Transmission of conformational change in insulin

Crystal structures of insulin contain molecules that are similar but not identical in conformation. Packed helices move relative to each other, these shifts being accommodated by motions of side-chain atoms arising from small changes in torsion angles. Such low-energy conformational adjustments can accommodate shifts of no more than approximately 1.5 A. This limits the extent to which conformational changes can be dissipated locally, causing their transmission over long distances.     

自校正内模控制器

提出了设计自校正内模控制的新方法。该方法把输出预测误差划分为有规律和无规律误差两部分。通过在线辨识建立有规律误差的预报模型,由此模型对误差值进行自适应预报,达到对内模控制器的在线校正,而对无规律的误差只作闭环反馈修正,最后达到消除系统的稳态余差。本方法比通常自校正内模控制算法的运算量大大减少,而在对象参数在一定范围内漂移时,同样能取到自校正效果。     

s-水平因析设计的广义分辨度和最小低阶混杂准则

对于二水平因析设计，献[2，3]提出了广义分辨度和最小低阶混杂准则对不同的(正规的或非正规的)设计排序．本将他们的结果推广到任意的s-水平因析设计得到了一般的形式，其中s是任意素数或素数幂．     

Context-dependent contributions of backbone hydrogen bonding to beta-sheet folding energetics

Backbone hydrogen bonds (H-bonds) are prominent features of protein structures; however, their role in protein folding remains controversial because they cannot be selectively perturbed by traditional methods of protein mutagenesis. Here we have assessed the contribution of backbone H-bonds to the folding kinetics and thermodynamics of the PIN WW domain, a small beta-sheet protein, by individually replacing its backbone amides with esters. Amide-to-ester mutations site-specifically perturb backbone H-bonds in two ways: a H-bond donor is eliminated by replacing an amide NH with an ester oxygen, and a H-bond acceptor is weakened by replacing an amide carbonyl with an ester carbonyl. We perturbed the 11 backbone H-bonds of the PIN WW domain by synthesizing 19 amide-to-ester mutants. Thermodynamic studies on these variants show that the protein is most destabilized when H-bonds that are enveloped by a hydrophobic cluster are perturbed. Kinetic studies indicate that native-like secondary structure forms in one of the protein's loops in the folding transition state, but the backbone is less ordered elsewhere in the sequence. Collectively, our results provide an unusually detailed picture of the folding of a beta-sheet protein.     

碱式聚苯胺的小尺寸效应

利用改进的Ginder-Epstein模型计算了碱式聚苯胺在不同链长的自洽变分基态,结果表明:体系的几何结构和电子结构不仅与链长N有关,而且与体系单体数目的结构有关.4n+2体系与4n体系有不同的电子态;当N<40,苯环扭角和能隙随N的减小而增大,醌环扭角和键序波幅却随N的减小而减小;当N40,这些差异都消失,体系趋于稳定.     

大型火力发电厂框排架主厂房结构动力特性研究

为了解和掌握大型火力发电厂框排架主厂房结构的动力特性,选取300和1 000MW钢筋混凝土框排架结构体系,600和1 000MW钢筋混凝土带端部剪力墙结构体系,以及1 000MW钢框排架结构体系,通过分别建立有限元模型进行模态分析,得到其自振周期和振型.分析结果表明,框排架结构体系刚度分布不均匀,扭转效应普遍存在,其中钢筋混凝土结构体系扭转效应较为严重;为避免结构在地震作用下发生扭转破坏,在主厂房结构设计中,应注意横向和纵向刚度合理分布;钢结构体系扭转效应较轻,但其用钢量较大,造价昂贵,不太适合在欠发达、高烈度地区采用.提出采用型钢混凝土混合结构体系作为主厂房结构体系,并对设计的1 000MW混合结构体系进行有限元模态分析,结果表明该结构体系可以有效降低结构扭转效应,具有很好的推广应用价值.     

Solid-state NMR determination of the secondary structure of Samia cynthia ricini silk

Silks are fibrous proteins that form heterogeneous, semi-crystalline solids. Silk proteins have a variety of physical properties reflecting their range of functions. Spider dragline silk, for example, has high tensile strength and elasticity, whereas other silks are better suited to making housing, egg sacs or the capture spiral of spiders' webs. The differing physical properties arise from variation in the protein's primary and secondary structure, and their packing in the solid phase. The high mechanical performance of spider dragline silk, for example, is probably due to a beta-sheet conformation of poly-alanine domains, embedded as small crystallites within the fibre. Only limited structural information can be obtained from diffraction of silks, so further characterization requires spectroscopic studies such as NMR. However, the classical approach to NMR structure determination fails because the high molecular weight, repetitive primary structure and structural heterogeneity of solid silk means that signals from individual amino-acid residues cannot be resolved. Here we adapt a recently developed solid-state NMR technique to determine torsion angle pairs (phi, psi) in the protein backbone, and we study the distribution of conformations in silk from the Eri silkworm, Samia cynthia ricini. Although the most probable conformation in native fibres is an anti-parallel beta-sheet, film produced from liquid directly extracted from the silk glands appears to be primarily alpha-helical.     

Global Spiral Patterns in Galaxies : A Review of the Density Wave Theory from the Theoretical Perspective

ＧｌｏｂａｌＳｐｉｒａｌＰａｔｅｒｎｓｉｎＧａｌａｘｉｅｓ：ＡＲｅｖｉｅｗｏｆｔｈｅＤｅｎｓｉｔｙＷａｖｅＴｈｅｏｒｙｆｒｏｍｔｈｅＴｈｅｏｒｅｔｉｃａｌＰｅｒｓｐｅｃｔｉｖｅＣｈｉａ－ＣｈｉａｏＬｉｎＤｅｐａｒｔｍｅｎｔｏｆＭａｔｈｅｍａｔｉｃｓ，...     

薄壁杆件结构一维有限元精确刚度矩阵

薄壁杆件结构广泛应用于公路桥梁、航空、造船、海洋工程等领域,但其结构分析计算较为复杂,为了得到更好的计算效果,研究了其静力分析的新方法。考虑弯扭耦合作用并重新推导了广义力和广义位移的关系,求解静力下的微分方程组时,把矩阵特征值解法与多项式特征解法结合在一起,得到了用于薄壁结构静力分析计算的有限元精确刚度矩阵。编写了有限元计算程序并引入算例验证,算例的结果表明:该方法的计算结果高效、准确,只用很少的有限元单元数目便可得到很精确的计算结果。     

设计偏心距对偏心结构弹塑性扭转反应的影响

通过对三片抗侧力单元构成的偏心结构进行弹塑性时程分析,研究了弹塑性侧扭耦合反应与输入地震动强度之间的关系.随着输入地震动强度的增大,结构扭转反应经历3个阶段的变化,在弹性范围内扭转角单调增大,开裂后逐渐减小,屈服后则继续增大.扭转对侧向振动的影响则逐渐减小,侧扭耦合程度逐渐降低.分析结果表明:通过设计偏心距对偏心结构进行强度分配,可以控制弹塑性扭转反应并提高结构侧向变形能力.设计偏心距的不同取值,对刚性边构件的屈服水平和延性需求的影响最大.文章还对偏心结构基于性能的抗震设计进行了展望.     

Relationships of mRNA-protein secondary structures in the human β-globin gene HBB and four variants

Single nucleotide polymorphism is an interesting problem that can alter gene expression,recode amino acids and affect protein function.Protein structural changes have generally been attributed to amino acid replacements,and only a few research efforts have examined the effects of mRNA structural changes to the conformation of the corresponding protein coded by the mRNA.In the present study,the human β-globin HBB gene and four variants were examined.The mRNA secondary structures were constructed using the dynamic extended folding method and the encoded protein secondary structures were obtained from related databases.Comparisons were performed between these structures before and after mutations were introduced into the mature mRNAs and the proteins.We focused on the structural changes from mRNA to protein and found that regular protein conformations tend to match stable mRNA regions,whereas irregular protein conformations,such as β/γ turns and random coils,often match unstable mRNA regions.Mutations within unstable regions can alter the mRNA secondary structure and leave footprints in the protein structure.Comparison of the mRNA-protein secondary structure relationships represents a potential strategy to explore protein functional changes.     

Modeling of 3D-structure for regular fragments of low similarity unknown structure proteins

Because it is hard to search similar structure for low similarity unknown structure proteins dimefly from the Protein Data Bank(PDB)database,3D-structure is modeled in this paper for secondary structure regular fragments(α-Helices,β-Strands)of such proteins by the protein secondary structure prediction software,the Basic Local Alignment Search Tool(BLAST)and the side chain construction software SCWRL3.First.the protein secondary structure prediction software is adopted to extract secondary structure fragments from the unknown structure proteins.Then.regular fragments are regulated by BLAST based on comparative modeling,providing main chain configurations.Finally,SCWRL3 is applied to assemble side chains for regular fragments,so that 3D-structure of regular fragments of low similarity un known structure protein is obtained.Regular fragments of several neurotoxins ale used for test.Simulation results show that the prediction errors are less than 0.06nm for regular fragments less than 10 amino acids,implying the simpleness and effectiveness of the proposed method.     

空间薄壁梁完全拉格朗日格式几何刚度矩阵

根据Timoshenko梁理论和Vlasov薄壁杆件理论,通过设置单元内部节点,对弯曲转角和翘曲角采取独立插值的方法,建立了可以考虑剪切变形、弯扭耦合和二次剪应力影响的空间薄壁截面梁几何非线性有限元模型。以拉格朗日格式描述几何非线性应变推得几何刚度矩阵.算例表明所建立模型具有良好的精度,适用于空间薄壁结构的几何非线性有限元分析.     

高压下碱式聚苯胺芳环扭角与能隙的缩减

利用Ginder-Epstein模型计算了碱式聚苯胺在不同模型参数V2,0下的自洽变分基态,并通过芳环扭角估算聚合物压强.结果表明芳环扭角和能隙随压强的增大而缩减,当压强增大到7.66 GPa时芳环扭角趋零,能隙则减小至0.74 eV.这一理论与实验上观察到的随压力增大聚苯胺电导率增高的现象相吻合.     

Analysis of components of conserved “backbone sequences”among genomes of Shigella spp. strains

Difference in the genomic compositions of prokaryotes is the basis of the diversity in their biological characters. However, besides their flora-or strain-specific genes,those floras with closer relationship in the evolution also have conserved “backbone sequences”, which reveal the marks of their origin and evolution, and these “backbone sequences”are just the basis of their elementary living abilities and common biological properties. Shigella is very closely related to E. coli in the origin and evolution, and may turn out to belong to the same genus. In this study, a microarray containing E. coli K-12 whole genome and Sf301 specific ORFs is used to investigate the genomic components of four Shigella strains. The results indicate that 16%-22% K-12 ORFs sequences are not detected in the genome of Shigella strains while the genome of Shigella contains at least 2800 conserved ORFs, which compose the common “backbone sequences”.Advanced analysis indicated that the “backbone sequences”are the essential components in maintaining the normal physiological activities of intestinal bacteria. Furthermore,only 20% Sf301-specific ORFs exist in other strains simultaneously, which demonstrate the great genome heterogeneity and the genetic diversity among the strains.     

水平荷载作用下砌体墙-钢筋混凝土墙组合结构扭转的近似计算

扭转近似计算建立在平面结构及楼板在自身平面内无限刚性这两个基本假定的基础上．先作平移下的内力分析,然后考虑扭转作用对内力及位移作修正．提出在水平荷载作用下考虑扭转作用的剪力修正公式．公式简单实用,可用于水平地震作用下砌体墙-钢筋混凝土墙组合结构扭转的近似计算．     

非同源球蛋白三级结构预测

研究了主链二面角的统计分布，在Ｒａｍａｃｈａｎｄｒａｎ图上将二面角（　，ψ）分成６个区域．对于每一残基，考虑其前后残基的影响后，给出在这些区域中出现的相对几率．根据Ｂｏｌｔｚｍａｎｎ原理，由几率导出能量．再考虑非局域的蛋白质整体性质（结构含量、疏水作用等）对系统能量的贡献，由能量极小化定出结构．对（　，ψ）的预测成功率为５３．４％．若由结构含量实测值出发，可使预测成功率达５７．３％．亲疏水氨基酸在球蛋白中分布的符合率为５１％．讨论了由（　，ψ）分区值导出整体结构的问题．     

章法风格论--以"多、二、一(0)"结构作考察

由于章法是建立在二元(阴柔、阳刚)对待之基础上的,所讲求的是篇章“多、二、一(0)”的逻辑结构,因此其风格之形成,便与这种由二元(阴柔、阳刚)对待所组织而成之“多、二、一(0)”结构与其“移位”、“转位”,息息相关;而其中之“二”,除一面彻下以统合结构与节奏之“多”,一面彻上以归根于“一(0)”,凸出一篇之主旨、韵律与风格等,发挥彻上彻下之功用外,也用于指核心结构之阴柔或阳刚属性,可以说乃关键性之“二”,居于既能收束又能发散的地位,在其它各辅助结构(多)的支持下,形成“调和”(阴柔)或“对比”(阳刚)。     

潜体在不同浪向的双色波中受到的二阶慢漂力

为了采用谱分析方法预报海洋结构和船舶在随机海浪中所受的二阶波浪力,必须先求得海洋结构物和船舶在任意单色波和双色波中受到的二阶波浪力,本文基于严格的量级分析,对有航速的细长体（浮体或潜体）,建立由不同浪向双色波作用在细长体上产生的二阶波浪力的切片理论;并考察了不同浪向的双色波作用在椭球体上产生的慢漂力及其在不同的频率以及浪向角组合下的变化规律。     

刚体定点转动欧拉角的几何性质

以一个两质点刚体为例,通过计算曲率和挠率,验证了欧拉角空间是无挠率的Riemann空间与刚体角速度对应的准坐标空间是有挠率的Riemann-Cartan空间的结论.