用光栅式位移传感器测金属丝的杨氏模量

本文介绍了用光栅式位移传感器测量金属丝微小伸长量的实验方法。     

光合反应中心原初电子转移机理的理论研究

用量子化学密度泛函B3LYP方法在3-21G水平上计算细菌光合反应中心原初电子给体P960和绿色植物PSⅡ光合反应中心原初电子给体P680的电子结构,然后研究轴向配位的组氨酸残基和周围蛋白质环境的影响,最后探讨其原初电子转移机理。计算结果表明：(1)细菌光合作用反应中心原初电子给体P960-h的HOMO主要是由与M分支相连的组成单元上原子的原子轨道组成,而它的LUMO则两个组成单元上原子的原子轨道都有贡献;PSⅡ反应中心中原初电子给体P680的HOMO和LUMO均主要由与D1蛋白相连的组成单元上原子的原子轨道组成。这些计算结果能够从反应中心最核心的部分-原初电子给体的电子结构方面解释Rps.uiridis反应中心和PSⅡ反应中心原初电子转移只沿一个分支进行的的途径选择性。(2)虽然与细菌反应中心原初电子给体超分子P960的两个细菌叶绿素分子形成轴向配位的组氨酸残基His并未参与超分子P960-h的HOMO和LUMO的组成,但是由于其轴向配位,使得P960-h的ELUMO显著地升高到高于辅助细菌叶绿素和去镁细菌叶绿素的相应值,使得原初电子转移反应能够顺利进行。否则原初电子转移反应很难进行。PSⅡ反应中心的情况,与细菌反应中心十分相似。(3)细菌反应中心辅助细菌叶绿素(ABChlb)中的Mg离子与最近的组氨酸残基His中的N原子的距离和原初电子给体P960中的相应的Mg-N的距离相似,因此同样应该考虑此轴向配位的组氨酸残基,此时原初电子转移反应是沿L分支从P960-h经ABChlb到去镁细菌叶绿素(BPheob)的两步电子转移过程。而PSⅡ反应中心的辅助叶绿素不存在His的轴向配位,这应是与细菌反应中心的重要区别之一,此时原初电子转移应是沿Dl分支从P680-h到Pheoa的一步电子转移过程,但同时也不能完全排除从P680-h到AChla到Pheoa的二步电子转移过程。     

四阶椭圆问题有限元导数恢复技术与超收敛性

1引言有限元导数恢复技术是近年来发展起来的计算有限元导数并获得导数逼近超收敛性的一种新的后处理技术.对于一维和二维区域上的二阶椭圆边值问题,文[1,2]提出了Z-Z小片插值技术,得到了有限元导数逼近在小片恢复区域上的一阶超收敛结果和剖分节点处二阶强超收敛性;文[3,4]则建立了更为实用的小片插值恢复技术并得到与文[1,2]相平行的超收敛结果;文[5]对两点边值问题构造了一种积分形式的导数恢复公式,利用这个公式可获得剖分节点处有限元导数逼近的O(h~(2k))阶超收敛估计.本文将对一维四阶椭圆     

普适的基于能量的分块局域激发态聚类算法

在普适的基于能量的分块(GEBF)方法的框架下,大体系的局域激发(LE)能可通过一系列活性子体系激发能的线性组合近似得到,从而有效降低了计算的时间标度.然而,在体系的局域激发具有多个激发态的情形下,如何有效识别所有活性子体系的激发特征并将其组合是一个挑战.提出了一种基于局域激发态聚类的算法.该方案基于空穴-电子分析和基于密度的聚类(DBSCAN)机器学习算法,可以自动地聚合不同子体系中最相似的激发态并组合得到相应的局域激发态能量或激发能.结合该算法改进的LE-GEBF方法在荧光分子衍生物、荧光染料-水团簇及绿色荧光蛋白模型体系的计算中均获得了令人满意的结果.该算法有望大大提升LE-GEBF方法在计算局域激发时的稳定性和准确性,并可以有效处理吸收光谱具有多重峰的大体系.     

Highly sensitive,stretchable and durable strain sensors based on conductive double-network polymer hydrogels

Hydrogel-based strain sensors have been attracting immense attention for wearable electronic devices owing to their intrinsic soft characteristics and flexibility. However, developing hydrogel sensors with hightensile strength, stretchability, and strain sensitivity remains a great challenge. Herein, we report a technique to synthesize highly sensitive hydrogel-based strain sensors by integrating carbon nanofibers (CNFs) with a double-network (DN) polymer hydrogel matrix comprising of a physically cross-linked agar network and a covalently cross-linked polyacrylamide (PAAm) network. The resultant nanocomposite sensors display superior piezoresistive sensitivity with a hightrue gauge factor (GF_T = 1.78) at an ultrahigh strain of 1,000%, a fast response time and linear correlation of ln(R/R₀) and ln(L/L₀) up to 1,000% strain. Most significantly, these sensors possess highmechanical strength (~0.6 MPa) and superb durability (>1,000 cycles at strain of 100%), stemming from the effective energy dissipation mechanism of the first agar network acting as sacrificial bonds and the CNFs serving as dynamic nanofillers. The combination of highstrain sensitivity and ultrahigh stretchability of hydrogel sensors makes it possible to sense both small mechanical deformations induced by human motions and large strain up to 1,000%.     

Synthesis and in vivo evaluation of 18F-cPNA and Dendrimer-PNA conjugate for amplification pretargeting

Journal of Radioanalytical and Nuclear Chemistry - Amplification pretargeting strategies have great potential in nuclear medicine to increase the tumoral radioactivity concentration compared to...     

A direct global superconvergence analysis for Sobolev and viscoelasticity type equations

In this paper we study the finite element approximations to the Sobolev and viscoelasticity type equations and present a direct analysis for global superconvergence for these problems, without using Ritz projection or its modified forms.     

Operators on the Lattice of Pseudovarieties of Finite Semigroups

L (F) of pseudovarieties of finite semigroups that attempts to take full advantage of the underlying lattice structure, Auinger, Hall and the present authors recently introduced fourteen complete congruences on L (F). Such congruences provide a framework from which to study L (F) both locally and globally. For each such congruence ρ and each U∈L (F) the ρ-class of U is an interval [U ^ρ, U _ρ]. This provides a family of operators of the form U⇒Uρ on L (F) that reveal important relationships between elements of L (F). Various aspects of these operators are considered including characterizations of U ^ρ, bases of pseudoidentities for U ^ρ, instances of commutativity (U ^ρ)^σ = U ^σ)^ρ, as well as the semigroups generated by certain pairs of such operators.     

Vibration mode of torsion balance and its response to external shock

Intrinsic vibration modes of typical torsion balances and their response to the external shock are discussed in detail. The study is important and instructive for improving measurement precision of gravitational experiments employing torsion balances, and gives a reasonable interpretation on detecting earthquake by high precision torsion balance. Project supported by the National Natural Science Foundation of China.