A sequence and structural study of transmembrane helices

A comparison is made between the distribution of residue preferences, three dimensional nearest neighbour contacts, preferred rotamers, helix-helix crossover angles and peptide bond angles in three sets of proteins: a non-redundant set of accurately determined globular protein structures, a set of four-helix bundle structures and a set of membrane protein structures. Residue preferences for the latter two sets may reflect overall helix stabilising propensities but may also highlight differences arising out of the contrasting nature of the solvent environments in these two cases. The results bear out the expectation that there may be differences between residue type preferences in membrane proteins and in water soluble globular proteins. For example, the -branched residue types valine and isoleucine are considerably more frequently encountered in membrane helices. Likewise, glycine and proline, residue types normally associated with `helix-breaking' propensity are found to be relatively more common in membrane helices. Three dimensional nearest neighbour contacts along the helix, preferred rotamers, and peptide bond angles are very similar in the three sets of proteins as far as can be ascertained within the limits of the relatively low resolution of the membrane proteins dataset. Crossing angles for helices in the membrane protein set resemble the four helix bundle set more than the general non-redundant set, but in contrast to both sets they have smaller crossing angles consistent with the dual requirements for the helices to form a compact structure while having to span the membrane. In addition to the pairwise packing of helices we investigate their global packing and consider the question of helix supercoiling in helix bundle proteins.     

Theoretical study on the structure and property relationship of the cationic conjugated polyelectrolytes

A theoretical study using density functional theory was performed to understand the structure/property relationship of the cationic conjugated polyelectrolytes, poly[9,9-bis-(6′-N,N,N-trimethylammonium) hexyl] fluorene-alt-4,7-(2,1,3-benzothiadiazole)] (PFBT-X, where X = Br). The torsion angle between the fluorene and benzothiadiazole units in the PFBT monomer was found to substantially affect the structural and electronic properties of the cationic PFBT monomer. The changes of geometrical parameter, HOMO and LUMO energy levels, and band gap, as well as the absorption maximum are discussed in terms of the torsion in the PFBT monomer structure. For comparison, its neutral analogue, the monomer of poly(9,9-di-n-octylfluorene-alt-benzothiadiazole) (F8BT) was also studied. The length of conjugation backbone was also examined.     

Dispersion of silica nano-particles in sol-gel hybrid resins for fabrication of multi-scale hybrid nanocomposite

Multi-scale hybrid nanocomposites containing both ∼15 nm silica colloids and ∼2 nm oligosiloxanes in a methacryl polymer matrix were newly designed and fabricated. Colloidal silica sols were dispersed in methacryl oligosiloxanes nano-hybrid resins synthesized by sol-gel reaction of methacryloxypropylmethoxysilane and diphenylsilanediol. On the basis of TEM and SANS analyses, it was confirmed that the silica colloids were compatibly dispersed and different sizes of colloidal silica and oligosiloxanes co-exist in the solutions. Multi-scale hybrid nanocomposites fabricated by UV and thermal curing with incorporation of silica colloids in the nano-hybrid materials show enhanced mechanical and thermal characteristics.     

苯、甲苯、一氯代苯对含水卵磷脂液晶结构影响的SAXS研究

苯及其衍生物甲苯,一氯代苯都是重要的有机试剂和化工原料,也是对人体有害的有机物。为了了解这些有机试剂对处于生物液晶态的生物膜毒害的机理,我们以含水卵磷脂组成的液晶体系作为人工模型用小角X射线散射(SAXS)方法探讨这些有机试剂对它们结构的影响。关于苯或其它非极性有机介质与含水卵磷脂形成液晶体系及其结构模型前人有一些报导。     

计算旋转螺旋面三维边界层的一种积分方法

本文将计算二维层流边界层的Thwaites方法和计算二维湍流边界层的Truckenbrodt方法推广,用以求解旋转系统的“准三维”边界层方程,得到了计算旋转螺旋面上三维边界层的一种可迭代求解的积分方法.应用此方法进行了两例计算.计算结果与理论精确解或实验测量的对比表明,本文方法是有效的.     

Upper bound of Kähler angles on the β-symplectic critical surfaces

Let (M,g) be a Kähler surface and \mathrm{\Sigma } be a \beta-symplectic critical surface in M. If L_q\left(\mathrm{\Sigma }\right) is bounded for some q>3, then we give a uniform upper bound for the Kähler angle on \mathrm{\Sigma }. This bound only depends on M,q,\beta and the L_q functional of \mathrm{\Sigma }. For q>4, this estimate is known and we extend the scope of q.     

凸轮实测中角度基准偏移误差的消除方法

引起凸轮测量误差的主要原因之一是实测时的角度基准与理论设计时的角度基准不一致,本文利用凸轮的一次离散实测数据,采用分段抛物线拟合函数,以角度搜索法插值得到不同角度基准下的多组测量数据．从各组测量数据与设计数据的各个最大偏差值中,找到最小值,它所对应的角度基准即为该凸轮的准确的角度基准．通过编程并在实测凸轮中验证了此方法的可靠性．     

基于雷达导引头角度跟踪特性的战斗机机动控制方法

通过分析导弹导引头角度自动跟踪系统的跟踪特性,明确了跟踪误差产生机理及对跟踪系统的影响,提出了战斗机规避导弹攻击的机动控制目标。以二维平面内导弹攻击为例,建立了导弹与战斗机的相对追逃运动模型。基于动态逆理论,对中断导引头角度跟踪的机动控制方法进行分析,推导了战斗机的规避机动控制律。通过仿真验证了该方法的有效性。     

战斗机网络攻击指令引导控制方法

对战斗机网络攻击指令引导控制方法进行了研究。建立了导弹拦射攻击模型和导弹发射边界模型;以航向角和高度为引导指令建立网络指令引导解算模型;基于典型作战场景对上述模型进行仿真实验分析。仿真结果表明:不管针对非机动目标还是机动目标,采用网络攻击指令引导方法都能实现最大火力包线的战斗机网络攻击引导。     

坐标动量几率相关分布的辛普森法研究

用辛普森法研究了不同体系的粒子在动量空间和坐标空间的几率分布的相关性及坐标和动量的分布宽度之积与宽度内所含几率的关系。