A QM/MM study of the catalytic mechanism of aspartate ammonia lyase

Aspartate ammonia lyase (Asp) is one of three types of ammonia lyases specific for aspartate or its derivatives as substrates, which catalyzes the reversible reaction of l-aspartate to yield fumarate and ammonia. In this paper, the catalytic mechanism of Asp has been studied by using combined quantum-mechanical/molecular-mechanical (QM/MM) approach. The calculation results indicate that the overall reaction only contains two elementary steps. The first step is the abstraction of C_β proton of l-aspartate by Ser318, which is calculated to be rate limiting. The second step is the cleavage of C_αN bond of l-aspartate to form fumarate and ammonia. Ser318 functions as the catalytic base, whereas His188 is a dispensable residue, but its protonation state can influence the active site structure and the existing form of leaving amino group, thereby influences the activity of the enzyme, which can well explain the pH dependence of enzymatic activity. Mutation of His188 to Ala only changes the active site structure and slightly elongates the distance of C_β proton of substrate with Ser318, causing the enzyme to remain significant but reduced activity.     

技术创新战略联盟支撑战略性新兴产业发展的机制研究

发展战略性新兴产业已经成为了世界主要国家抢占新一轮经济和科技发展制高点的重大战略。构建和发展产业技术创新战略联盟,是实现技术创新、支撑战略性新兴产业发展的有效途径。阐述了产业技术创新战略联盟的内涵,探讨了其体制机制,分析了它在发展过程中存在的问题,并提出了相关的应对策略。这为构建新型产业技术创新战略联盟,促进战略性新兴产业发展提供了理论基础,进而为政府制订相关政策提供了决策参考。     

浅析电力用户终端的管理现状及对策

当前,电力用户终端管理中出现的问题越来越多,已经影响到供电企业的发展和社会的和谐。如何解决这些问题并建立有效的电力终端管理机制,是目前电力企业面临的首要问题。     

面向个性化云服务的动态信任模型

为更好地实践云计算为用户提供廉价按需服务的宗旨,满足服务请求者的个性化需求,提出一种面向个性化云服务的动态信任模型。基于细粒度服务思想定义个性化云服务,通过引入时间衰减因子和建立高效激励机制修正直接信任值,以灰色系统理论为基础计算实体间的评价相似度,并将评价相似度和推荐者的推荐可信度作为合成推荐信任值的重要因素,同时提出一种基于评价相似度的自信因子赋值方法,以提高合成综合信任值的准确性。实验结果表明,与GM-Trust模型及CCIDTM模型相比,该模型的交互成功率分别平均提高了4%和11%。     

Coordination between strategic forest management and tactical logistic and production planning in the forestry supply chain

In this paper, we study the coordination mechanism in the forestry supply chain between strategic forest management and tactical production planning. We first formulate an integrated model to establish a theoretical benchmark for performance of the entire supply chain. It is a mixed integer programming model that involves harvesting, bucking, transportation, production, and sales decisions for both tactical and strategic planning levels. We then present two sequential approaches S‐A and S‐B where the coordination is done through internal pricing. S‐A is the approach currently used in practice where harvesting in the forest is the main driver of the supply chain activities and internal pricing is introduced to control bucking decision in a separate stage. In contrast, S‐B takes downstream demand information into consideration and internal pricing directly influences harvesting decision in the first stage. In order to find the appropriate setting of internal pricing that leads to the system optimum, we suggest two heuristics H‐I and H‐II. The internal pricing in H‐I is based on dual values and in H‐II, it is derived from a Lagrangian decomposition. A real‐life case study in the Chilean forestry industry is used to compare the results of different approaches. It is shown that the new sequential approach S‐B generates as good feasible solution as that obtained from the integrated approach but in much less time. Both heuristics H‐I and H‐II bring about near‐optimal feasible solutions. H‐II also provides optimistic bound of the optimal objective function value, which can be used as a measure of the solution quality.     

基于奇偶树型交互学习机与遗传算法的密文优化系统

为使图像加密系统具备优化功能,并解决当前遗传算法无法实现全局最优、收敛速率慢等问题,提出奇偶树型交互学习机耦合全局离散遗传算法的密文优化系统。定义权值更新机制,耦合混沌映射,构造奇偶树型交互学习机及其互扰模型。将切断型轮盘赌择取机制引入均匀交叉算子中,以图像分块的相邻像素相关系数和密文信息熵为目标,根据权重理论设计加权适应度函数,提出一种全局离散遗传算法,最终形成"初始加密-密文优化"的加密结构。实验结果表明,与超混沌算法、离散遗传算法、元胞自动机相比,该系统的加密质量较好,并且具备全局优化功能,可优化所有迭代结果,使最终输出密文的信息熵最大,相关系数最小。     

802.11 DCF协议引入信道预约机制的必要性分析

论文对802.11 DCF协议引入信道预约机制的必要性问题进行了探讨.通过分析信道预约机制与隐藏/暴露终端问题之间的关系,提出一种比较隐藏终端和暴露终端出现概率大小的等效方法,并给出了相应的数值估算结果.理论分析结果验证了802.11 DCF协议引入信道预约机制的有效性.     

工作流系统性能分析与优化方案

随着企业业务流程信息化建设的推进,对核心业务领域的流程化管理已成为实现信息化水平进一步提升的重要基础,工作流系统作为基础设施,其性能在一定程度上决定了业务流程流转的效率.本文通过对工作流系统性能的量化分析,得出其性能指标与数据库规模的量化关系,从而为性能优化工作提出关键因素和技术切入点,在此基础上,本文结合数据库机制对工作流性能优化方案进行了研究和实现,提出了一种有效的算法,实现了归档机制,从而达到提升工作流系统性能优化的最终目的.     

网络在线文化信息监控平台建设与服务机制研究

针对高速网络环境下网络文化信息传输内容监控的需要,提出了实现拥有自主版权的能够在边界路由器上监测运行的网络文化信息监控系统的3种设计方法、3个层面的设计思想,以及数据采集结构、模块功能实现、服务机制创新的方法和理念,试图有效监测特征敏感性在线文化信息的来源与去向,创新监控应对策略,提高监控安全事件处理的效能。