摘要：The gramine molecule is optimized by using the density functional theory at the B3LYP/6-311+G( d, p) level. The geometric parameters such as molecular bond lengths, bond angles, and dihedral angles, are calcu-lated. The analysis of frontier molecular orbital ( FMO) and NBO charge is carried out. The effects of the FMO and charge populations on reactivity are revealed respectively.%用密度泛函理论,在B3LYP/6-311+G( d, p)水平上优化了芦竹碱分子的结构,给出了分子的键长、键角、二面角等参数,并对其进行了前线轨道分析和自然电荷分析,揭示了前线轨道、电荷分布与反应活性之间的关系。
摘要：研究工业酶非分类关系抽取问题。针对传统关联规则抽取非分类关系时存在效率低、收敛速度慢及漏报规则等问题，提出了一种基于小生境技术的萤火虫算法。该算法利用小生境技术的融合、演化算法丰富种群的多样性，结合萤火虫算法寻优速度快的优势抽取非分类关系，解决了局部最优、规则冗余问题。针对工业酶语料进行了验证性实验，实验结果表明，相对于传统的关联规则挖掘算法，该方法在个体多样性及提取有效规则的效率上都有较大的提高，挖掘结果对工业酶非分类关系抽取具有一定的参考价值。%This thesis focuses on the extraction of industrial enzyme non-taxonomical relations. Concerning the shortage of low efficiency, slow convergence and omission rules caused by traditional methods, the firefly algorithm which is based on niche technology is proposed. The method solves the problem of algorithm premature and redun-dancy rules, using the integration of niche technology, population diversity of the algorithm and the non-taxonomical relations of the firefly algorithm. The experiment is carried out based on the industrial enzyme corpus. Compared with traditional association rules mining method, the results show that the algorithm performs better in terms of pop-ulation diversity and efficiency of discovering more association rules. The mining result offers reference value in in-dustrial enzyme non-taxonomic relation extraction.
摘要：采用蔗糖密度梯度离心分离的方法，从蓝隐藻( Chroomonas placoidea )中稳定分离到了4种活性的叶绿素蛋白复合物，分别为2种捕光复合物、1种PSⅡ颗粒和1种PSⅠ颗粒.采用圆二色谱技术对分离到的复合物进行了全波段(190~750 nm)光谱测定，结果显示：①远紫外区：二级结构预测表明各复合物的无规卷曲比例相近，约占30%左右；PSⅠ颗粒和1种PSⅡ和捕光复合物含有更高比例的α-螺旋和β-转角，但几乎不存在β-折叠.②近紫外区：在芳香族氨基酸的三级结构信号区，各复合物均未观测到Tyr的信号峰.③可见光区：690 nm附近信号峰的有无是隐藻捕光复合物和中心复合物的一个区别.实验结果不仅给出了隐藻叶绿素蛋白复合物性质的新信息，也为今后叶绿素蛋白复合物的分析和鉴定提供了新的光谱鉴定依据.%By using the method of sucrose density gradient centrifugation, four types of active chlorophyll protein complexes are isolated routinely from Chroomonas placoidea, among which are two types of light harvesting comple-xes, one types of PSⅡparticle and one types of PSⅠparticle. Method of circular dichroism is used to carry out a full band (190-750 nm) spectrum measurement of complexes and the results show that:①In the far UV region, the proportion of random coil in each complex is similar, which accounts for about 30% according to secondary structure prediction. There exists higher proportion of α-helix and β-turn in PSⅠparticle than in PSⅡparticle and light harvesting complexes, but hardly anyβ-sheet is detected. ②In the near UV region, no signal peak of Tyr is observed in any complexes in tertiary structure of aromatic amino acids. ③In the visible light region, the presence and absence of a signal peak discriminate the light harvesting complexes and the core complexes in cryptophytic al-ga. These results can provide not only new information of the characteristics of chlorophyll protein complexes from cryptophytic alga, but also new foundation for the analysis and identification of chlorophyll protein complexes.
摘要：AgSnO2(8)Y2O3(2) electrical contact material is prepared by reactive synthesis and cold extrusion with deformation of 20%. Effects of different annealing temperatures on microstructure and properties of the composite are investigated in present paper. The results show that during the annealing process, the oxide particles tend to segregate on the grain boundaries, which impede the removal of the boundaries and the rearrangement of disloca-tions and inhibit the recrystallization. With the annealing temperature increasing, the micro-hardness continuously decreases, while the conductivity increases constantly. The fracture mode of the composite is typical plastic fracture and the deformation mainly occurs in the Ag matrix. The oxide particles can impede the deformation and reinforce the material. Under DC load condition, arcing ablation of AgSnO2(8)Y2O3(2) material occurs at the brim of con-tact.%采用反应合成法制备了AgSnO2(8) Y2 O3(2)电接触材料,并对其进行变形程度为20%的挤压,研究了不同退火温度对材料显微组织与性能的影响。结果表明,退火过程中氧化物颗粒易于在晶界偏聚,阻碍晶界的移动和位错的重排,从而抑制了再结晶的进行。随着退火温度的升高,材料的显微硬度不断下降,而导电率不断提高。材料的断裂方式为塑性断裂,变形主要在Ag基体上进行,氧化物颗粒可起到阻碍变形、强化材料的作用。在直流负载条件下,AgSnO2(8)Y2O3(2)材料表现出边缘优先烧蚀的特性。
摘要：In order to study the performance of circle steel tube under axial load which suffers impact load, the non-linear analysis model is built by using finite element analysis software ABAQUS. The analysis subject is a circular tube with one end fixed on and the other end being a movable ring. It can be concluded that axial load level has a marked effect on the failure mode, bearing capacity, deformation and energy. With the increase of axial pressure, the impact force platform value increases gradually, along with midspan deflection and energy consumption.%采用有限元软件ABAQUS建立了构件冲击荷载下的理论分析模型。对一端固定一端可纵向移动薄壁圆钢管进行了有限元研究，分析得到圆钢管在不同轴压力作用下经受侧向冲击后的构件破坏模态，并得到随着轴压力的增加，冲击力平台值逐渐增大，跨中挠度逐渐增大，耗能逐渐增大的结果。
摘要：Based on the data from bottom trawl surveys before and after larva releasing for stock enhancement, the fishery community structure of Portunus trituberctdatus in the releasing areas in southern Shandong peninsula is ana-lyzed using multivariate statistical software PRIMER5. 0 including cluster, non-metric multi-dimensional scaling ( MDS) , analysis of similarity, and abundance biomass comparison( ABC) curve. The results show that the relea-sing does not lead to obvious difference (R=0. 073, P>0. 05) in community structure, while the dominant spe-cies change after releasing. Crustaceans become the dominant species and the critical factors in community group-ing. Whereas the diversity index of the fishery community has no change. The ABC curves show that enhancement and fish migratory could improve the quality of community structure, but the effect is limited in a short term.%根据2012年三疣梭子蟹放流前后的渔业资源调查数据,借助大型多元统计软件PRIMER的聚类分析、多维排序尺度、相似性分析以及生物量丰度曲线分析功能,对山东半岛南部各放流海湾渔业生物群落结构进行了分析.结果表明,在调查时间段内,山东半岛南部海域渔业生物群落结构差异不明显(R=0.073,P>0．05),各放流海湾的群落优势种在放流以后发生改变,以甲壳类为优势种主体,并成为组群划分的决定性因素,但群落的多样性指数基本不变；丰度生物量比较( ABC )曲线的变化表明,增殖放流以及鱼群洄游虽然对群落结构的变化产生了一定影响,但作用有限.
摘要：提出一种新型的装配整体式剪力墙结构体系---预制双向孔模板剪力墙，进行了一片带现浇边缘构件的预制双向孔模板剪力墙和一片普通混凝土对比剪力墙在恒定轴向压力下的低周反复加载试验，研究了预制双向孔模板剪力墙的受力性能。结果表明：预制双向孔模板剪力墙沿预制空心板竖向孔洞处混凝土出现宏观竖向裂缝，墙体的破坏特征与钢筋混凝土剪力墙显著不同，可避免剪切破坏，墙体有较大的变形能力，抗震性能良好。%The pre-cast two-way hollow slab shear wall is proposed as a new type of assembled monolithic concrete shear wall. Low-cycle loading tests under constant axial force are carried out for one precast two-way hollow slab shear wall with cast-in-situ boundary elements and one contrastive concrete shear wall. The anti-seismic behavior of precast two-way hollow slab shear wall is analyzed. The test results indicate that macroscopic vertical cracks ap-peared along vertical holes of precast slab. The prefabricated wall performs different from the contrastive wall at fail-ure. The prefabricated wall is a non-brittle one. The deformation capacity that helped improve the seismic behavior is excellent.
摘要：The definition of ω-density in L-fuzzy order-preserving spaces is introduced and a partial answer for the problem proposed by Chen’ s in 2007 is obtained.%在L-fuzzy保序算子空间中引入ω-稠密度的概念，并研究点集拓扑学中关于浓度成立的Hewitt-Marczewski-Pondiczery定理是否关于ω-稠密度也成立，给出了一个部分解答。
摘要：基于第一性原理方法，计算了氧钝化圆形孔缺陷石墨烯的电磁学特性。根据缺陷碳原子数目(Cn)的不同，圆形孔缺陷石墨烯呈现出了锯齿型(扶手椅型)边界，并且具有反铁磁(顺磁)基态，所有的圆形孔缺陷石墨烯都显现出了半导体性质。氧钝化的孔缺陷石墨烯均是半导体，而且呈现出了多样性的几何结构。研究发现，与氢钝化圆形孔缺陷石墨烯不同，氧钝化圆形孔缺陷石墨烯存在着更稳定的非平面结构。非平面结构的 C6+O与C12+O展现出了半导体性质，而C24+O展现出了导体性质。研究表明：氧原子可以用于调节孔缺陷石墨烯的导电性质，并且为石墨烯孔结构器件设计提供有价值的理论指导。%Based on a first-principles approach, the electronic and magnetic properties of oxygen-passivated gra-phene sheets with circular nanohole defects are investigated. Depending on the number of the carbon atom (Cn) in defect, graphene nanoholes show zigzag ( armchair) shaped edge with anti-ferromagnetic ( paramagnetic) ground state, and all the graphene nanoholes are semiconductor. The results show that oxygen-passivated graphene nano-holes belong to semiconductor materials and have a rich geometrical structure. Unlike hydrogen-passivated graphene nanoholes, the oxygen-passivated graphene nanoholes can attain a lower energy configuration by adopting a nonpla-nar geometry. The nonplanar structures of C6+O and C12+O are semiconductor, however, the nonplanar structures of C24+O become a conductor. Our works suggest that oxygen atom could be used to manipulate the electronic struc-tures of graphene nanoholes and supply a valuable theoretical guidance for graphene-based electronic device design.
摘要：The mixing performance of three-layer combined impellers are studied in xanthan gum water solution, while oxygen and heat transfer coefficients of different combination impellers for indicating the micro-mixing state are compared. The results show that A315 as substrate impeller is conductive to get better mixing. DT2 can provide large flow space for fluid, so that large circulation is easily formed and thus tank mixing is promoted.%在黄原胶溶液中研究了三层组合桨的混合性能，采用能反映微观混合状态的传氧系数和传热系数对多层桨进行了比较。结果表明，下层桨采用A315有利于流体的混合；改后涡轮桨能够提供更多的流动空间，有利于形成大循环而促进全釜混合。
摘要：In order to improve the thermal stability of betalains in beetroot juice, single or complex addition of twelve additives is optimized and compared. The results show that complex addition of 0. 15% ascorbic acid and 0. 05% calcium chloride to beetroot juice can lower the ratio of A483 to A535 from 0. 984 to 0. 687, and improve the stability of betalains greatly.%为了提高甜菜汁中甜菜红色素遇热时的稳定性,结合工业化生产要求,对12种常用食品添加剂进行了单一添加和复合添加的稳定性实验.结果表明,在甜菜汁中,加入0．15%的抗坏血酸和0．05%的CaCl2,可使A483/A535由0．984降至0．687,大大提高了甜菜红色素的稳定性.