QSAR Studies on the COX-2 Inhibition by 3,4-Diarylcycloxazolones Based on MEDV Descriptor

Selective inhibition of cyclooxygenase-2 (COX-2) might avoid the side effects of current available nonsteroidal antiinflammatory drugs while retaining their therapeutic efficacy. A novel variable selection and modeling method based on prediction is developed to construct the quantitative structure-activity relationships (QSAR) between the molecular electronegativity distance vector (MEDV) based on 13 atomic types and the biological activities of a set of selective cyclooxygenase-2 inhibitory molecules, 3,4-diarylcycloxazolones (DAA) plus indomethacin,naproxen, and celecoxib. Using multiple linear regression, a 5-variable linear model is developed with the calibrated correlation coefficient of 0.9271 and root mean square error of 0.17 in modeling stage and the validated correlation coefficient of 0.9030 and root mean square error of 0.20 in leave-one-out validation step, respectively. To further test the predictive ability of the model, 20 DAA compounds are picked up to construct a training set which is used to build a QSAR model and then the model is employed to predict the biological activities of the balance compounds. The predicted correlation coefficient and root mean square error are 0.9332 and 0.19, respectively.     

聚合物异核交叉弛豫及二维NOE谱

The heteronuclear cross-relaxation rates in polymers were determined by selective and conventional ~(13)C spin-lattice relaxation experiments, the proton-carbon distances were calculated by the theoretical formula, and two-dimensional NOE spectra of the polymers were also measured. The results showed that (1) the measured proton-carbon distances coincide with the distances from molecular models, (2) there is the observable dipolar cross-relaxation effect between the quaternary carbons and their neighboring protons, and (3) the optimum mixing times depend on the relaxation properties of the proton and carbon.     

基于视频积累的距离扩展目标检测

正确提取目标强散射中心,并对强散射中心的能量进行有效的积累,是高分辨率雷达距离扩展目标检测的关键.本文先根据最大信噪比原则估计出目标窗口,然后在此窗口中利用门限检测方法提取目标强散射中心,最后利用广义似然比方法推导了自适应单扫频周期径向积检测器.仿真结果表明比文献[1]提出的SSD-GLRT检测器的性能有较大的改善.     

双站合成孔径雷达的距离分辨特性

该文从雷达方程出发,研究了双站合成孔径雷达的信噪比关系和距离分辨特性,并给出了计算机仿真结果.     

抗癌新药德氮吡格及其衍生物的定量构效关系

按氢分类的分子电性距离矢量（Hydrogen-association classified molecular electronegafivity-distance vector,H-MEDV）是由4种类型原子间的相互作用得到的一种描述分子二维结构的拓扑描述子.本文根据H-MEDV来研究创新构型抗肿瘤药物德氮吡格（TNBG）及其衍生物活性与其结构之间的关系,利用多元线性回归和逐步回归,建立的4变量模型的相关系数R=0.862.对筛选后建立的模型用留一法交互检验的结果为Rcv=0.713,结果表明模型具有较好的预测能力和稳定性.     

仙人掌图的Wiener极化指数

图的Wiener极化指数定义为图中距离为3的无序点对的数目.本文给出仙人掌图的Wiener极化指数的显示表示,并导出若干特殊仙人掌图的极化指数公式.     

100G波分复用传输的关键技术

100Gb/s的关键技术主要体现在调制编码与复用、接收技术、FEC等多个方面。本文将将从这三个方面,介绍近期100G线路传输解决方案的最新进展与技术。     

Fitbit应用程序升级

<正>全球智能乐活科技品牌Fitbit近日在应用程序上推出了一项特色功能——MobileRun,使这款免费应用程序的功能性更强大、使用更便利。MobileRun利用智能手机上的GPS功能准确且轻松地对跑步、行走和远足活动进行追踪、记录和比较。Fitbit应用程序在iTunes和Google Play商店连接健身设备的下载应用程序中排名居于领先地位。具有GPS功能的"MobileRun"可以追踪速度、分段、时间、距离以及路线从而提高锻炼效果。     

我国光传输基础研究获重大突破

日前．我国“973”项目“超高速超大容量超长距离光传输基础研究”项目取得重大突破：由武汉邮科院牵头，