数学计算模型在生态工业中的应用研究展望

对目前国内应用于生态工业系统中的主要数学计算模型进行了综述及分析,提出了应用贝叶斯网和Agent技术对生态工业系统进行建模的可能性和优越性,为生态工业系统的模拟研究开辟了新途径。     

正离子型疏水改性聚氧乙烯单成相组分双水相系统的相行为

对正离子型疏水改性聚氧乙烯(HM-EO)单成相组分双水相系统的相行为进行了考察,并分析其电荷特性.HM-EO在水溶液中呈现两亲性,可以形成胶束,进而形成带电的胶束簇集体.通过改变溶液的pH值、盐浓度及添加带相反电荷的表面活性剂SDS,可改变胶束簇集体的带电状态,从而影响系统的相行为.增大pH值,有利于系统的分相.盐的添加也可以增大双水相两相区域,正离子影响次序为K+>Na+,负离子次序为SO42->F->Cl->Br->I-.进一步考察了HM-EO和SDS之间的相互作用,结果表明SDS能与HM-EO形成混合胶束簇集体,改变HM-EO双水相系统的带电特性.     

基于质子交换膜燃料电池的热电联产系统的研究进展

基于质子交换膜燃料电池的热电联产系统利用电池发电时产生的余热供热,提高了能源利用率,实现了热电供能的可持续发展。本文介绍了基于质子交换膜燃料电池的热电联产系统工作原理,概述了各子系统的组成及功能,重点围绕建模方法、操作模式、运行策略、评价方法及系统优化等方向综述了当前研究的进展情况,指明了后续研究可从多尺度综合性建模、完善配置细节及增加集成选项、预测能源需求及运行智能化、多维度系统评价以及节能降耗等方面进行。     

初中化学青年教师常态课教学课例研究* ——基于弗兰德斯互动分析系统

弗兰德斯互动分析系统可以量化课堂教学中的语言行为。以初中化学一节常态课为研究课例,基于弗兰德斯互动分析系统,结合教师他评和自评,从教学目标、教学内容、教学过程和教学效果等4方面进行了全面的分析与评价,并根据评价结果,针对教学目标制订、有效提问、科学的课堂语言结构的营造以及实验探究的实施等提出了可行性的有效策略,从而为青年教师通过教学实践来促进个人专业发展提供依据。     

建模在化学解题中的应用举例

建模就是把实际问题数学化,是一种数学思维方法。运用建模解化学题,其基本的思路是：①认真分析化学问题中各知识点之间的关系;②寻找挖掘各化学知识点之间的量变规律,应用化学原理建立化学模型;③运用数学方法对化学模型进行处理,建立适当的数学模型;④应用数学模型和化学规律解答题设中化学问题。现举例说明。     

生态工业系统分析

利用热力学分析方法研究了生态工业系统内物质、能量流动和利用的复杂模式,反映了其资源利用的热力学本质;在分析的基础上,建立了系统消耗指数、物质循环利用效率等一系列评价指标,反映了系统资源利用的效果和对环境的潜在影响.在案例分析的基础上,进一步分析了指标的工业生态学内涵以及指标之间的关系,研究结果表明了分析方法的有效性和评价指标的实用性.     

视觉相对运动的神经计算原理

本文将定量行为实验与计算机仿真相结合,研究了蝇视觉系统的图形与背景相对运动信息的神经计算原理。在定量行为实验中仅检测了作定点飞行的蝇绕其垂直轴的扭矩信号。行为实验的主要结果是:(1)扭矩反应的动态特性不仅与图形和背景运动之间的相位有关,也与振动频率有关;(2)在全部检测的相对相位中,反应时程是给定的相位关系的“指纹”特征;(3)主尖峰反应幅度的变化是图形-背景分辨行为的多样性的灵敏的指标。计算机仿真的主要结果为:(1)“计算机蝇”,可描述至今为止在不同的相对运动条件下的扭矩反应的主要特征;(2)在不同刺激条件下的计算机仿真与相应的行为实验在其“指纹”特征方面完全符合;(3)计算机仿真中的反应时程与参数n,q,T和k密切相关。 本文的行为实验与计算机仿真在神经网络层次上加深了对视觉相对运动信息加工策略的理解。     

基于4MAT系统开发促进知识深层理解的学习策略

基于4MAT系统开发了组织策略、模式再认策略和系列动作学习策略,为教师帮助不同学习风格的学生提供参考,当把这些学习策略应用于课堂时,可以促进学生对知识的深层理解。     

一种面向多组分定量的通用谱图解析方法

在一个多组分系统中各组分的定量分析是非常重要的。现代光谱如拉曼光谱(RS)、傅里叶变换红外(FT-IR)光谱、紫外-可见(UV-Vis)光谱、核磁共振(NMR)、质谱(MS)等,可通过获取丰富峰信号的谱图对样品进行各角度的详尽描述。然而,由于谱图的复杂性及其解析工作的繁重,使得仅通过样品谱图来同时量化混合物中的每个组分成为很具挑战性的工作。在这项研究中,我们首次介绍了一个名为定量主成分分析(q PCA)的可靠策略,快速计算混合物中每个成分的比例,而不需要任何手动解谱。通过使用纯组分的谱图作为参考,多组分系统的谱图可以通过PCA自动分辨并解析,然后就可以使用我们的计算方法来计算每个组分的比例。计算机建模实验和RS、FT-IR、UV-Vis、NMR、MS实验都证明了这一策略胜任多组分系统的快速定量工作。     

基于分离度图的HPLC线性多阶梯优化策略

基于色谱保留机理(保留与流动相条件之间的关系)和分离度图方法, 根据对于样品分离要求的不同, 提出了对多阶梯线性梯度液相色谱洗脱条件进行优化的三种策略, 也通过文献数据进行模拟分离和方法验证, 比较了不同方法的优缺点. 证明第三种策略是一种较为快速, 并且可以使各阶梯上组分都能得到较好分离的优化方法.     

Pesticides in the atmosphere

Summary A method is described for the determination of pesticides — i.e. insecticides, herbicides and fungicides — in rain. Samples were taken periodically since May, 1990. The results of these measurements allow to extend the knowledge on the distribution of pesticides in the atmosphere after application. Agents from 100 ml–1 l rain samples are enriched by solid-phase extraction and then detected by gas chromatography or RP-liquid chromatography. Results received by gas chromatography are confirmed by GC-MS or RP-liquid chromatography, respectively.     

The Role of Small Molecule–small Molecule Interactions in Overcoming Biological Barriers for Antibacterial Drug Action

The ineffectiveness of antibiotics against bacteria can be caused by multidrug resistance (MDR) or by an outer membrane, which restricts the penetration of amphipathic compounds into Gram-negative bacteria. Remarkable activities of plant antimicrobials in the presence of MDR modulators have been observed against a series of MDR and Gram-negative bacteria (Tegos et al., Antimicrob Agents Chemother 46:3133, 2002). Assuming that modulators of MDR might form complexes with substrates of efflux pumps Zloh et al., Biogr Med Chem Lett 14:881, 2004), we have evaluated interaction energies between antimicrobials and MDR modulators reported in Tegos et al. (Antimicrob Agents Chemother 46:3133, 2002). In this paper, we can confirm that modulation activity against the efflux pump NorA in Staphylococcus aureus correlates with the interaction energies between MDR modulator INF271 and antibacterials. Additionally, the change of log P of complexes might be responsible for overcoming the membrane impermeability in Gram-negative bacteria and increasing the antibacterial activity in the presence of the modulator MC207110. This suggests that interactions between small molecules may play an important role in overcoming biological barriers in bacteria.     

Synthesis of (±)-cis-tetradec-5-en-4-olide — The racemate of the sex pheromone of the Japanese beetle

A three-stage method has been developed for the stereoselective synthesis of (±)-cis-tetradec-5-en-4-olide — the racemate of the sex pheromone of the Japanese beetlePopillia japonica C. The key reactions used were the stereoselective cis reduction of a triple bond with the aid of heterogeneous hydrogenation catalysts (zinc-copper couple, nickel boride, Lindlar catalyst) and the radical lactonization of conjugated systems by the action of acetic acid in the presence of manganese acetate.Institute of Organic Chemistry, Academy of Sciences of the Armenian SSR, Erevan. All-Union Scientific-Research Institute of Chemical Agents for Plant Protection. Tartu State University. Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 98–102, January–February, 1984.     

Environmental performance assessment for pulp and paper enterprises: promising waste utilization options

A comprehensive characterization study was carried out for liquid, gaseous, and solid wastes generated by two pulp and paper mills in Northwest Russia. An environmental impact assessment method based on the technical standards set for discharges (emissions) of priority pollutants was tested for individual process units and the entire enterprise.     

Activation of reducing agents. Sodium hydride containing complex reducing agents 28. Stereochemistry of reduction of ketones by complex reducing agents

The stereochemistry of reduction of selected ketones by a variety of Complex Reducing Agents (MCRA) has been investigated. The selectivity depends on the nature of the CRA constituents and principally on that of the metal salt.     

Assay of Cysteine in Human Serum with Quinine-Ce~(4+) Chemiluminescence System

Cysteine is one of amino acids containing thiol groups. It not only constitutes protein but also plays an important role in several biological processes, such as redox, methyl transfer and carbon fixation reactions in which CoA participates. Therefore, the detection of cysteine and its derivatives has attracted much attention1-3. In this work, a CL method was developed for the determination of cysteine, which was based on oxidation of the thiol group of cysteine by cerium sulfate. This r…     

金属络合物的相转移催化分析与分离

以可简单分离回收、可反复使用为目标，详细介绍了相转移催化的变化发展过 程．通过对溶剂的选择，使得催化剂选择性地溶解在某一液相中，而使产物溶解在 另一液相中，如水-有机两相催化体系；通过温度的变化，简单地实现了在较高温 度下反应为均相体系以提高催化剂的活性，而在较低温度下实现了催化剂与产物不 相溶使得催化剂得以简单分离，如温控型水-有机两相催化体系、氟-有机两相催化 体系、温控型含氟催化剂、温控型有机金属催化剂等．     

Effects of depolarizing agents and Na+-channel inhibitors on ligand binding to muscarinic receptors from rat cerebral cortex

In a vesicle preparation from rat cerebral cortex, carbachol recognizes a high-affinity and a low-affinity muscarinic agonist binding site. A number of agents, including veratridine (10 microM), gramicidin (10 microM) and valinomycin (10 microM), which depolarize the vesicles also appear to block the high-affinity muscarinic agonist binding site. Lowering [Na+] (from 137 to 80 mM) or raising [K+] (from 5 to 50 mM) produced effects similar to those of the depolarizing agents. Agents such as tetrodotoxin (1 microM), which block the Na+-channel, also appear to block the high-affinity agonist binding site or to convert it into a low-affinity agonist binding form.     

Investigations in the imidazole series 97. Synthesis and some transformations of 5-nitro-5-hydroxyalkylamino- and 4-hydroxy-alkylamino-5-nitroimidazoles

A series of 1-alkyl(1,2-dialkyl)-substituted 4-nitro-5-hydroxyalkylamino- and 4-hydroxyalkylamino-5-nitro-imidazoles were obtained by the reaction of 1-alkyl(1,2-dialkyl)-substituted 4-nitro-5-chloro(bromo)imidazoles with amino alcohols. Their reactions with thionyl chloride and carboxylic acid halides and their catalytic hydrogenation were studied. For Communication 96, see [1]. Center of the Chemistry of Medicinal Agents, All-Russia Scientific-Research Chemical-Pharmaceutical Institute, Moscow 119815. Novokuznetsk Scientific-Research Chemical-Pharmaceutical Institute, Novokuznets 654034, Russia. Zaporozh'e State Medical University, Zaporozh'e 33074. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10. pp. 1346–1351, October, 1998.