Gas chromatographic enantiomer separation on single and mixed cyclodextrin derivative chiral stationary phases

Capillary gas chromatographic enantiomer separation of some polar compounds, including alpha-phenylethylamine, styrene oxide, pyrethroid insecticides and other carboxylates, was investigated on modified cyclodextrin (CD) chiral stationary phases. The chiral stationary phases studied included permethylated beta-CD (PMBCD), heptakis (2,6-di-O-butyl-3-O-butyryl)-beta-CD (DBBBCD), heptakis (2,6-di-O-nonyl-3-O-trifluoroacetyl)-beta-CD (DNTBCD), the mixture of PMBCD and DBBBCD, and the mixture of PMBCD and DNTBCD. On the mixed chiral stationary phases containing the mixtures of derivatized cyclodextrins, enantiomer separation was improved significantly for some compounds as compared to the single cyclodextrin derivative chiral stationary phases, and synergistic effects were observed for some compounds on the mixed cyclodextrin derivative chiral stationary phases.

A further discussion on basic equations for two-phase flow: On collision stress of solid phase

The following points are argued: (i) there are two independent kinds of interaction on interfaces, i.e. the interaction between phases and the collision interaction, and the jump relations on interfaces can accordingly be resolved; (ii) the stress in a particle can also be divided into background stress and collision stress corresponding to the two kinds of interaction on interfaces respectively; (iii) the collision stress, in fact, has no jump on interface, so the averaged value of its derivative is equal to the derivative of its averaged value; (iv) the stress of solid phase in the basic equations for two\|phase flow should include the collision stress, while the stress in the expression of the inter\|phase force contains the background one only. Based on the arguments, the strict method for deriving the equations for two\|phase flow developed by Drew, Ishii et al. is generalized to the dense two\|phase flow, which involves the effect of collision stress.

Static Study of Cantilever Beam stiction under Electrostatic Force Influence

The model and analysis of the cantilever beam adhesion problem under the action of electrostatic force are given. Owing to the nonlinearity of electrostatic force, the analytical solution for this kind of problem is not available. In this paper, a systematic method of generating polynomials which are the exact beamsolutions of the loads with different distributions is provided. The polynomials are used to approximate the beam displacement due to electrostatic force. The equilibrium equation offers an answer to how the beam deforms but no information about the unstuck length. The derivative of the functional with respect to the unstuck length offers such information. But to compute the functional it is necessary to know the beam deformation. So the problem is iteratively solved until the results are converged. Galerkin and Newton-Raphson methods are used to solve this nonlinear problem. The effects of dielectric layer thickness and electrostatic voltage on the cantilever beamstiction are studied.The method provided in this paper exhibits good convergence. For the adhesion problem of cantilever beam without electrostatic voltage, the analytical solution is available and is also exactly matched by the computational results given by the method presented in this paper.

Shallow Water Model On Cubed-Sphere By Multi-Moment Finite Volume Method

A global numerical model for shallow water flows on the cubed-sphere grid is proposed in this paper. The model is constructed by using the constrained interpolation profile/multi-moment finite volume method (CIP/MM FVM). Two kinds of moments, i.e. the point value (PV) and the volume-integrated average (VIA) are defined and independently updated in the present model by different numerical formulations. The Lax-Friedrichs upwind splitting is used to update the PV moment in terms of a derivative Riemann problem, and a finite volume formulation derived by integrating the governing equations over each mesh element is used to predict the VIA moment. The cubed-sphere grid is applied to get around the polar singularity and to obtain uniform grid spacing for a spherical geometry. Highly localized reconstruction in CIP/MM FVM is well suited for the cubed-sphere grid, especially in dealing with the discontinuity in the coordinates between different patches. The mass conservation is completely achieved over the whole globe. The numerical model has been verified by Williamson's standard test set for shallow water equation model on sphere. The results reveal that the present model is competitive to most existing ones. (C) 2008 Elsevier Inc. All rights reserved.

Ancient Chinese algorithm: The Ying Buzu Shu (method of surplus and deficiency) vs Newton iteration method

Air exploratory discussion of an ancient Chinese algorithm, the Ying Buzu Shu, in about 2nd century BC, known as the rule of double false position in the West is given. In addition to pointing out that the rule of double false position is actually a translation version of the ancient Chinese algorithm, a comparison with well-known Newton iteration method is also made. If derivative is introduced, the ancient Chinese algorithm reduces to the Newton method. A modification of the ancient Chinese algorithm is also proposed, and some of applications to nonlinear oscillators are illustrated.

A new method for evaluation of stress intensities for interface cracks

A new method is presented for calculating the values of K-I and K-II in the elasticity solution at the tip of an interface crack. The method is based on an evaluation of the J-integral by the virtual crack extension method. Expressions for calculating K-I and K-II by using the displacements and the stiffness derivative of the finite element solution and asymptotic crack tip displacements are derived. The method is shown to produce very accurate solutions even with coarse element mesh.

Upwind compact method and direct numerical-simulation of driven flow in a square cavity

A high-order accurate finite-difference scheme, the upwind compact method, is proposed. The 2-D unsteady incompressible Navier-Stokes equations are solved in primitive variables. The nonlinear convection terms in the governing equations are approximated by using upwind biased compact difference, and other spatial derivative terms are discretized by using the fourth-order compact difference. The upwind compact method is used to solve the driven flow in a square cavity. Solutions are obtained for Reynolds numbers as high as 10000. When Re less than or equal to 5000, the results agree well with those in literature. When Re = 7500 and Re = 10000, there is no convergence to a steady laminar solution, and the flow becomes unsteady and periodic.

Transient Flows in Low Permeability Porous Media with Composite Start-Up Pressure Gradient

A new mathematical model for the transient flow in the composite low permeability is established. It is solved by FEM with different boundary conditions such as infinite, circular closed and constant pressure boundary conditions. The typical curves for transient wellbore pressure have been presented. It is shown that the pressure and pressure derivative curves with composite start-up pressure gradients have different slopes which are depended on the start-up pressure gradients and the mobility radios in different regions. The boundary effects are the same as the normal reservoirs without start-up pressure gradients. The study provides a new tool to analyze the transient pressure test data in the low permeability reservoir.

Numerical Solution for Polymer Transient Flows in a Circle Bounded Composite Formation

A new numerical model for transient flows of polymer solution in a circular bounded composite formation is presented in this paper. Typical curves of the wellbore transient pressure are yielded by FEM. The effects of non-Newtonian power-law index, mobility and boundary distance have been considered. It is found that for the mobility ratio larger than 1, which is favorable for the polymer flooding, the pressure derivative curve in log-log form rises up without any hollow. On the other hand, if the pressure derivative curve has a hollow and then is raised up, we say that the polymer flooding fails. Finally, the new model has been extended to more complicated boundary case.

A smoothing technique for discrete delta functions with application to immersed boundary method in moving boundary simulations.

The effects of complex boundary conditions on flows are represented by a volume force in the immersed boundary methods. The problem with this representation is that the volume force exhibits non-physical oscillations in moving boundary simulations. A smoothing technique for discrete delta functions has been developed in this paper to suppress the non-physical oscillations in the volume forces. We have found that the non-physical oscillations are mainly due to the fact that the derivatives of the regular discrete delta functions do not satisfy certain moment conditions. It has been shown that the smoothed discrete delta functions constructed in this paper have one-order higher derivative than the regular ones. Moreover, not only the smoothed discrete delta functions satisfy the first two discrete moment conditions, but also their derivatives satisfy one-order higher moment condition than the regular ones. The smoothed discrete delta functions are tested by three test cases: a one-dimensional heat equation with a moving singular force, a two-dimensional flow past an oscillating cylinder, and the vortex-induced vibration of a cylinder. The numerical examples in these cases demonstrate that the smoothed discrete delta functions can effectively suppress the non-physical oscillations in the volume forces and improve the accuracy of the immersed boundary method with direct forcing in moving boundary simulations.

Molecular Modeling and Affinity Determination of scFv Antibody: Proper Linker Peptide Enhances Its Activity

One of existing strategies to engineer active antibody is to link VH and VL domains via a linker peptide. How the composition, length, and conformation of the linker affect antibody activity, however, remains poorly understood. In this study, a dual approach that coordinates molecule modeling, biological measurements, and affinity evaluation was developed to quantify the binding activity of a novel stable miniaturized anti-CD20 antibody or singlechain fragment variable (scFv) with a linker peptide. Upon computer-guided homology modeling, distance geometry analysis, and molecular superimposition and optimization, three new linker peptides PT1, PT2, and PT3 with respective 7, 10, and 15 residues were proposed and three engineered antibodies were then constructed by linking the cloned VH and VL domains and fusing to a derivative of human IgG1. The binding stability and activity of scFv-Fc chimera to CD20 antigen was quantified using a micropipette adhesion frequency assay and a Scatchard analysis. Our data indicated that the binding affinity was similar for the chimera with PT2 or PT3 and ~24-fold higher than that for the chimera with PT1, supporting theoretical predictions in molecular modeling. These results further the understanding in the impact of linker peptide on antibody structure and activity.

The accuracy of Kirchhoff's approximation in describing the far field speckles produced by random self-affine fractal surfaces

Based on the rigorous formulation of integral equations for the propagations of light waves at the medium interface, we carry out the numerical solutions of the random light field scattered from self-affine fractal surface samples. The light intensities produced by the same surface samples are also calculated in Kirchhoff's approximation, and their comparisons with the corresponding rigorous results show directly the degree of the accuracy of the approximation. It is indicated that Kirchhoff's approximation is of good accuracy for random surfaces with small roughness value w and large roughness exponent alpha. For random surfaces with larger w and smaller alpha, the approximation results in considerable errors, and detailed calculations show that the inaccuracy comes from the simplification that the transmitted light field is proportional to the incident field and from the neglect of light field derivative at the interface.