A search technique for global optimization in a chaotic environment

We describe a new algorithm which uses the trajectories of a discrete dynamical system to sample the domain of an unconstrained objective function in search of global minima. The algorithm is unusually adept at avoiding nonoptimal local minima and successfully converging to a global minimum. Trajectories generated by the algorithm for objective functions with many local minima exhibit chaotic behavior, in the sense that they are extremely sensitive to changes in initial conditions and system parameters. In this context, chaos seems to have a beneficial effect: failure to converge to a global minimum from a given initial point can often be rectified by making arbitrarily small changes in the system parameters.     

Enantiodiscrimination of racemic electrophiles by diketopiperazine enolates: asymmetric synthesis of methyl 2-amino-3-aryl-butanoates and 3-methyl-aspartates

Enolates of (S)-N,N′-bis-(p-methoxybenzyl)-3-iso-propylpiperazine-2,5-dione exhibit high levels of enantiodiscrimination in alkylations with (RS)-1-aryl-1-bromoethanes and (RS)-2-bromoesters, affording substituted diketopiperazines containing two new stereogenic centres in high de. Deprotection and hydrolysis of the resultant substituted diketopiperazines provides a route to the asymmetric synthesis of homochiral methyl 2-amino-3-aryl-butanoates and 3-methyl-aspartates in high de and ee.     

非负定阵元素的扰动和正定完备化

在保持非负定性不变的前提下,本文对矩阵每一元素容许多大的扰动作了进一步的研究, 将本文的结论和C．R．Johnson提出的部分正定阵的正定完备化进行比较,容易发现对已知的正定矩阵求扰动,本文的结论比用C．R.Johnson的正定完备化计算扰动形式上更简单,同时也给出了不同于C．R．Johnson的部分正定阵的正定完备化表示的另外一个公式,推出了这些正定完备化矩阵应具有的若干性质．     

Determination of trace levels of diosmin in a pharmaceutical preparation by adsorptive stripping voltammetry at a glassy carbon electrode.

A systematic study on the electrochemical behavior of diosmin in Britton-Robinson buffer (pH 2.0-10.0) at a glassy carbon electrode (GCE) was made. The oxidation process of the drug was found to be quasi-reversible with an adsorption-controlled step. The adsorption stripping response was evaluated with respect to various experimental conditions, such as the pH of the supporting electrolyte, the accumulation potential and the accumulation time. The observed anodic peak current at +0.73 V vs. Ag/AgCl reference electrode increased linearly over two orders of magnitude from 5.0x10(-8) M to 9.0x10(-6) M. A limit of detection down to 3.5x10(-8) M of diosmin at the GCE was achieved with a mean recovery of 97+/-2.1%. Based on the electrochemical data, an open-circuit accumulation step in a stirred sample solution of BR at pH 3.0 was developed. The proposed method was successfully applied to the determination of the drug in pharmaceutical formulations. The results compared favorably with the data obtained via spectrophotometric and HPLC methods.     

Three-dimensional radiative transfer in an anisotropically scattering, semi-infinite medium: generalized reflection function

Three-dimensional radiative transfer in an anisotropic scattering medium exposed to spatially varying, collimated radiation is studied. The generalized reflection function for a semi-infinite medium with a very general scattering phase function is the focus of this investigation. An integral transform is used to reduce the three-dimensional transport equation to a one-dimensional form, and a modified Ambarzumian's method is applied to formulate a nonlinear integral equation for the generalized reflection function. The integration is over both the polar and azimuthal angles; hence, the integral equation is said to be in the double-integral form. The double-integral, reflection function formulation can handle a variety of anisotropic phase functions and does not require an expansion of the phase function in a Legendre polynomial series. Complicated kernel transformations of previous single-integral studies are eliminated. Single and double scattering approximations are developed. Numerical results are presented for a Rayleigh phase function to illustrate the computational characteristics of the method and are compared to results obtained with the single-integral method. Agreement between the two approaches is excellent; however, as the transform variable increases beyond five the number of quadrature points required for the double-integral method to produce accurate solutions significantly increases. A new interpolation scheme produces accurate results when the transform variable is large.     

A comprehensive study of the long pulse Nd:YAG laser drilling of multi-layer carbon fibre composites

The results of an extensive experimental study of the free running Nd:YAG laser drilling of a multi-layer carbon fibre composite, where adjacent layers have differently orientated fibres, are reported. For holes drilled with the laser operating in fixed-Q mode at 1064 nm, parallel sections of blind holes illustrating discontinuities in the hole size along a given section direction will be shown to occur at the interface between adjacent layers. An explanation for this effect is proposed. Detailed single pulse drilling characteristics will be presented illustrating the exit hole diameter as a function of pulse energy and material thickness. These characteristics illustrate a ‘stable' drilling regime in which the exit hole diameters are least sensitive to changes in pulse energy or material thickness and a less ‘stable' regime in which they are more strongly dependent on these parameters. Drilling characteristics will be given for two different beam qualities, illustrating the greater drilling depth and reduced hole size achievable with an improved beam quality. Finally holes drilled through a 2 mm thick sample of material with multiple pulses are considered. Size distribution curves for entrance and exit holes will be presented. The total energy required (number of pulses × pulse energy) to drill through 2 mm thick material will be reported as a function of pulse energy in stationary air and argon atmospheres and in a partial vacuum, illustrating a threshold energy which is dependent upon the drilling atmosphere. The threshold energies will be discussed with reference to plasma formation and the reactivity of the drilling atmosphere.     

Isolation of mitogenic substance from sclerotia of Sclerotinia sclerotiorum IFO 9395 extracted with phosphate buffer.

The buffer extracts (3S) of sclerotia of Sclerotinia sclerotiorum IFO 9395 contained mitogenic substance(s) to murine splenocytes (Shinohara et al. Chem. Pharm. Bull., 38, 2219 (1990)). Although the native 3S was slightly mitogenic, heating of 3S induced significant mitogenic activity. To isolate the mitogen, we separated 3S by ion-exchange and gel filtration chromatographies. The isolated mitogen, named sclerogen, has a molecular mass of 32 kilodaltons (kDa) on sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and the isoelectric point (pI) of 5.9 by chromatofocusing. Sclerogen was significantly mitogenic in vitro against murine splenocytes after heat denaturation, and also showed the augmentation of the primary mixed lymphocyte reaction (MLR) in vitro. However, sclerogen did not show the activation of an alternative pathway of complement and hemagglutination activity. These results suggest that sclerogen is a unique mitogen which differs from lectins and shows mitogenicity after heat denaturation.     

熔融LiCl及其急冷非晶键取向序的分子动力学模拟研究

本文进一步讨论了我们新近提出的等近邻数键球谐函数方法,并通过分子动力学模拟研究了熔融LiCl及其急冷过程。对计算机模拟各时间步产生的瞬态构型进行平均,计算了不同温度下键序Q_l谱.将模拟Q_l谱与线性组合模型Q_l谱比较,观察到模拟Q_l谱与含90％局部正四面体结构的组合模型十分相似,表明熔融Licl及其急冷非晶中局部键取向序明显倾向于正四面体序。急冷过程中不同温度下局部键取向序可用同一线性组合模型描述,但模型方差随模拟温度明显变化。方差随温度而降低,且在发生玻璃态转变时有一显著下降。不同温度下的键角分布也作了计算,观察到键角分布在109°(正四面体局部结构键角)附近且分布峰随温度升高而展宽,与键序Q_l得到的结论一致。