Preparation of Porous Protein-Based Hydogel for Highly Sensitive Protein Chips

Summary: Protein chips are important tools for high-throughput analysis of biological events. We have developed a novel method to prepare a protein-based hydrogel, that is, a “Three-Dimensional Nano-structured Protein Hydrogel” (3-D NPH), which is composed of protein and polymer nano-particles. The 3-D NPH could be easily prepared by dispensing a protein and polymer mixture on a substrate. Surprisingly, gold particles conjugated with protein A diffused into the 3-D NPH which was made of mouse IgG through the pores. We have shown that the protein chips made with our 3-D NPH method has tremendously improved sensitivity in detecting protein-protein interactions compared with that of direct protein immobilization methods.     

基于改进灵敏度过滤策略的SIMP方法

在传统变密度法SIMP(Solid Isotropic Microstructures with Penalization)中,Sigmund灵敏度过滤策略是解决拓扑优化结果数值不稳定问题的重要方法之一。但在SIMP方法中采用Sigmund灵敏度过滤策略时,有时优化结果会有较多的灰度单元。为了减少拓扑优化结果中灰度单元的数量,提出了一种基于改进灵敏度过滤策略的SIMP方法。在过滤后单元灵敏度的计算中,增加了一个与中心单元过滤前灵敏度有关的部分,该部分在过滤后灵敏度中所占的比重需要通过过滤权重来调节。通过对灵敏度过滤需要的分析,确定了过滤半径和中心单元密度值是影响过滤权重的因素。根据拓扑优化实例的优化结果给出了过滤半径影响过滤权重的情况,并基于过滤半径对过滤权重的影响情况构建了过滤权重的函数。在改进灵敏度过滤策略的基础上,结合双重SIMP算法给出了本文SIMP方法的流程。最后,以悬臂梁结构和简支梁结构为例,验证了本文方法的有效性。与Sigmund灵敏度过滤策略相比,改进的灵敏度过滤策略能有效地减少灰度单元。与双重SIMP方法相比,本文SIMP方法能有效地减少数值不稳定现象。     

Discrete element modeling of the effect of particle size distribution on the small strain stiffness of granular soils

Discrete element modeling was used to investigate the effect of particle size distribution on the small strain shear stiffness of granular soils and explore the fundamental mechanism controlling this small strain shear stiffness at the particle level. The results indicate that the mean particle size has a negligible effect on the small strain shear modulus. The observed increase of the shear modulus with increasing particle size is caused by a scale effect. It is suggested that the ratio of sample size to the mean particle size should be larger than 11.5 to avoid this possible scale effect. At the same confining pressure and void ratio, the small strain shear modulus decreases as the coefficient of uniformity of the soil increases. The Poisson’s ratio decreases with decreasing void ratio and increasing confining pressure instead of being constant as is commonly assumed. Microscopic analyses indicate that the small strain shear stiffness and Poisson’s ratio depend uniquely on the soil’s coordination number.     

Downward self‐polarization of lead‐free (K0.5Na0.5)(Mn0.005Nb0.995)O3 ferroelectric thin films on Nb:SrTiO3 substrate

Spontaneously appearing macroscopic polarization (self‐polarization) in ferroelectrics without an electrode or an external electric field would enable the freedom to design many ferroelectric heterostructures and devices. The (K_0.5Na_0.5)(Mn_0.005Nb_0.995)O₃ (KNMN) thin film was grown on Nb:SrTiO₃ single‐crystal substrate and the resultant self‐polarization behavior due to strain relaxation was investigated. The lattice mismatch and difference in TEC between the KNMN thin film and the Nb:SrTiO₃ substrate creates a compressive strain. The compressive strain gradient may be the main cause for the observed downward self‐polarization. The downward self‐polarization of the KNMN thin film can be explained by the strong inhomogeneous compressive strain caused by strain relaxation. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

单轴应变对氮化铟电子结构及光学性质的影响

采用密度泛函理论框架下的第一性原理平面波赝势方法,计算单轴应变下闪锌矿氮化铟的电子结构及光学性质.结果表明：施加应变会使带隙变窄.对于拉应变,随着应变增大带隙减小程度增大;对于压应变,随应变增大带隙减小程度减弱;且拉、压应变对带隙调控都是线性的.在能量区间4 eV~12 eV范围内施加应变时,氮化铟的吸收光谱发生红移,随拉应变程度增加,吸收光谱的红移进一步加大;随压应变增加,吸收光谱红移减弱;在该范围内,氮化铟的折射率、反射率随拉应变的增大而增加,随压应变增加减小;施加拉应变时能量损失函数峰值增大,施加压应变后能量损失函数峰值减小.通过施加单轴应变能有效调节氮化铟材料的电结构及光学性质.     

新型Gd基T2造影剂的制备和应用

设计并合成了结构为TPP-Lys（Acp-DOTA-Gd）-COOH（简称Gd-DOTA-TPP）的小分子磁共振探针,通过电转染的方式用探针标记人源脐带间充质干细胞（hMSCs）.11.7 T磁共振成像（MRI）扫描结果表明,Gd-DOTA-TPP标记的hMSCs在细胞内Gd含量为9×10⁹ Gd/cell时,T₂加权信号强度即可低至背景信号强度,呈现较强暗信号.将Gd-DOTA-TPP标记的hMSCs移植入小鼠脑室,可明显提高移植干细胞在MRI设备上的检测灵敏度,检测限可低至10³个细胞.     

A nonlinear planar beam formulation with stretch and shear deformations under end forces and moments

A new nonlinear planar beam formulation with stretch and shear deformations is developed in this work to study equilibria of a beam under arbitrary end forces and moments. The slope angle and stretch strain of the centroid line, and shear strain of cross-sections, are chosen as dependent variables in this formulation, and end forces and moments can be either prescribed or resultant forces and moments due to constraints. Static equations of equilibria are derived from the principle of virtual work, which consist of one second-order ordinary differential equation and two algebraic equations. These equations are discretized using the finite difference method, and equilibria of the beam can be accurately calculated. For practical, geometrically nonlinear beam problems, stretch and shear strains are usually small, and a good approximate solution of the equations can be derived from the solution of the corresponding Euler–Bernoulli beam problem. The bending deformation of the beam is the only important one in a slender beam, and stretch and shear strains can be derived from it, which give a theoretical validation of the accuracy and applicability of the nonlinear Euler–Bernoulli beam formulation. Relations between end forces and moments and relative displacements of two ends of the beam can be easily calculated. This formulation is powerful in the study of buckling of beams with various boundary conditions under compression, and can be used to calculate post-buckling equilibria of beams. Higher-order buckling modes of a long slender beam that have complex configurations are also studied using this formulation.     

Balancing strength and toughness of calcium-silicate-hydrate via random nanovoids and particle inclusions: Atomistic modeling and statistical analysis

As the most widely used manufactured material on Earth, concrete poses serious societal and environmental concerns which call for innovative strategies to develop greener concrete with improved strength and toughness, properties that are exclusive in man-made materials. Herein, we focus on calcium silicate hydrate (C-S-H), the major binding phase of all Portland cement concretes, and study how engineering its nanovoids and portlandite particle inclusions can impart a balance of strength, toughness and stiffness. By performing an extensive +600 molecular dynamics simulations coupled with statistical analysis tools, our results provide new evidence of ductile fracture mechanisms in C-S-H – reminiscent of crystalline alloys and ductile metals – decoding the interplay between the crack growth, nanovoid/particle inclusions, and stoichiometry, which dictates the crystalline versus amorphous nature of the underlying matrix. We found that introduction of voids and portlandite particles can significantly increase toughness and ductility, specially in C-S-H with more amorphous matrices, mainly owing to competing mechanisms of crack deflection, voids coalescence, internal necking, accommodation, and geometry alteration of individual voids/particles, which together regulate toughness versus strength. Furthermore, utilizing a comprehensive global sensitivity analysis on random configuration-property relations, we show that the mean diameter of voids/particles is the most critical statistical parameter influencing the mechanical properties of C-S-H, irrespective of stoichiometry or crystalline or amorphous nature of the matrix. This study provides new fundamental insights, design guidelines, and de novo strategies to turn the brittle C-S-H into a ductile material, impacting modern engineering of strong and tough concrete infrastructures and potentially other complex brittle materials.