Secondary Metabolites of Mahonia bealei

Chemistry of Natural Compounds -     

Fractional Derivatives Applied to Phase-Space Reconstructions

The concept and application of phase-space reconstructions are reviewed. Fractional derivatives are then proposed for the purpose of reconstructing dynamics from a single observed time history. A procedure is presented in which the fractional derivatives of time series data are obtained in the frequency domain. The method is applied to the Lorenz system. The ability of the method to unfold the data is assessed by the method of global false nearest neighbors. The reconstructed data is used to compute recurrences and correlation dimensions. The reconstruction is compared to the commonly used method of delays in order to assess the choice of reconstruction parameters, and also the quality of results.     

Higher order asymptotic solution of mode I crack growth in elastic-perfectly plastic media

A higher order asymptotic solution of near-tip field is studied for plane-atrain Mode-I quasi-static steady crack growth in the incompressible (v=1/2) elastic perfectly-plastic media. The results show that the near-tip stress and strain are fully continuous, and the strain possesses In (A/r) singularity at the crack tip. The expressions of the stress, strain and velocity in each region are also given. The project supported by National Natural Science Foundation of China     

One dimensional lattice gases with rapidly decreasing interaction

We consider the pressure and the correlation functions of a one dimensional lattice gas in which the mutual interaction decreases as r exp-n ^t, (r, t>0), when the interparticle distance n. We prove that such a system cannot show phase transitions of order k1 in the sense that the pressure and the correlation functions are infinitely differentiable with respect to any relevant parameter (such as the temperature or the chemical potential).     

Burnett simulation of flow and heat transfer in micro Couette flow using second-order slip conditions

The conventional Burnett equations with second-order velocity slip and temperature jump conditions were applied to the steady-state micro Couette flow of a Maxwellian monatomic gas. An analytical approach as well as a relaxation method was used to determine the velocity slip and temperature jump at the wall. Convergent solutions to the Burnett equations were obtained on arbitrary fine numerical grids for all Knudsen numbers (Kn) up to the limit of the equations’ validity. The Burnett equations with second-order slip conditions indicate a much better agreement with DSMC data over the first-order slip conditions at high Kn. The convergent Burnett solutions were obtained in orders of magnitude quicker than that with the corresponding DSMC simulation. The augmented Burnett equations were also introduced to model the flow but no obvious improvement in the results was found.     

Semiclassical Limit of the Gross-Pitaevskii Equation in an Exterior Domain

In this paper, we study the semiclassical limit of the Gross-Pitaevskii equation (a cubic nonlinear Schrödinger equation) with the Neumann boundary condition in an exterior domain. We prove that before the formation of singularities in the limit system, the quantum density and the quantum momentum converge to the unique solution of the compressible Euler equation with the slip boundary condition as the scaling parameter approaches 0.     

Convective heat transfer characteristics of microencapsulated phase change material suspensions in minichannels

A comparative experimental study was conducted in order to investigate the convective heat transfer characteristics of water-based suspensions of microencapsulated phase change material (MEPCM) flowing through rectangular copper minichannels. The hydraulic diameter of the channels was 2.71 mm. MEPCM particles with an average size of 4.97 μm were used to form suspensions with mass concentrations ranging from 0 to 20%. The comparative experiments were performed for varying mass flow rates in the laminar region and varying thermal conditions. The cooling performance of the MEPCM suspensions strongly depended on the mass flow rate and the MEPCM mass concentration. The 5% suspension always showed a better cooling performance than water resulting in lower wall temperatures and enhanced heat transfer coefficients within the whole range of mass flow rates. The suspensions with higher mass concentrations, however, were more effective only at low mass flow rates. At higher mass flow rates they showed a less effective cooling performance than water.     

A new Method for the Synthesis of 5-Benzyl-1-(2-Hydroxyethoxy Methyl)Uracil (Bau), A Potent Uridine Phosphorylase Inhibitor,And Its N3-And N1, N3, -Substituted Analogs

A new methodology for the synthesis of 5-benzyl-l-(2-hydroxyethoxymethyl)uracil (BAU)² (1), a potent uridine phosphorylase inhibitor, has been developed. The coupling of bis(trimethylsilyl) derivative of 5-benzyl uracil with 2-acetoxyethoxymethyl bromide, followed by removal of the protecting 0-acetyl group, afforded compound 1. However, treatment of the silyl derivatives of 5-benzyluracil with 2-acetoxyethyl acetoxymethyl ether in the presence of stannic chloride as catalyst, followed by deblocking, gave three products,1, 2 and 3, respectively.     

H2S splitting on Cu(110): Insight from combined periodic density functional theory calculations and microkinetic simulation

Practical copper (Cu)‐based catalysts for the water–gas shift (WGS) reaction was long believed to expose a large proportion of Cu(110) planes. In this work, as an important first step toward addressing sulfur poisoning of these catalysts, the detailed mechanism for the splitting of hydrogen sulfide (H₂S) on the open Cu(110) facet has been investigated in the framework of periodic, self‐consistent density functional theory (DFT‐GGA). The microkinetic model based on the first‐principles calculations has also been developed to quantitatively evaluate the two considered decomposition routes for yielding surface atomic sulfur (S*): (1) H₂S → H₂S* → SH* → S* and (2) 2H₂S → 2H₂S* → 2SH* → S* + H₂S* → S* + H₂S. The first pathway proceeding through unimolecular SH* dissociation was identified to be feasible, whereas the second pathway involving bimolecular SH* disproportionation made no contribution to S* formation. The molecular adsorption of H₂S is the slowest elementary step of its full decomposition, being related with the large entropy term of the gas‐phase reactant under realistic reaction conditions. A comparison of thermodynamic and kinetic reactivity between the substrate and the close‐packed Cu(111) surface further shows that a loosely packed facet can promote the S* formation from H₂S on Cu, thus revealing that the reaction process is structure sensitive. The present DFT and microkinetic modeling results provide a reasonably complete picture for the chemistry of H₂S on the Cu(110) surface, which is a necessary basis for the design of new sulfur‐tolerant WGS catalysts. © 2013 Wiley Periodicals, Inc.