Quinazoline Derivatives Designed as Efflux Pump Inhibitors: Molecular Modeling and Spectroscopic Studies

Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 and BG1190, proposed as EPIs. In silico approach investigates the pharmacodynamic and pharmacokinetic profile of BG1189 and BG1190 quinazolines. Molecular docking and predicted ADMET features suggest that BG1189 and BG1190 may represent attractive candidates as antimicrobial drugs. UV-Vis absorption spectroscopy was employed to study the time stability of quinazoline solutions in water or in dimethyl sulfoxide (DMSO), in constant environmental conditions, and to determine the influence of usual storage temperature, normal room lighting and laser radiation (photostability) on samples stability. The effects of irradiation on BG1189 and BG1190 molecules were also assessed through Fourier-transform infrared (FTIR) spectroscopy. FTIR spectra showed that laser radiation breaks some chemical bonds affecting the substituents and the quinazoline radical of the compounds.     

Epidemiological models with quadratic equation for endemic equilibria—A bifurcation atlas

The existence and occurrence, especially by a backward bifurcation, of endemic equilibria is of utmost importance in determining the spread and persistence of a disease. In many epidemiological models, the equation for the endemic equilibria is quadratic, with the coefficients determined by the parameters of the model. Despite its apparent simplicity, such an equation can describe an amazing number of dynamical behaviors. In this paper, we shall provide a comprehensive survey of possible bifurcation patterns, deriving explicit conditions on the equation's parameters for the occurrence of each of them, and discuss illustrative examples.     

拉曼放大器中放大的自发拉曼散射与拉曼开-关增益关系的研究

研究了拉曼放大器中放大的自发拉曼散射对拉曼开－关增益的影响，并提出了一种利用自发拉曼散射谱来调整拉曼放大器位曼开－关增益平坦的方法，实验采用4个波长为14xx nm的激光二极管作为抽运源，75km的G．652光纤作为传输介质，获得了C波段附近的光放大，同时对此给出了合理的理论解释。     

A boosted voltage generator for low-voltage DRAMs

This paper proposes a new two-stage two-phase VPP charge pump configured in such a manner that the body effect and the threshold voltage loss are eliminated. The newly proposed circuit is fabricated using 0.18 μm triple-well CMOS process and the measurement result shows that the VPP level tracks 3VDD when VDD is above the threshold voltage.     

A subdomain boundary element method for high‐Reynolds laminar flow using stream function‐vorticity formulation

The paper presents a new formulation of the integral boundary element method (BEM) using subdomain technique. A continuous approximation of the function and the function derivative in the direction normal to the boundary element (further ‘normal flux’) is introduced for solving the general form of a parabolic diffusion‐convective equation. Double nodes for normal flux approximation are used. The gradient continuity is required at the interior subdomain corners where compatibility and equilibrium interface conditions are prescribed. The obtained system matrix with more equations than unknowns is solved using the fast iterative linear least squares based solver. The robustness and stability of the developed formulation is shown on the cases of a backward‐facing step flow and a square‐driven cavity flow up to the Reynolds number value 50 000. Copyright © 2004 John Wiley & Sons, Ltd.     

地源热泵的运行特性模拟研究

依据圆柱源理论,建立起了耦合地面热泵机组和地下埋管换热器特性的模拟模型,该模型可用于长期运行的地源热泵系统的短时间步长运行特性模拟。探讨了模拟过程中有关参数的确定方法,并运用所建模型对地源热泵的冬季和夏季运行特性进行了模拟。运行特性模拟与实验数据的验证结果表明,所建模型可以对地源热泵的运行特性做出符合实际的预测。     

风冷热泵冷热水机组动态过程仿真

本文给出了风冷热泵冷热水机组动态过程模型。系统的高、低压段被分成制冷剂侧、管壁、以及水或空气侧三个控制容积。针对每个控制容积建立了质量和能量平衡的微分方程。由于压缩机、热力膨胀阀阀体、以及四通换向阀具有较小的热惯性,因而采用稳态模型描述压缩过程、膨胀过程、以及内泄露过程。膨胀阀感温包中的制冷剂温度对于蒸发器出口温度的延迟用一阶惯性环节来描述。通过“预测-校正”和“自适应步长”方法实现系统仿真。仿真结果与测试数据吻合良好。     

轴流泵端壁区域流动三维粘性数值计算

本文采用通用流场分析软件FLUENT,基于N-S方程,选用RNG κ—ε湍流模型与SIMPLEC算法,对轴流泵叶轮内部(及端壁间隙)流动进行了三维粘性数值计算。通过实验验证,表明数值计算结果和实测数据吻合较好。详细分析了叶顶附近流场形态以及叶轮出口轴向、周向速度分布,进行了性能预估。并给出了实验装置图。     

激光二极管端面抽运的棒状Yb：YAG激光器

分析了影响激光二极管抽运Yb：YAG激光器调Q效率的参量，推导了激光二极管端面脉冲抽运Yb：YAG晶体的速率方程，解出了双程抽运情况下的净抽运量子产率。利用数值计算方法，模拟了净抽运量子产率与晶体长度，抽运光脉冲宽度等关系，得出晶体长度的优化可以提高Yb：YAG激光器输出效率。计算了词Q Yb：YAG激光器的最大增益、最大储能，分析了放大自发辐射对于Yb：YAG能量存储的影响。同时给出了激光二极管端面抽运调Q Yb：YAG优化设计方法。这些分析和计算为实际器件的研制提供参考。     

中高温工质在蒸发器中的换热模拟分析

本文采用分布参数的方法,建立了水源热泵中普遍采用的壳管式蒸发器稳态数学模型.通过中高温水源热泵试验台的实验数据同模拟计算结果的对比,验证了数学模型的准确性。应用此数学模型对中高温工质HTR01、HTR02及R134a在蒸发器典型制热运行工况,进行了模拟计算。得出了三种工质制冷剂侧换热系数沿管长的变化关系并对三种工质的换热性能进行了对比分析,为采用中高温工质的水源热泵换热器设计提供了参考依据.