Computer simulation of the steady state currents at enzyme doped carbon paste electrodes

The plate-gap model of porous enzyme doped electrode has been proposed and analyzed. It was suggested that reaction diffusion conditions in pores of bulk electrode resemble particular conditions in thin gap between parallel conducting plates. The model is based on the diffusion equations containing a nonlinear term related to the Michaelis–Menten kinetic of the enzymatic reaction inside gap. Steady state current was calculated for the wide range of given parameters and substrate concentrations. All dependences of current on substrate concentration were approximated by hyperbolas in order to obtain “apparent” parameters (maximal currents and apparent Michaelis constants) of modelled biosensors. Simple approximate relationships between given and apparent parameters were derived. The applicability of theoretical plate-gap model was tested for the case of carbon paste electrodes which were doped with PQQ – dependent glucose dehydrogenase. It was found, that soluble glucose dehydrogenase based biosensors exhibit characteristic features of the theoretical plate-gap biosensors.     

Functionality map analysis of the active site cleft of human thrombin

Summary The Multiple Copy Simultaneous Search methodology has been used to construct functionality maps for an extended region of human thrombin, including the active site. This method allows the determination of energetically favorable positions and orientations for functional groups defined by the user on the three-dimensional surface of a protein. The positions of 10 functional group sites are compared with those of corresponding groups of four thrombin-inhibitor complexes. Many, but not all features, of known thrombin inhibitors are reproduced by the method. The results indicate that certain aspects of the binding modes of these inhibitors are not optimal. In addition, suggestions are made for improving binding by interaction with functional group sites on the thrombin surface that are not used by the thrombin inhibitors. Abbreviations: MCSS, multiple copy simultaneous search; PPACK, d-phenylalanyl-l-propyl-l-arginine chloromethane; NAPAP, N -(2-naphthylsulfonylglycyl)-d-para-amidinophenylalanylpiperidine; argatroban, (2R,4R)-4-methyl-1-[N -(3-methyl-1,2,3,4-tetrahydro-8-quinolinylsulfonyl)-l-arginyl]-2-piperidine carboxylic acid; rms, root mean square. The thrombin residues are numbered according to the chymotrypsin-based numbering by Bode et al. [8]. P1, P2, P3, etc., denote the peptide inhibitor residues on the amino-terminal side of the scissile peptide bond, and S1, S2, S3, etc., the corresponding subsites of thrombin     

Alkylidinphosphane und -arsane. I [P ≡ C?S]−[Li(dme)3]+ – Synthese und Struktur

Alkylidynephosphanes and -arsanes. I [P ≡ C? S]^?[Li(dme)₃]⁺ – Synthesis and Structure O,O′-Diethyl thiocarbonate and bis(tetrahydrofuran)-lithium bis(trimethylsilyl)phosphanide dissolved in 1,2-dimethoxyethane, react below 0°C to give ethoxy trimethylsilane and tris(1,2-dimethoxyethane-O,O′)lithium 2λ³-phosphaethynylsulfanide – [P≡C? S]^? [Li(dme)₃]⁺ – ( 1a ). Apart from bis(trimethylsilyl)sulfane or carbon oxide sulfide, dark red concentrated solutions of λ³-phosphaalkyne 1 are also obtained from reactions of carbon disulfide with bis(tetrahydrofuran)-lithium bis(trimethylsilyl)phosphanide or with the homologous lithoxy-methylidynephosphane ( 2 ) [1]. The ir spectrum shows two absorptions at 1762 and 747 cm^?1 characteristic for the P≡C and C? S stretching vibrations. The nmr parameters {δ(³¹P) ? 121.3; δ(¹³C) 190.8 ppm; ¹J_CP 18.2 Hz} resemble much more values of diorganylamino-2λ³-phosphaalkynes than those of bis(1,2-dimethoxyethane-O,O′)lithoxy-methylidyne-phosphane ( 2a ). As found by an X-ray structure analysis (P2₁/c; a = 1192.6(16); b = 1239.1(19); c = 1414.8(26) pm; β = 105.91(13)° at ?100 ± 3°C; Z = 4 formula units; wR = 0.064) of pale yellow crystals (mp. + 16°C) isolated from the reaction with O,O′-diethyl thiocarbonate, the solid is built up of separate [P≡C? S]^? and [Li(dme)₃]⁺ ions. Typical bond lengths and angles are: P≡C 155.5(11); C? S 162.0(11); Li? O 206.4(17) to 220.3(20) pm; P≡C? S 178.9(7)°.     

Ein Neues,tricyclisches schwefelreiches Phosphan

A New Tricyclic Sulfur-rich Phosphane From the products of the reaction of P₄S₃ with tert-Butyliodide the compound (t-Bu(S)P)₂P₄S₃ was isolated in low yield. The compound is stable and has a structure related to the hydrocarbon brexane. By reaction with triphenylphosphin the compounds (t-BuP)(t-Bu(S)P)P₄S₃ and (t-BuP)₂P₄S₃ were obtained. The ³¹P-nmr spectra of all compounds were solved and used to determine the structure of the molecules. A complete set of ³¹P-nmr data is given.     

粗糙集方法在基于属性分类中的应用

介绍粗糙集基础上的属性分类系统的构造,给出一种数据挖掘中新的分类方法:从初始的数据信息出发,依次构造约简属性集,并对其使用Bayes判别法进行基于属性的分类。最后给出了实例,验证算法的可行性。     

基于关联规则的数据挖掘在供水管网故障诊断中的运用

找出引起供水公司管网故障的原因是供水公司进行客户服务的关键。在介绍关联规则基本概念的基础上，进一步研究了关联规则在供水公司管网故障诊断中的运用情况，并得到一些有用的规则，为管理者和分析人员提供了决策支持。     

基于LabVIEW 7．0 Express的测定化学电池E—t关系的虚拟仪器

研制了基于LabVIEW 7．0 Express的实时测定电池电动势(E)与温度(t)关系的化学虚拟仪器系统．运用集成运放器设计制作了电池电动势和温度的调理电路，通过PCI2002卡双通道同时采集，实现了E随t变化关系的跟踪测定，计算机实时绘出E—t曲线．用LabVIEW Function模板中的相关函数编程，剔除野值，获得最佳拟合E—t函数表达式．应用结果表明：该系统操作简单、界面友好，实时数据显示和自动处理数据，避免了人工操作和数据处理的人为误差，结果令人满意．     

可靠性统计与数据挖掘

讨论了可靠性统计与数据挖掘之间的关系．指出了用统计的理论与方法去进行数据挖掘在目前情况下仍不失是一种重要的方法。     

基于粗糙集理论的复方拆方研究

粗糙集理论是一种新的处理模糊和不确定性知识的数学工具，其主要思想就是在保持分类能力不变的前提下，通过知识约简，导出问题的决策和分类规则．因此，将粗糙集理论引入复方拆方，将有助于从复方配伍的动态性和不确定性的本质上去深入而确切地开展方剂配伍规律的量化研究，从而改变药味与药效之间的分离状态．     

基于以太网的数据采集终端设计

具有以太网接口的数据采集终端是以太网数据采集系统的前端设备。采用嵌入式网络单片机来设计以太网接入的数据采集终端,具有结构简单、成本低、体积小、易于实现的特点。主要介绍了以8bit嵌入式网络单片机SF0020为核心,配置512KBytes程序和数据存储空间,通过与A/D转换芯片MAX1263和物理层收发器DM9161的连接,组成一款基于以太网的数据采集终端。它具有250Ksps的最高转换速度,12bit的分辨率和4个输入通道,可以在该数据采集终端基础上,方便地进行网络仪器仪表的开发。