Characterization of new Pt(IV)–thiazole complexes: Analytical,spectral, molecular modeling and molecular docking studies and applications in two opposing pathways

New thiazole derivatives were synthesized and fully characterized, then coordinated with PtCl₄ salt. Also, the newly synthesized Pt(IV) complexes were investigated analytically (elemental and thermogravimetric analyses), spectrally (infrared, UV–visible, mass, ¹H NMR, ¹³C NMR, X‐ray diffraction) as well as theoretically (kinetics, modeling and docking). The data extracted led to the establishment of the best chemical and structural forms. Octahedral geometry was the only formula proposed for all complexes, which is favorable for d⁶ systems. The molecular ion peaks from mass spectral analysis coincide with all analytical data, confirming the molecular formula proposed. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) allowed discrimination of features between crystalline particles and other amorphous morphology. By applying Gaussian09 as well as HyperChem 8.2 programs, the best structural forms were obtained, as well as computed significant parameters. Computed parameters such as softness, hardness, surface area and reactivity led us towards application in two opposing pathways: tumor inhibition and oxidation activation. The catalytic oxidation for CO was conducted over PtO₂, which was yielded from calcination of the most reactive complex. The success of catalytic role for synthesized PtO₂ was due to its particulate size and surface morphology, which were estimated from XRD patterns and SEM images, respectively. The antitumor activity was tested versus HCT‐116 and HepG‐2 cell lines. Mild toxicity was recorded for two of the derivatives and their corresponding complexes. This degree of toxicity is more favorable in most cases, due to exclusion of serious side effects, which is coherently attached with known antitumor drugs.     

一种高精度的非平稳随机信号实时建模算法研究

针对传统的非平稳随机信号时变参数筹分模型算法的不足,论文把非平稳随机信号时变参数差分模型与一种带自适应遗忘因子的RLS算法结合起来,形成一种有效的非平稳随机信号实时建模算法,仿真分析表明该算法不仅能获得快的收敛速度而且能获得高的建模精度。     

硅微机械梳齿静电谐振器的建模与分析

基于参数化的计算机辅助设计（CAD）软件，对硅微机械梳齿静电谐振器进行了实体建模，以有限元分析软件为工具，进行了谐振器的模态分析，静态分析和谐响应分析，初步揭示了谐振器的静、动态特性，有助于改善设计效率和质量，展示了计算机辅助工程（CAE）技术在微机电系统（MEMS）研究中的重要作用。     

双波长稳频CO_2激光模糊控制系统的建模与优化

报导一种模糊逻辑控制系统的建模与优化方法。以此方法设计的模糊逻辑控制器，用于双波长稳频ＣＯ２激光器的控制得到令人满意的结果。     

Modeling ion implantation of HgCdTe

Ion implantation of boron is used to create n on p photodiodes in vacancy-doped mercury cadmium telluride (MC.T). The junction is formed by Hg interstitials from the implant damage region diffusing into the MC.T and annihilating Hg vacancies. The resultant doping profile is n⁺/n^-/p, where the n⁺ region is near the surface and roughly coincides with the implant damage, the n^- region is where Hg vacancies have been annihilated revealing a residual grown-in donor, and the p region remains doped by Hg vacancy double acceptors. We have recently developed a new process modeling tool for simulating junction formation in MC.T by ion implantation. The interstitial source in the damage region is represented by stored interstitials whose distribution depends on the implant dose. These interstitials are released into the bulk at a constant, user defined rate. Once released, they diffuse away from the damage region and annihilate any Hg vacancies they encounter. In this paper, we present results of simulations using this tool and show how it can be used to quantitatively analyze the effects of variations in processing conditions, including implant dose, annealing temperature, and doping background.     

有耗传输线的TLM模型法

本文从传输线理论出发，介绍了一种解决传输线问题的新方法－－TLM法。     

Momentum transport and torque scaling in Taylor-Couette flow from an analogy with turbulent convection

We generalize an analogy between rotating and stratified shear flows. This analogy is summarized in Table 1. We use this analogy in the unstable case (centrifugally unstable flow vs. convection) to compute the torque in Taylor-Couette configuration, as a function of the Reynolds number. At low Reynolds numbers, when most of the dissipation comes from the mean flow, we predict that the non-dimensional torque G = T/ν² L, where L is the cylinder length, scales with Reynolds number R and gap width η, G = 1.46η^3/2(1 - η)^-7/4 R ^3/2. At larger Reynolds number, velocity fluctuations become non-negligible in the dissipation. In these regimes, there is no exact power law dependence the torque versus Reynolds. Instead, we obtain logarithmic corrections to the classical ultra-hard (exponent 2) regimes: G = 0.50 . These predictions are found to be in excellent agreement with avail-able experimental data. Predictions for scaling of velocity fluctuations are also provided. Received 7 June 2001 and Received in final form 7 December 2001     

Thermodynamic modeling of native point defects and dopants of GaN semiconductors

A thermodynamic modeling of GaN was carried out to describe the thermodynamic behavior of native defects, dopants, and carriers (free electrons and holes) in GaN semiconductors. The compound energy model (CEM) was used. An unintentionally doped GaN was taken as an example. Oxygen was introduced into the model as the unintentionally doped impurity, according to the practical experimental phenomena. The energies of component compounds in the model were defined based on the results of the ab initio calculations and adjusted to fit experimental data. The thermodynamic properties of the defects and the oxygen doped were calculated to show the facility of the model.     

ON HYPERBOLIC TIME DISCOUNTING IN EXHAUSTIBLE RESOURCE MODELS: AN APPLICATION TO WORLD OIL RESOURCES

ABSTRACT. Recent research on discounting in long term economic models involves hyperbolic discounting, in which the marginal discount rate shrinks as time passes. To investigate hyperbolic discounting and exhaustible resource allocation, this work develops a discrete‐time world oil model and model solution procedure, then uses the model to examine the consequences of adopting conventional (constant annual) discounting when hyperbolic discounting is appropriate, of adopting one hyperbolic discount rate path when a different hyperbolic path is appropriate, and of adopting hyperbolic discounting when conventional discounting is appropriate. Five conventional and two hyperbolic discount rate paths are considered. One hyperbolic path is that used by Nordhaus and Boyer [2000]; the other is that recommended by Weitzman [2001]. The generality of the findings is also assessed.