Theoretical study of hydrolysis mechanism of khellin

This paper describes khellin hydrolysis mechanism using semiemperical PM3 implemented in Gaussian 03 package. The calculations show that in the presence of an acidic media, an enolate molecular ion leads directly to ω-acetokhellinone while in the basic media it leads to khellinone.     

Glasses for lithography

The highest resolution in a lithographic process is often determined by the properties of the resist material. With the currently used polymeric resists, a resolution of better than 100 nm has been achieved under manufacturing conditions, but the future nanoscale devices will require a 10 times superior resolution. In this paper we present an overview of the resist materials, especially with regard to limiting resolution. In principle, inorganic resists should have higher limiting resolution than polymer resists due to smaller fundamental structural units and stronger bonds in the former. However, compositional and/or structural inhomogeneities may limit their ultimate resolution. New results are presented that indicate chalcogenide glasses as promising photo and electron beam resists, which also have the advantages of greater hardness, resistance to acids, easy fabrication in thin film form, and the unique phenomena like radiation enhanced diffusion.     

Space–time integrated least squares: a time‐marching approach

A time‐marching formulation is derived from the space–time integrated least squares (STILS) method for solving a pure hyperbolic convection equation and is numerically compared to various known methods. Copyright © 2004 John Wiley & Sons, Ltd.     

A co‐ordinate system independent streamwise upwind method for fluid flow computation

A new co‐ordinate invariant streamwise upwind formulation for convection dominated flows is developed. The eddy diffusivity/viscosity is added directly to the equations in order to remove the oscillations in the solution. The equations then can be solved by any high‐order scheme and the solution retains the accuracy of the high‐order scheme. The accuracy and reduced lateral thickness growth rate are demonstrated with several numerical examples, including pure convective flows and lid‐driven cavity flow. The lateral spreading due to the numerical diffusion is controlled by the anisotropic tensor. Copyright © 2004 John Wiley & Sons, Ltd.     

Inviscid,laminar and turbulent opposed flows

This paper attempts to reproduce numerically previous experimental findings with opposed flows and extends their range to quantify the effects of upstream pipes and nozzles with inviscid, laminar and turbulent flows. The choice of conservation equations, boundary conditions, algorithms for their solution, the degree of grid dependence, numerical diffusion and the validity of numerical approximations are justified with supporting calculations where necessary. The results of all calculations on the stagnation plane show maximum strain rates close to the annular exit from the nozzles and pipes for lower separations and it can be expected that corresponding reacting flows will tend to extinguish in this region with the extinction moving towards the axis. With laminar flows, the maximum strain rate increased with Reynolds number and the maximum values were generally greater than with inviscid flows and smaller than with turbulent flows. With large separations, the strain rates varied less and this explains some results with reacting flows where the extinction appeared to begin on the axis. The turbulent‐flow calculations allowed comparison of three common variants of a two‐equation first‐moment closure. They provided reasonable and useful indications of strain rates but none correctly represented the rms of velocity fluctuations on the axis and close to the stagnation plane. As expected, those designed to deal with this problem produced results in better agreement with experiment but were still imperfect. Copyright © 2004 John Wiley & Sons, Ltd.     

1,1‐Organoboration of bis(trimethylstannyl)ethyne with trimethylsilyl‐ and dimethylsilyl‐dialkylboryl‐substituted alkenes: organometallic‐substituted allenes

The reactions of bis(trimethylstannyl)ethyne, Me₃Sn–C?C–SnMe₃ ( 4 ), with trimethylsilyl‐ or dimethylsilyl‐dialkylboryl‐substituted alkenes 1 – 3 afford organometallic‐substituted allenes 5 , 6 and 8 , 9 in high yield. In the case of (E)‐2‐trimethylsilyl‐3‐diethylboryl‐2‐pentene ( 1) , a butadiene derivative 7 could be detected as an intermediate prior to rearrangement into the allene. All reactions were monitored by ²⁹Si and ¹¹⁹Sn NMR, and the products were characterized by an extensive NMR data set (¹H, ¹¹B, ¹³C, ²⁹Si, ¹¹⁹Sn NMR). Copyright © 2003 John Wiley & Sons, Ltd.     

A Note about the Appearance of Non-Hyperbolic Solutions in a Mechanical Pendulum System

The investigation of the behavior of a nonlinear system consists in theanalysis of different stages of its motion, where the complexity varieswith the proximity of a resonance region. Near this region the stabilitydomain of the system undergoes sudden changes due basically tocompetition and interaction between periodic and saddle solutions insidethe phase portrait, leading to the occurrence of the most differentphenomena. Depending of the domain of the chosen control parameter,these events can reveal interesting geometric features of the system sothat the phase portrait is not capable to express all them, since theprojection of these solutions on the two-dimensional surface can hidesome aspects of these events. In this work we will investigate thenumerical solutions of a particular pendulum system close to a secondaryresonance region, where we vary the control parameter in a restrictdomain in order to draw a preliminary identification about what happenswith this system. This domain includes the appearance of non-hyperbolicsolutions where the basin of attraction in the center of the phaseportrait diminishes considerably, almost disappearing, and afterwardsits size increases with the direction of motion inverted. Thisphenomenon delimits a boundary between low and high frequency of theexternal excitation.     

Letter: Some Remarks on Standing Gravitational Waves

An intuitive definition of standing gravitational waves is proposed. Some main classes of exact vacuum solutions are searched for standing gravitational waves, in most cases with a negative result. Only some Einstein–Rosen waves meet the conditions.     

Determining L-functions by twists

Suppose that L₁(s) and L₂(s) are two L-functions whose twists by a set of Dirichlet characters simultaneously vanish (vanish mod p) at a critical point. We examine the extent to which this property determines the L-functions in the cases of L-functions of elliptic curves, of number fields, and of curves over finite fields.