元素化学教学方法探究

在元素化学教学中,通过密切联系实际、拉近化学与生活的距离、化学史的穿插以及环保意识的渗透等手段激发学生的学习兴趣;利用多媒体技术和网络学堂等现代手段,以求达到良好的教学效果。     

萜类化合物13C NMR化学位移的定量构谱相关研究

利用原子电性作用矢量(Atomic electro-negativity interaction vector,AEIV)和原子杂化状态指数(Atomic hybridization state index,AHSI)对萜类化合物中的C原子进行结构表征并与其核磁共振碳谱(13C NMR)建立了优良的定量构谱相关(QSSR)模型.其中29个单萜类化合物中的290个C原子建模的计算值经留一法(Leave-one-out,LOO)交互校验(Cross-validation,CV)预测值的复相关系数(R)分别为0.9900和0.9867,进一步使用倍半萜、二萜、三萜化合物分子中65个C原子的13C NMR化学位移值来检测该模型的稳定性,模型预测值和观测值间复相关系数(R)为0.9777,取得了令人满意的结果.     

头发锌含量测定的应用价值评价

以114例2－5岁儿童为对象，同时取其末梢血和头发，测定锌含量。以全血锌值为标准，评价头锌测定的应用价值。结果显示，头发锌测定的灵敏度可达86．1％，特异度为52．4％，符合率为73．7％。     

有限型的首次返回例外集的测度和维数北大核心CSCD

设M=(m_(ij))是一个b×b阶矩阵且m_(ij)∈{0,1},∑_(M)是矩阵M=(m_(ij))诱导产生的有限型,σ是其上左推移算子.本文主要研究的是有限型动力系统(∑_(M),σ)上的首次返回速度问题.令τ_(k)(x)是点x∈∑_(M)首次返回到包含x的k阶柱集时间,且E_(α,β)={x∈∑_(M):lim inf_(k→∞)(logτ_(k)(x))/k=α,lim sup_(k→∞)(logτ_(k)(x))/k=β}.我们证明了:当M是不可约矩阵时,对任意0≤α≤β≤+∞,集合E_(α,β)的Markov测度要么等于0要么等于1并且具有满的Hausdorff维数.     

掌握“通技通法”,开拓数学思维——以一道高考真题为例

年年岁岁花相似,岁岁年年人不同.对于空间角的考查,不同空间几何体的载体,不同形式的设问方式,千变万化,视角多样,倍受各方关注.结合一道高考真题,通过分析与解析,对该题进行多视角、多方法、多途径的分析与研究,提升备考层次、深度与广度,引领与指导数学教学与学习.     

CHAOS FOR MIXING TRANSFORMATIONS

ＣＨＡＯＳＦＯＲＭＩＸＩＮＧＴＲＡＮＳＦＯＲＭＡＴＩＯＮＳ￥ＬＩＡＯＧＯＮＧＦＵ（ＤｅｐａｒｔｍｅｎｔｏｆＭａｔｈｅｍａｔｉｃｓ,ＪｉｌｉｎＵｎｉｖｅｒｓｉｔｙ,Ｃｈａｎｇｃｈｕｎ１３００２３,Ｃｈｉｎａ．）Ａｂｓｔｒａｃｔ：Ｆｏｒａｃｌａｓｓｏｆｍ...     

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.     

Z~d-作用下的Bowen拓扑熵理论

在Z~d-作用下定义了Bowen维数熵,研究了Z~d-作用下Bowen维数熵的一些性质,证明了X中的任意子集的Bowen维数熵可以通过该子集中的点的测度下局部熵估计.     

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.