用Delphi套接字实现连锁企业数据传输的方法

连锁经营企业的总部数据库与连锁店数据库经常要相互通讯，传统使用FTP方法，一需要配置服务器，二需要使用命令，很不方便。文章从实用出发，具体介绍了使用套接字传输数据的关键技术和方法：通过实用程序提取数据库所需数据，采用数据文件分包传送，接收方将分包还原成数据库表记录数据文件，实现数据通信。     

在数据库应用程序中轻松实现信息的智能化处理

数据的采集、录入和修改是数据应用的前提。数据库应用程序不仅要界面美观,而且数据的处理应具有快速、方便和系统的易用性。简化数据处理过程．是提高工作效率的最好途径。信息的智能化处理为简化数据量,提高系统的数据处理速度提供了保障。     

Delphi4与数据库的连接及配置

本文讨论Ｄｅｌｐｈｉ４在数据库应用开发中与各类数据源（Ｂｏｒｌａｎｄ 系列、ＯＤＢＣ系统以及Ｏｒａｃｌｅ８、ＭＳ ＳＱＬＳｅｒｖｅｒ７等大型数据库）的连接机制与配置问题     

A DFT study on the radical scavenging potential of selected natural 3′,4′-dihydroxy aurones

A series of 3′,4′-dihydroxy natural aurones differing in ring A substitution pattern have been studied with regards to their radical scavenging potential in the gas and in the liquid phase (benzene, water) using density functional theory (DFT) and the Becke's 3 Lee Yang Parr functional (B3LYP). Based on O-H bond dissociation enthalpy (BDE) and adiabatic ionization potential (IP) values, all tested aurones are expected to be more efficient hydrogen atom and electron donors than luteolin. The substitution pattern in ring A may have an impact on hydrogen atom donating activity of the compounds as phenolic and non-phenolic hydrogen atoms may be donated. Substitution affected polarity and in certain cases planarity of compounds, which may influence efficiency in real systems. Hydration at C-2 (auronols) affected polarity, electron donation and stability of the derived phenoxy radical at C-4′ and loss of planarity, rendering membrane penetration difficult. Change in C ring configuration (isoaurones) resulted in lower IP and O-H BDE value at C-6. The current findings suggest that aurones deserve more attention for food or pharmaceutical applications as antioxidants.     

Bond dissociation free energy as a general parameter for flavonoid radical scavenging activity

Notwithstanding multiple mechanisms of radical scavenging (RS), measured RS activities (RSA) of flavonoids are usually related to O–H bond dissociation enthalpy (BDE) for hydrogen atom transfer (HAT). For 12 flavonoids the reaction free energies were calculated for: (1) HAT, (2) single electron transfer–proton transfer (SET-PT) and (3) sequential proton loss electron transfer (SPLET) in gas and aqueous phases. Aqueous free energies, like bond dissociation (BDFE_aq), ionisation (IFE_aq) and deprotonation (ΔG_deprot,aq) free energies were estimated using thermochemical cycles. While in gas HAT is a RS mechanism (BDFE_g < IFE_g < ΔG_deprot,g), in water SPLET can be concurrent or dominant mechanism depending upon pH since ΔG_deprot,aq < BDFE_aq and ETFE_aq ? BDFE_aq. For 12 flavonoids, BDFE_aq has been correlated with ΔG_deprot,aq and ETFE_aq with r = 0.74 and 0.87 respectively. This reveals why BD(F)E parameter explains most of variance in variously measured RSA data even if the underlying mechanism is SPLET.     

Fe-C-H2O2降解十溴联苯醚的试验研究

研究了Fe-C-H2O2工艺对十溴联苯醚(BDE209)降解效果的影响,分别考察了pH、Fe与C质量比、Fe投加量、H2O2投加量及反应时间对去除率的影响,探讨了降解过程的动力学分析,并推断了可能的降解途径。结果表明,在pH为1、Fe与C质量比为1:1、Fe投加量为4.5 g、H2O2投加量为6 mL/L、反应时间为120 min的优化条件下时,BDE209的降解效果最好,降解率达80.9%;降解过程符合伪1级动力学规律,动力学方程为-ln(ρ/ρ0)=0.004 0 min-1t+1.033 7,相关系数0.947 1;BDE209脱溴过程是通过.OH攻击C-Br键逐步实现的。     

氮-氨基多硝基二唑的理论研究（英）

采用密度泛函理论 B3LYP方法,在aug-cc-pVDZ的水平上,对6种N-氨基多硝基二唑化合物的电子结构、能隙及感度进行了理论研究。运用Politzer的方法得到了6种化合物的固相生成热和密度;采用键离解能预估了化合物的热稳定性,其离解能为238.94~283.95 kJ·mol^-1; 运用Kamlet-Jacob方程对其爆轰性能进行了预测。结果表明: 1-氨基-3,4,5-三硝基吡唑(8.99 km·s^-1, 36.12 GPa)和1-氨基-2,4,5-三硝基咪唑(8.92 km·s^-1, 35.56 GPa)的爆轰性能与环三亚甲基三硝胺(RDX, 8.75 km·s^-1, 34.7 GPa)及环四亚甲基四硝胺(HMX, 9.1 km·s^-1, 39.00 GPa)相当。综合热稳定性和爆轰性能,认为1-氨基-3,4,5-三硝基吡唑和1-氨基-2,4,5-三硝基咪唑是潜在的高能量密度材料。     

Research on C—C Bond Length Distribution in Hydrocarbon Molecules

The C—C bond dissociation energy(BDE) is a very important data in research of hydrocarbon cracking reactions, because it reflects the difficulty level of chemical reactions.But it is very difficult to obtain the C—C bond dissociation energy(BDE) by experiments,so using quantum chemistry calculation such as density functional theory(DFT) to study the C—C bond dissociation energy is a very useful means.The impact of acceptor substituents and donor substituents on the C—C bond length distribution was studie...     

基于Inno Setup的Delphi应用程序的发布技巧

本文介绍安装制作工具Inno Setup为Delphi应用软件开发相应安装程序,特别对自动安装动态配置BDE数据库引擎、动态配置ODBC数据源、ActiveX控件注册等方面的问题进行了综合研究,并给出了一种解决方法,供软件开发者参考.