New optimized flux difference schemes for improving high-order weighted compact nonlinear scheme with applications

To improve the spectral characteristics of the high-order weighted compact nonlinear scheme(WCNS),optimized flux difference schemes are proposed.The disadvantages in previous optimization routines,i.e.,reducing formal orders,or extending stencil widths,are avoided in the new optimized schemes by utilizing fluxes from both cell-edges and cell-nodes.Optimizations are implemented with Fourier analysis for linear schemes and the approximate dispersion relation(ADR)for nonlinear schemes.Classical difference schemes are restored near discontinuities to suppress numerical oscillations with use of a shock sensor based on smoothness indicators.The results of several benchmark numerical tests indicate that the new optimized difference schemes outperform the classical schemes,in terms of accuracy and resolution for smooth wave and vortex,especially for long-time simulations.Using optimized schemes increases the total CPU time by less than 4%.

Network analysis of primary active compounds in Danqi analogous formulas for treating cardiovascular disease

Objective:Used extensively to treat cardiovascular disease,Danqi analogous formulas(DQAF)include prescriptions for Danqi(DQ),Fufang Danshen(FFDS)and Qishen Yiqi(QSYQ).Differences in prescription compatibility result in varying emphases of DQAF in clinical application.Methods and results:Based on network analysis in this study,common and distinct mechanisms of DQAF actions on cardiovascular disease were analyzed at a systemic level.Components etargetsepathways models were developed by Cytoscape(http://www.cytoscape.org/);whereby,target information for active compounds was obtained based on the PharmMapper database(http://59.78.96.61/pharmmapper/),which was further used to search pathways using the Kyoto Encyclopedia of Genes and Genomes database(http://www.genome.jp/kegg/).Based on target and network analyses,we discovered RBP4 is a potential common target of DQAF,while mitogen-activated protein kinase 1(MAPK1)and glutathione S-transferase P were potential targets of FFDS and QSYQ,respectively.Furthermore,the potential of DQAF to treat cardiovascular disease occurs through effects on the endocrine,immune,and digestive systems,in addition to lipid,sugar and amino acid metabolic pathways.Whereas FFDS exhibits effects on Toll-like receptor,transforming growth factor beta and MAPK signaling pathways;QSYQ exerts effects on cyclic adenosine monophosphate signaling,as well as metabolism of glutathione and arachidonic acid.

A Scale-Invariant Fifth Order WCNS Scheme for Hyperbolic Conservation Laws

In this article,a robust,effective,and scale-invariant weighted compact nonlinear scheme(WCNS)is proposed by introducing descaling techniques to the nonlinear weights of the WCNS-Z/D schemes.The new scheme achieves an essentially non-oscillatory approximation of a discontinuous function(ENO-property),a scaleinvariant property with an arbitrary scale of a function(Si-property),and an optimal order of accuracy with smooth function regardless of the critical point(Cp-property).The classical WCNS-Z/D schemes do not satisfy Si-property intrinsically,which is caused by a loss of sub-stencils’adaptivity in the nonlinear interpolation of a discontinuous function when scaled by a small scale factor.A new nonlinear weight is devised by using an average of the function values and the descaling function,providing the new WCNS schemes(WCNS-Zm/Dm)with many attractive properties.The ENO-property,Si-property and Cp-property of the new WCNS schemes are validated numerically.Results show that the WCNS-Zm/Dm schemes satisfy the ENO-property and Si-property,while only the WCNS-Dm scheme satisfies the Cp-property.In addition,the Gaussian wave problem is solved by using successively refined grids to verify that the optimal order of accuracy of the new schemes can be achieved.Several one-dimensional shock tube problems,and two-dimensional double Mach reflection(DMR)problem and the Riemann IVP problem are simulated to illustrate the ENOproperty and Si-property of the scale-invariant WCNS-Zm/Dm schemes.

Prediction of the anti-inflammatory mechanisms of curcumin by module-based protein interaction network analysis

Curcumin,the medically active component from Curcuma longa(Turmeric),is widely used to treat inflammatory diseases.Protein interaction network(PIN) analysis was used to predict its mechanisms of molecular action.Targets of curcumin were obtained based on ChE MBL and STITCH databases.Protein–protein interactions(PPIs) were extracted from the String database.The PIN of curcumin was constructed by Cytoscape and the function modules identified by gene ontology(GO) enrichment analysis based on molecular complex detection(MCODE).A PIN of curcumin with 482 nodes and 1688 interactions was constructed,which has scale-free,small world and modular properties.Based on analysis of these function modules,the mechanism of curcumin is proposed.Two modules were found to be intimately associated with inflammation.With function modules analysis,the anti-inflammatory effects of curcumin were related to SMAD,ERG and mediation by the TLR family.TLR9 may be a potential target of curcumin to treat inflammation.

雷诺应力模型的ε_(β)自适应高阶离散化

雷诺应力模型(RSM)在模拟复杂流动时优于涡流黏性模型(EVM),且对高阶离散化有更高的要求.然而由于RSM方程的复杂性,其数值稳定性差,收敛性差.其中一个原因是在设计数值格式时没有充分考虑雷诺应力的特性.针对这一问题,本研究开发了一种自适应算法,根据雷诺应力的大小和平滑度调整ε_(β)值(非线性权重中的经验参数).该算法被引入到五阶加权紧致非线性格式(WCNS)中,并应用于RSM的高阶离散化.通过三个航空测试仿真实例对算法的性能进行了检验.数值结果表明,自适应算法可以将残差减少3个数量级,并预测梯度反转的正确权重.这表明将ε_(β)自适应算法应用于RSM的高阶离散化有利于提高收敛性和分辨率.