Computational Study for Protein-Protein Docking Using Global Optimization and Empirical Potentials

Protein-protein interactions are important for biochemical processes in biological systems. The 3D structure of the macromolecular complex resulting from the protein-protein association is a very useful source to understand its specific functions. This work focuses on computational study for protein-protein docking, where the individually crystallized structures of interacting proteins are treated as rigid, and the conformational space generated by the two interacting proteins is explored extensively. The energy function consists of intermolecular electrostatic potential, desolvation free energy represented by empirical contact potential, and simple repulsive energy terms. The conformational space is six dimensional, represented by translational vectors and rotational angles formed between two interacting proteins. The conformational sampling is carried out by the search algorithms such as simulated annealing (SA), conformational space annealing (CSA), and CSA combined with SA simulations (combined CSA/SA). Benchmark tests are performed on a set of 18 protein-protein complexes selected from various protein families to examine feasibility of these search methods coupled with the energy function above for protein docking study.     

变频器在卷扬提升机上的应用

本文介绍了普传科技公词专用变频器在卷扬提升机负载上的改造方案和应用效果，攻在实际改造中的注意事项。     

Essential oils,kava pyrones and phenolic compounds from leaves and rhizomes of Alpinia zerumbet (Pers.) B.L. Burtt. & R.M. Sm. and their antioxidant activity

During essential oil production from Alpinia zerumbet, large volumes of water and solid wastes are produced and subsequently discarded. An extraction protocol to obtain essential oil, dihydro-5,6-dehydrokawain (DDK) and enriched antioxidant phenolic extracts from fresh leaves or rhizomes of A. zerumbet and their wastes was developed. The main components determined in leaf oil were 1,8-cineol, camphor and methyl cinnamate, whereas rhizome oil mainly contained DDK and methyl cinnamate. The highest DDK content was found in the hexane extract of fresh rhizomes. Ethyl acetate extracts from leaves showed higher 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activities than those from rhizomes. Ethyl acetate extract from wastewater of leaves possessed the strongest inhibition to β-carotene oxidation. Ferulic and p-hydroxybenzoic acids were the major phenolics present in these extracts. The results indicate that disposed wastes produced during essential oil production from A. zerumbet leaves or rhizomes may be utilized in foodstuffs as a cheap source of natural antioxidants.     

S8000状态监测系统在空压机组上的应用

介绍了大型旋转机械在线状态监测系统S8000的特点、体系结构和软硬件环境,以及该系统在空压机组上的应用.     

基于SPWM的高频开关型动力制动电源的研制

矿井提升机制动过程中的性能优劣,对提升机的安全可靠运行具有极其重要的影响。文章介绍了一种基于SPWM原理和智能功率模块(IPM)的新型高频开关型动力制动电源的组成、控制原理,给出了实验结果。实验结果表明,该电源具有体积小、效率高、保护可靠的特点。     

镉与新试剂8Q5SA8Q显色反应的研究与应用

研究了新试剂７－（８＇－羟基喹啉－５＇－碘酸偶氮）－８－羟基喹啉（简称８Ｑ５ＳＡ８Ｑ）和镉的显色反应。结果表明：在ｐＨ为１０．７６时，镉与试剂形成１∶２的稳定的紫色络合物。利用此方法测定镉，其摩尔吸光系数ε＝１．６４×１０４　Ｌ·ｍｏｌ－１·ｃｍ－１，具有选择性较好的特点。镉的浓度在０～１．５μｇ／ｍＬ的范围内遵守比耳定律。试用于化学纯试剂（ＮＨ４）２ＳＯ４、ＮａＨ２ＰＯ４等样品中，镉的测定结果较为满意，回收率在９０　％～１０５　％之间。     

Effect of pre- and postharvest salicylic acid treatment on ethylene production,fungal decay and overall quality of Selva strawberry fruit

The effect of salicylic acid (SA) treatment at different concentrations and growth stages of strawberry (Fragaria ananassa cv. Selva) fruit on postharvest ethylene production, fungal decay and overall quality index was studied. SA at all concentrations effectively reduced fruit ethylene production and fungal decay and retained overall quality. Treatment of plants at vegetative stage and fruit development stage followed by postharvest treatment of fruits with 1 and 2 mmol L⁻¹ was the most effective strategy, whilst with decrease in treatment time the effects of treatment decreased. Single stage treatment strategy of fruits with 2 mmol L⁻¹ SA at postharvest stage was most effective. Postharvest treatment with 4 mmol L⁻¹ SA slightly damaged the fruits and was less effective than 2 mmol L⁻¹ in retaining fruit quality.     

FMS控制系统的软件设计与开发

本文将软件工程中软件设计和开发的方法与ＦＭＳ控制系统的研制相结合，用数据流分析（ＤＦＡ）方法给出了ＦＭＳ控制系统的数据流图（ＤＦＤ）；用结构化设计（ＳＡ）方法给出了该控制系统的软件模块结构图，并由ＦＭＳ实例提出该的开发方法。这些方法对于其它计算机控制的开发具有普遍意义。     

热处理工艺对SA213-T23焊接接头性能的影响

T23是我国火力发电厂引进的新型钢种，现已逐步应用于锅炉过热器、再热器管道，其焊接工艺仍在探索阶段。为制定较为合理的焊接工艺方案，适应电站焊接施工要求和保证焊接质量，针对T23小管焊接在母材、焊材、坡口形式、焊接位置、焊接方法、工艺参数等基本参数一致的务件下进行对比试验，分析了不同热处理工艺对SA213-T23焊接接头性能的影响。     

SA213-Super304H、HR3C钢焊接工艺评定试验

SA213-Super304H、HR3C钢作为新型奥氏体耐热钢已应用于国内超超临界机组中。文章介绍了此种钢的焊接性能,结合青海省火电工程公司承建项目,对此种钢的焊接工艺评定进行了试验研究,讨论了焊接方法和焊接工艺特点。