3D-QSAR and molecular docking studies of selective agonists for the thyroid hormone receptor beta

Three-dimensional quantitative structure-activity relationship (3D-QSAR) models were developed using comparative molecular field analysis (CoMFA) and comparative molecular similarity analysis (CoMSIA) on a series of agonists of thyroid hormone receptor beta (TRbeta), which may lead to safe therapies for non-thyroid disorders while avoiding the cardiac side effects. The reasonable q(2) (cross-validated) values 0.600 and 0.616 and non-cross-validated r(2) values of 0.974 and 0.974 were obtained for CoMFA and CoMSIA models for the training set compounds, respectively. The predictive ability of two models was validated using a test set of 12 molecules which gave predictive correlation coefficients (r(pred)(2)) of 0.688 and 0.674, respectively. The Lamarckian Genetic Algorithm (LGA) of AutoDock 4.0 was employed to explore the binding mode of the compound at the active site of TRbeta. The results not only lead to a better understanding of interactions between these agonists and the thyroid hormone receptor beta but also can provide us some useful information about the influence of structures on the activity which will be very useful for designing some new agonist with desired activity.     

ProxyServer中Cache的管理和使用

使用Ｃａｃｈｅ可以减少Ｂｒｏｗｅｒ的等待时间和降低代理服务器和Ｉｎｔｅｒｎｅｔ的通信量,本文主要介绍了Ｐｒｏｘｙ对Ｃａｃｈｅ管理和使用。     

Wave–current interaction with a vertical square cylinder at different Reynolds numbers

Railway Engineering Science - Large eddy simulation is performed to study three-dimensional wave–current interaction with a square cylinder at different Reynolds numbers, ranging from 1,000...     

An adaptive model-free resource and power management approach for multi-tier cloud environments

With the development of cloud environments serving as a unified infrastructure, the resource management and energy consumption issues become more important in the operations of such systems. In this paper, we investigate adaptive model-free approaches for resource allocation and energy management under time-varying workloads and heterogeneous multi-tier applications. Specifically, we make use of measurable metrics, including throughput, rejection amount, queuing state, and so on, to design resource adjustment schemes and to make control decisions adaptively. The ultimate objective is to guarantee the summarized revenue of the resource provider while saving energy and operational costs. To validate the effectiveness, performance evaluation experiments are performed in a simulated environment, with realistic workloads considered. Results show that with the combination of long-term adaptation and short-term adaptation, the fluctuation of unpredictable workloads can be captured, and thus the total revenue can be preserved while balancing the power consumption as needed. Furthermore, the proposed approach can achieve better effect and efficiency than the model-based approaches in dealing with real-world workloads.     

Buckling of carbon fiber composite pyramidal truss core sandwich columns

This paper deals with the theoretical prediction of global buckling loads for carbon fiber composite pyramidal truss core sandwich columns. Different from thin plate structures, transverse shear effect can not be neglected for sandwich structures. In addition, the attributes of the laminated face sheets are considered in the present paper. A zig-zag displacement approximation is made. Based on the principle of minimum potential energy, equilibrium equations and boundary conditions are derived via the variational method. The critical buckling loads under various boundary conditions are presented. In order to validate the reasonableness of the equivalent-core method, the strain energies stored in the actual discrete truss members and the equivalent continuous homogenous core layer are calculated respectively and compared, and a good agreement is obtained. The proposed analytical method is verified by comparing with the published theoretical predictions and experimental results.     

Model test of helical angle effect on coal loading performance of shear drum

The work presented in this paper focuses on improving coal loading performance of shear drum.Employing the similarity theory,we carried out a dimensional analysis of the correlation parameters which in...     

一种提高嵌入式系统UBI分区挂载速度的设计方案与研究

根据Linux嵌入式系统UBI分区的挂载原理,在系统关机时预先扫描UBI设备中PEB块的相关头信息,并进行相关压缩处理后存储在UBI分区中的指定物理位置,使得系统下次开机时内核可直接读取预先存储的扫描信息,节省了大量时间.以关机时间换取开机速度的提高,在大量使用UBIFS的基于NAND flash嵌入式系统应用中有很好的优势.     

乙烯装置裂解气分馏及冷却的模拟计算

对于含有众多复什碳氢化合物的裂解汽油、裂解柴油和裂解燃料油等宽馏分以及氢、轻烃、大量水分的裂解气，采用虚拟组分以减少组分总数、用惰性气体描述水在烃类中的相行为，以物流混合和闪蒸过程组成一个闪蒸平衡级，并以逐级闪蒸计算来描述乙烯装置的裂解气分馏塔。     

全电动注塑机的特点及应用领域

重点分析了全电动注塑机与全液压注塑机的不同之处,简单地概述了国内塑料工业发展落后的现状以及把我国建成注塑机生产强国的突破口。详细介绍了全电动注塑机的应用领域,并展望了全电动注塑机的发展。