene)thiosemicarbazide

Compound 3 {(E)-1-(2-fluorobenzylidene)thiosemicarbazide} – a new Schiff base of thiosemicarbazide has been synthesized, characterized and reported for crystal structure. Planer side chain in the crystal structure was observed co-planer with aromatic ring plane and molecules were connected into centrosymmetric dimmers via intermolecular hydrogen bonding. DFT geometry optimization and the relevant quantum parameters indicated unstable and reactive nature of compound 3. Experimental and theoretical findings for DNA binding by UV–visible, cyclic voltammetry and molecular docking studies showed consistency in kinetic (K_b) and thermodynamic (ΔG) parameters and that compound 3 significantly interacted with DNA via intercalation. Viscometric analysis further comprehended intercalation as possible binding mode of the compound with DNA and non-denaturing of DNA in the presence of 10% aqueous DMSO. Docked parameters further assured the drug like characteristics of the investigated compound as fit in Lipinski’s criteria. Dose dependant cytotoxic activity of compound 3 against human Huh-7 cell line indicated its anti-cancer potential at 100?µg/ml concentration.     

Structure Breaking/Making Property of Acefylline Piperazine in Aqueous,Aqueous Methanol,and Aqueous Ethylene Glycol Systems

Densities of acefylline piperazine (AP) in aqueous, aqueous methanol, and aqueous ethylene glycol (10% v/v) systems are determined in the concentration range 0.04-0.14±0.001 mol/dm³ at different temperatures (298.15-318.15 K) with the interval of 5 K. The apparent molar volume (φv), the partial molar volume \((\phi_v^0)\), and the ion-ion interaction parameter (S_v) are calculated using the Masson equation. Partial molar expansibilities \((\phi_E^0)\), which indicate the presence or absence of the caging or packing effect, are also evaluated and discussed. The results are interpreted in terms of solute-solvent and solute-solute interactions of AP in aqueous, aqueous methanol, and aqueous ethylene glycol systems. The structure-breaking and structure-making properties of AP are inferred by the sign of Hepler′s criterion \((\partial^2\phi_v^0/\partial{T}^2)_p\), i.e. the second derivative of the partial molar volume with respect to the temperature at the constant pressure.     

Synthesis of bisquinolone-based mono- and diphosphine ligands of the Aza-BINAP type

Mono- and bisphosphine ligands based on the 4,4'-bisquinolone structural framework (BIQUIP ligands) were generated by direct microwave-assisted palladium-catalyzed carbon-phosphorus cross-coupling reactions employing the corresponding heteroaryl bromides and diphenylphosphine as substrates.     

Optimization study of polyethylene glycol and solvent system for gas permeation membranes

Cellulose acetate (CA) membranes blended with Polyethylene glycol (PEG) in acetone–water solvent system were synthesized by using solution-casting method that resulted in the formation of flexible, white membranes. Different molecular weight (MW) grades of PEG (including MW 1000, 10,000 and 20,000?g/mol) were used. Cast membranes were tested for tensile strength and permeability at different loading of PEG MW 10,000 and 20,000?g/mol. Excellent flexible membranes were produced in acetone–water solvent system in the presence of PEG, which were otherwise brittle. Surface structure and morphology were analysed using scanning electron microscopy. The presence of different functional groups was confirmed using Fourier transform infra-red spectroscopy and the mechanical characteristics were studied by tensile testing. The introduction of PEG caused an increase in permeability of the membranes. The increase in permeability is due to the opening up of pores as the membrane becomes more flexible, when the plasticizer is added. The permeability continues to increase with the addition of PEG. Moreover, the resulting membranes are not only more flexible, but also have largely improved tensile strength as compared to the CA membranes without PEG. This improved tensile strength can also be attributed to the improved flexibility of the membrane. A trade-off is reached between tensile strength and permeability as increasing amount of PEG improves tensile strength but the resulting membrane becomes too permeable to be used for gas separation. Moreover, using PEG of higher MW resulted in porous membranes, even at low amounts of PEG. Therefore, we concluded that CA membrane with less amount of low-MW PEG (i.e. 5% PEG of MW 1000?g/mol) must be used to optimize both permeability and tensile strength of the membrane.     

Two new rare-class tetracyclic diterpenoids from Otostegia limbata

Two new tetracyclic diterpenoids trivially named as limbatenolide D (1) and limbatenolide E (2) have been isolated from Otostegia limbata. The structure elucidation of the compounds was based primarily on two-dimensional (2D) NMR techniques and on comparison with the literature data.     

Amphiphilicity-driven organization of nanoparticles into discrete assemblies

We present a method for organizing metallic nanoparticles in solution that is based on the hydrophobic effect and does not require either hydrogen bonding or molecular recognition. When amphiphilic V-shaped molecules are attached to a gold cluster, an aggregation process ensues in aqueous solution and leads to the formation of well-defined cylindrical and vesicular nanoarrays of particles. The metallic clusters densely pack at the boundary separating the hydrophobic core from the hydrophilic corona of the hybrid micelle-like aggregates. This design allows one to assemble and disassemble the nanoparticles in a reversible manner and control the size and the morphology of the arrays by changing the conditions of the solution preparation. The versatility of this method is demonstrated by its applicability to different metals with covalently attached amphiphilic arms with various chemical compositions (PS-PEO and PB-PEO) and molecular weights.