甲磺酸铜催化合成草酸二异戊酯

制备了甲磺酸铜催化剂,对其结构进行了IR和热重分析,并用于催化草酸和异戊醇的酯化反应。结果表明,甲磺酸铜具有催化活性高、稳定,易分离,重复使用性能优良,对环境友好的特点。最佳酯化工艺条件为:n(异戊醇):n(草酸)=2．8:1,w(甲磺酸铜)=0．3％,以过量的异戊醇为带水剂,回流反应2．0 h,酯化率可达到96．8％。     

机械-射流破岩耦合特性研究

在现代旋转钻井破碎井底岩石中仍是以机械破岩为主，理论与实践证明，射流辅助破岩是提高钻井破岩效率的重要途径，但它们的耦合特性研究极少。文章基于渗流场与应力场的耦合理论分析，进行了机械与射流破岩耦合特性的实验研究。结果表明：射流压力和水楔作用对岩石渗流场、应力场具有重要作用，耦合作用比非耦合作用的破岩效率有较大幅度的提高。在实验条件下，砂岩的耦合作用提高破岩效率40％左右，灰岩的耦合作用提高破岩效率20％左右。     

灰色预测模型在油气操作成本预测中的应用

油气操作成本是油气田生产消耗的主要项目，为了有效地控制油气操作成本，必须制定准确的油气操作成本计划。而油气操作成本在我国是最近几年才提出来的，数据项比较少，给油气操作成本预测带来一定的难度。为此，文章根据灰色预测的基本原理，采用灰色系统理论进行油气操作成本预测，就可以弥补对预测所需的数据少，而且也无须剔除不可比因素，只要所建模型能满足精度要求，预测结果就可以信赖。     

油气操作成本预测方法研究

油气操作成本在油气生产中占有较大的比重，油气操作成本的高低直接影响油田开发的经济效益。为了有效地控制油田油气操作成本，根据影响油气操作的因素，将油气操作成本按其影响因素进行分类，对基本运行费和油气处理费采用回归预测的方法，通过对相关数据的收集，建立对应的数学模型进行预测，对其他各项操作成本，采用单位费用和计划工作量进行预测，最后进行汇总，得到油气操作成本，其预测结果可作为油气操作成本计划制订的依据。该方法简单、操作性强，预测效果较好，在油田可以推广使用。     

基于改进模糊综合评价法的水利工程社会评价研究

通过对水利工程社会评价及模糊综合评价法的介绍,讨论了模糊层次分析法中的一致性检验问题,并采用改进的模糊综合评价法对江垭水利枢纽工程进行社会评价,得到综合评价结果。     

焊膏印刷工艺参数的选择与优化

表面贴装工艺流程的关键工序之一就是焊膏印刷,其工艺控制的好坏直接影响着装配的线路板的质量。通过对印刷工艺参数的分析,利用试验设计的方法来找出关键工艺参数,并加以优化设定,从而为控制工序参数奠定基础。     

结合RDF实现对XML文档的RBAC

文章提出了一种面向XML文档的基于XMLschema并结合RDF的访问控制模型,它实现了对XML文档的细粒度的安全访问控制,同时提供了对XML文档中associationsecurityobject的安全访问控制。     

添加剂对工业齿轮油性能影响的研究

研究了硫化烯烃、磷酸酯胺盐、硫磷酸酯极压抗磨剂,含氮杂环衍生物多功能添加剂和防锈剂等,对工业齿轮油抗乳化性能、极压抗磨性能、防锈性能的影响;以及硫化烯烃、磷酸酯盐极压抗磨剂与含氮杂环衍生物多功能添加剂之间的协和效应。试验结果表明:1.2%~1.6%复合添加剂调制的CKD220工业齿轮油中,磷酸脂盐的正确选用可以提高齿轮油的抗乳化性能、防锈性能和减少防锈剂用量。硫化烯烃与磷酸脂盐、含氮杂环衍生物多功能添加剂的合理组合,可以提高齿轮油的极压抗磨性能和防锈性能,减少添加剂总加剂量。     

Quantitative pharmacophore models with inductive logic programming

Three-dimensional models, or pharmacophores, describing Euclidean constraints on the location on small molecules of functional groups (like hydrophobic groups, hydrogen acceptors and donors, etc.), are often used in drug design to describe the medicinal activity of potential drugs (or ‘ligands’). This medicinal activity is produced by interaction of the functional groups on the ligand with a binding site on a target protein. In identifying structure-activity relations of this kind there are three principal issues: (1) It is often difficult to “align” the ligands in order to identify common structural properties that may be responsible for activity; (2) Ligands in solution can adopt different shapes (or `conformations’) arising from torsional rotations about bonds. The 3-D molecular substructure is typically sought on one or more low-energy conformers; and (3) Pharmacophore models must, ideally, predict medicinal activity on some quantitative scale. It has been shown that the logical representation adopted by Inductive Logic Programming (ILP) naturally resolves many of the difficulties associated with the alignment and multi-conformation issues. However, the predictions of models constructed by ILP have hitherto only been nominal, predicting medicinal activity to be present or absent. In this paper, we investigate the construction of two kinds of quantitative pharmacophoric models with ILP: (a) Models that predict the probability that a ligand is “active”; and (b) Models that predict the actual medicinal activity of a ligand. Quantitative predictions are obtained by the utilising the following statistical procedures as background knowledge: logistic regression and naive Bayes, for probability prediction; linear and kernel regression, for activity prediction. The multi-conformation issue and, more generally, the relational representation used by ILP results in some special difficulties in the use of any statistical procedure. We present the principal issues and some solutions. Specifically, using data on the inhibition of the protease Thermolysin, we demonstrate that it is possible for an ILP program to construct good quantitative structure-activity models. We also comment on the relationship of this work to other recent developments in statistical relational learning. Editors: Tamás Horváth and Akihiro Yamamoto     

凉水河污染对土壤和地下水的影响

在凉水河下游取河床底泥及河床下部土样,分析其NH3-N、磷和有机物的变化,发现底泥对NH3-N和磷的去除发挥了很大作用,分别是下部土壤吸附量的10倍和1倍多;土中5种氯代烃均有检出,是河水长期渗漏积累的结果。凉水河流域内的野外试验结果表明,凉水河对地下水存在污染,污染组分主要是CODCr,NH3-N也有一定污染,其他无机污染组分如NO3-N,Cr6+,TP和Pb2+对地下水的影响较小,氯代烃对地下水也有一定影响。据推测,凉水河污染对地下水的影响范围大概在河两侧80 m范围内。