卤代苯和苯酚衍生物的位电荷密度能和log K_(ow)与-lg LC_(50)的QSAR研究

以简易的量子化学方法计算了二十多种卤代苯和苯酚衍生物的FMO位电荷密度能 ,并进行定量结构—活性相关 (quantitativestructurebiodegradability)研究 ,获得满意的结果 .最后从生物酶促反应本质、污染物 -生物酶的轨道控制反应角度对QSAR提出新的解释     

Characterization of lead and lead leaching properties of lead glazed ceramics from the Solis Valley, Mexico, using inductively coupled plasma-mass spectrometry (ICP-MS) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFT)

Ingestion of relatively small amounts of lead is now recognized to cause significant neurological and cognitive effects in humans. Large quantities may be fatal, yet lead poisoning, especially of children, is still a major public health concern in many parts of the world. In rural Mexican communities lead oxide (PbO) is added to ceramic glaze as a fluxing agent, lowering starting firing temperatures to 500 °C. The purpose of this study is to characterize the lead chemical forms in ceramic glazes from the Solis Valley, Mexico, to investigate lead leaching properties of these ceramics, and to demonstrate the applicability of lead isotope signatures as a means of tracing lead source origins. Ceramics were collected from the rural village of Santa Maria de Canchesda, State of Mexico, Mexico. Dried liquid glazes, post-fired glaze material, and pure PbO were analyzed by diffuse reflectance infrared Fourier transform spectroscopy (DRIFT). Results from DRIFT analysis indicate that PbO (1429 cm⁻¹ band) is the active form of lead found in liquid glazes and ceramics. Some shifting of 1429 cm⁻¹ PbO peak to lower wavenumbers occurs in post-fired ceramics, and this may be due to the formation of lead bisilicate during firing. Ceramics samples were leached in 0.02 M citric acid solution for 1 min, and leached lead concentrations were measured using inductively coupled plasma-mass spectrometry (ICP-MS). Lead concentrations in these leachates varied from 0.4-80.4 μg ml⁻¹, while the control pottery from the US leached only 0.1 μg ml⁻¹ lead. Elemental distributions on glaze surfaces were identified by laser ablation (LA)-ICP-MS. Nitric acid extracts of soils, teeth, and ceramic glazes were analyzed for lead isotope ratios (²⁰⁷Pb/²⁰⁶Pb vs. ²⁰⁸Pb/²⁰⁶Pb) using ICP-MS. Similarities of tooth and ceramic lead isotope ratios indicate that ceramics may be a substantial source of body lead burden in the Solis Valley. This study demonstrates the applicability of lead isotope ratios for lead source identification, and it identifies potential health risks from ceramic use induced lead toxicity within the Solis Valley.     

The joint value-distribution of the Riemann zeta function and Hurwitz zeta functions

In this paper, we investigate the joint value-distribution for the Riemann zeta function and Hurwitz zeta function attached with a transcendental real parameter. Especially, we establish the joint universality theorem for these two zeta functions. Published in Lietuvos Matematikos Rinkinys, Vol. 47, No. 1, pp. 39–57, January–March, 2007.     

σ-多项式的根

§ 1　IntroductionAll graphs considered are finite and simple.Undefined notation and terminology willconform to those in[1 ] .Let V(G) ,E(G) and Gdenote the vertex set,edge set and complement of a graph G,respectively. Let P(G,x) andσ(G,x) denote the chromatic polynomial andσ-polynomialof G,respectively.The log-concavity property of the chromatic polynomial andσ-polyno-mial of G has a close relation to their roots,which were well studied in[2 ,3] .Results onthe study of the roots of…     

芯片封装焊球连接疲劳寿命预测分析--能量法和有效应变法之比较

研究了目前常用的两种芯片封装焊球连接的寿命预测方法一能量法和有效应变法。对焊球连接的材料本构关系进行了对比分析，并利用FORTRAN语言编制了相应的材料本构模型子程序，将其与有限元仿真工具ANSYS耦合，实现了将焊球连接的材料本构模型用户子程序导入到ANSYS的材料库。在此基础上模拟了三维芯片叠层球栅阵列尺寸封装的焊球结构，在热循环条件下(-40～ 125℃的工作状态，并分别利用能量法和有效应变法对焊球连接的寿命预测进行了比较分析，最后对两种方法作出了评价。     

与两个更新过程有关的某些联合分布

本文讨论的两个时偶问题涉及来一个泊松过程与一个更新过程穿越时间和更新数的联合分布．利用向量马氏过程方法得到了这些联合分布的变换，给出了一个与分布均值有关量的数值结果．     

Value distribution of the Lerch zeta-function with algebraic irrational parameter. IV

We obtain a joint limit theorem in the space of analytic functions for Lerch zeta-functions with algebraic irrational parameter. The research was partially supported by the Lithuanian State Science and Studies Foundation, grant No. T-81/09.     

含界面裂纹的不可压缩双金属胶接件的解析变分－守恒积分解法

本文根据平面问题的复变函数理论推导了含界面裂纹双金属胶接件满足微分方程、开裂界面边界条件与未开裂界面连续条件的应力与位移本征函数展开式，并建立了不可压缩双金属界面裂纹的复合型守恒积分及其与应力强度因子之关系，进而利用分区广义变分原理满足其余边界条件确定包含应力强度因子在内的展开式系数，得到守恒积分并求出应力强度因子．数值计算表明，沿不同回路的在恒积分具有很好的守恒性而且由这两种方法所得应力强度因子具有很好的一致性．     

DDA与FEM耦合法在分缝重力坝非线性分析中的应用

混凝土重力坝一般设有数条纵缝。纵缝使坝体的连续性遭到破坏，一般的有限单元法很难处理这样的不连续变形问题。本文首先阐述了DDA(Discontinuous Deformation Analysis)与FEM(Finite Element Method)耦合算法的原理，然后采用作者自行研制的DDA与FEM耦合法程序对一实际重力坝进行了详细的计算分析。重点讨论了纵缝的不同设置形式和缝宽大小对坝体变形和应力分布、坝底面接触应力分布以及坝基面应力分布的影响，为工程设计提供依据。     

含材料非线性的复合材料单钉接头累积损伤分析

发展了静拉伸复合材料接头层合板三维逐渐损伤模型,考虑了单层复合材料在材料1-2面及3-1面上具有明显非线性剪切应力-应变关系的叠层非线性效应,结合有限元技术即应力分析、失效判定准则及损伤过程中材料性能退化等,对接头层合板损伤扩展进行了模拟,结果表明考虑材料非线性的影响与实验结果吻合更好.