A Strategy for Discovering Heterochiral Bioactive Peptides by Using the OB2nP Library and SPOTs Method

d -Amino acid containing peptides are promising as drug lead compounds because of their expected higher stability in vivo. A heterochiral random peptide library called the one-bead–2ⁿ-peptide (OB2ⁿP) library, which can display 2ⁿ peptide diastereomers per bead, has been developed. Through screening of the OB2ⁿP library and subsequent binding assay among the peptide diastereomers synthesized in parallel by means of the SPOTs method, new heterochiral mimotopes for the anti-β-endorphin monoclonal antibody have been obtained. One mimotope was a new ligand for the μ-opioid receptor. The screening strategy enabled d -amino acid containing drug leads to be obtained efficiently by expanding searchable chemical space without increasing the experimental scale.     

基于组合双向拍卖的云资源调度方法

针对跨数据中心的资源调度问题，提出了一种基于组合双向拍卖（PCDA）的资源调度方案。首先，将云资源拍卖分为三个部分：云用户代理报价、云资源提供商要价、拍卖代理组织拍卖；其次，在定义用户的优先级及任务紧迫度的基础上，在拍卖过程中估算每一个工作发生的服务等级协议（SLA）违规并以此计算云提供商的收益，同时每轮竞拍允许成交多项交易；最终达到根据用户等级合理分配云资源调度的效果。仿真实验结果表明该算法保证了竞拍成功率，与传统一次拍卖成交一项的组合双向拍卖方案相比，PCDA在竞拍时间段产生的能耗降低了35.00%，拍卖云提供商的利润提高了约38.84%。     

An optimization decision support approach for risk analysis of carbon emission trading in electric power systems

Concerns over dramatic increasing electricity demand, exacerbating power shortage and changing climatic condition are emerging associated with municipal electric power systems (EPS). In this study, a risk-explicit mixed-integer full-infinite programming (RMFP) approach is developed for planning carbon emission trading (CET) in EPS. RMFP-CET has advantages in risk reflection and policy analysis, particularly when the input parameters are provided as crisp and functional intervals as well as probabilistic distributions. The developed method is applied to a real case study of CET planning of EPS in Beijing. Various electricity policies are incorporated within the modeling formulation for enhancing the RMFP-CET's capability. The results indicate that reasonable solutions have been generated, which are useful for making decisions of electricity production and supply as well as gaining insight into the tradeoffs among electricity supply risk, system cost, and CO₂ mitigation strategy.     

A Dynamic Combinatorial Approach for Identifying Side Groups that Stabilize DNA-Templated Supramolecular Self-Assemblies

DNA-templated self-assembly is an emerging strategy for generating functional supramolecular systems, which requires the identification of potent multi-point binding ligands. In this line, we recently showed that bis-functionalized guanidinium compounds can interact with ssDNA and generate a supramolecular complex through the recognition of the phosphodiester backbone of DNA. In order to probe the importance of secondary interactions and to identify side groups that stabilize these DNA-templated self-assemblies, we report herein the implementation of a dynamic combinatorial approach. We used an in situ fragment assembly process based on reductive amination and tested various side groups, including amino acids. The results reveal that aromatic and cationic side groups participate in secondary supramolecular interactions that stabilize the complexes formed with ssDNA.     

Optimal sizing of wind-hydrogen system considering hydrogen demand and trading modes

In order to make full use of renewable energy and improve the utilization of wind power, a new joint optimization scheme of the wind-hydrogen system coupled with transmission project is proposed in this paper, in which wind power is reasonably allocated for grid integration and for hydrogen production. Aiming at maximize the annul wind-hydrogen system benefit, the optimal sizes of wind power transmission project and hydrogen system are obtained under different hydrogen production modes, hydrogen trading modes and hydrogen demand levels. In addition, the penalty cost of wind curtailment and hydrogen supply shortage and the system environmental benefits are taken into account. Results show: during the long-term of insufficient of wind power, it is better to produce hydrogen using wind power and grid-assisted power to avoid hydrogen supply shortage; considering the future increase of hydrogen demand, the optimal supply number of hydrogen refueling stations in the wind-hydrogen system is two. Also, the low utilization of fuel cells means that the benefit from regeneration cannot offset the high cost, which leads to the abnegation of fuel cells in the wind-hydrogen system.     

遗传算法和模矢法结合的概率积分法参数反演方法

遗传算法在反演概率积分法预计参数时从参数取值范围内的串集开始搜索,并使用弹性策略来维持群体的多样性,使得算法可以跨过局部收敛的障碍,向全局最优解方向进化;但这种概率化的寻优算法存在局部探索能力差、结果不稳定的缺陷,只能获得问题的近似最优解。模矢法是一种降梯度算法,算法局部探索能力强、收敛快;但这种算法对初值选取敏感,初值选择不当易陷入局部极值。本文提出并实现了一种模矢法与遗传算法结合的组合算法:先使用遗传算法求得参数的全局近似最优解,然后将近似最优解作为探索初值,使用模矢法获得参数的稳定、精确最优解。研究结果表明:组合算法反演概率积分法预计参数的精确度高、收敛快、稳定性好,综合性能较遗传算法和模矢法有明显优势。     

多种酶复合水解作用改善鹰嘴豆发酵乳的品质

本研究探讨了蛋白酶、α-淀粉酶和葡萄糖苷酶组合酶解作用对鹰嘴豆发酵乳品质改善的影响。结果表明：经过蛋白酶、α-淀粉酶与葡糖苷酶组合酶解处理的鹰嘴豆浆固形物含量和总糖含量均显著增加，分别增加了23.76%、8.22%；经过三酶组合处理后的样品pH降低、持水力显著提高，粘度增大，稳定性增强；随着发酵时间的延长，发酵乳在0~24 h，各组持水力均随发酵时间呈增加而增大，C4（三酶组合）组增大了17.25%；24 h后，除C0（空白）组下降，其余各组持水力增幅趋缓；各组还原糖含量均随发酵时间呈下降趋势，C4（三酶组合）组在12~48 h还原糖含量回升了3.22%；感官品评显示酶处理较显著地影响了鹰嘴豆发酵乳的气味、外观、滋味和质构。与C0组相比，经过C4（三酶组合）组处理后感官指标提高，总体可接受性评分从6.13提高到8.53，提高了39.15%，表明组合酶解作用有利于鹰嘴豆发酵乳品质的改善。     

Enumeration of stereo,position and chiral isomers of polysubstituted giant fullerenes: applications to C180 and C240

Abstract

We have developed combinatorial generation function methods that combine M?bius inversion and character cycle indices for the enumeration of stereo, position and chiral isomers of icosahedral giant fullerenes C₁₈₀ and C₂₄₀. Techniques are also developed for the machine perception of symmetries of especially giant fullerenes. The techniques yield, symmetries, position, stereo and chiral isomers of giant fullerenes which we illustrate with applications to icosahedral C₁₈₀(I_h), and C₂₄₀(I_h). We have obtained combinatorial tables for the isomers of C₁₈₀X_k and C₂₄₀X_k. Our results point to errors in previous computations on C₂₄₀ permutations. We have also outlined applications to NMR and ESR spectroscopy.     

A fast branch,bound and remember algorithm for disassembly line balancing problem

In recent years, the interests of disassembly line have increased owing to economic reasons and the increase of environmental awareness. Effective line can provide many advantages in terms of economic aspect and it facilitates competition the companies with others. This study contributes to the relevant literature by a branch, bound and remember algorithm for disassembly line balancing problem with AND/OR precedence. The proposed exact solution method employs the memory-based dominance rule to eliminate the reduplicated sub-problems by storing all the searched sub-problems and to utilise cyclic best-first search strategy to obtain high-quality complete solutions fast. In this paper, minimising the number of stations is taken as the performance measure. The proposed methodology is tested on a set of 260 instances and compared with the mathematical model using CPLEX solver and five well-known metaheuristics. Computational results show that the proposed method is capable of obtaining the optimal solutions for all the tested instances with less than 0.1?seconds on average. Additionally, comparative study demonstrates that the proposed method is the state-of-the-art algorithm and outperforms the CPLEX solver and metaheuristics in terms of both solution quality and search speed aspects.     

断裂带老顶的判别准则及在浅埋煤层中的应用

从20世纪50年代的铰接岩块假说到砌体梁理论的建立,都把断裂带老顶结构作为主要研究对象,在讨论有关断裂带老顶结构假说和理论的基础上,根据老顶初次断裂拱式平衡和周期断裂砌体梁平衡条件,考虑到岩块间铰点挤压接触面的实际高度,推导出了断裂带老顶判别的理论公式,即老顶分层厚度大于其下自由空间高度1．5倍时该分层进入断裂带,通过与实际观测值及所建立的经验公式比较,证明理论公式的计算值与实际一致,从而使长期悬而未解的断裂带老顶层位问题在理论上得以解决,同时也进一步说明了浅埋煤层组合关键层覆岩全厚切落的必然性。