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.     

软光刻技术制备液晶显示用定向层

以偶氮聚合物光致表面起伏光栅为模板,制备聚二甲基硅氧烷(PDMS)弹性印章,再以可溶性聚酰亚胺(PI)为“墨水”,在石英玻璃上压印出具有规则起伏结构的PI薄膜.由此制备的PI薄膜显示出很好的使液晶分子定向排列的效果.此方法成本低、效率高,是一种实用的液晶定向层薄膜制备方法.     

微反应器和微聚合反应器

微反应器是指容量仅为零点几μm^3或宽度为1μm左右的反应“容器”，反应在这个微小区域内有控地进行。以表面科学与微制造技术为核心，新型微反应器近年来发展很快。本文介绍五种微反应器，即反相胶束微反应器，聚合物微反应器，固体模板微反应器，微条纹反应器和微聚合反应器，以及它们在各高科技领域中的可能应用。     

RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS

It is important to know the rate of intra-molecular contact formation in proteins in order to understand how proteins fold clearly. Here we investigate the rate of intra-molecular contact formation in short two-dimensional compact polymer chains by calculating the probability distribution p(r) of end-to-end distance r using the enumeration calculation method and HP model on two-dimensional square lattice. The probability distribution of end-to-end distance p(r) of short two-dimensional compact polymers chains may consist of two parts, i.e. p(r) = p1(r) p2(r), where p1(r) and p2(r) are different for small r. The rate of contact formation decreases monotonically with the number of bonds N, and the rate approximately conforms to the scaling relation of k(N) ∝ N-α. Here the value of α increases with the contact radius a and it also depends on the percentage of H (hydrophobic) residues in the sequences of compact chains and the energy parameters of εHH, εHP and εPP . Some comparisons of theoretical predictions with experimental results are also made. This investigation may help us to understand the protein folding.     

环境铅接触对健康的影响

环境中的铅污染已成为严重的问题。从铅的性质和存在。环境铅的接触，铅对人体健康的影响，铅中毒的治疗和预防进行了综述。并提出今后仍需进一步加强环境中的铅研究工作。寻求解决铅污染的新途径和新方法。     

职业性铅接触对行为功能的影响

对３５名铅作业工城套的行为功能测验，接触组与对照组比较，１６项行为功能测验中有１４项得分有统计学意义（Ｐ〈０．０１或Ｐ〈０．０５），半数项目行为功能测验得分有随着铅作业工人龄增长而呈该增或该减的趋势。作者认为铅对作业工人行为功能的影响是肯定的，用行为功能测验的方法来研究铅的神经毒性是可取的简便方法。     

职业性铅接触对血压影响的研究

对１１８名铅接触工人及１０８名对照组工人的血压研究发现，在血铅为４４．２６μｇ／ｄＬ时，铅接触工人的收缩压显著高于对照组，分组研究发现，收缩压在级组剂量－反应关系趋势，在血铅３０．２０μｇ／ｄＬ，收缩压显著高于对照组，多元逐步回归分析发现，在控制一些其他影响血压的因素后，铅接触工人的血铅水平与收缩压和舒张压均有剂量－反应关系。     

群环Z_nD_m的代数结构

讨论了当m,n为素数时,群环Z_nD_m的代数结构,给出了其单位群和零因子.     

格式要求

<正>(句末括号内是相关的国家标准)1.题名:不超过20个汉字,中英对照,反映论文内容,包含尽可能多的关键词。避免非公知的字符和长的公式。(GB 7713)2.作者:中文及拼音(姓前名后,均不缩写)。国外作者按国际惯例。(GB/T 16159)3.作者单位:中英对照,数码编号与作者的上标一致,单位全称,所在省市及邮政编码,英文中加国家名。     

空间直角坐标系下平面法向量的求法

1.平面法向量的＂内积＂求法 设平面α的法向量=（x,y,z）,在平面α内任找两个不共线的向量、b作为基底.根据⊥平面α,得·=0且·b=0,由此得到关于x,y,z的三元方程组,解此方程组时,先用其中一元表示另两元,再令该元为一恰当值,即可得到.例1设=（1,-2,3）,b=（-2,-1,2）是平面α的一组基底,求平面α的一法向量.