Interaction of rat testis protein, TP, with nucleosome core particle

Circular dichroism studies have revealed that addition of testis specific protein, TP in vitro, to rat testes nucleosome core particle resulted in a decrease in the compaction of the core particle DNA. This was also corroborated by thermal denaturation analysis. Addition of TP to nucleosome core particle resulted in the conversion of a biphasic transition towards a single phase. However, at the same time there was a 20% reduction in the overall hyperchromicity of core particle DNA at core particle to TP molar ratios of 1:2 and 1:3. These observations along with our earlier report, showing the DNA melting properties of TP, suggest that TP may play an important role in the disassembly process of nucleosome core particle during spermiogenesis.

Hot deformation and microstructural evolution in an alpha(2)/O titanium aluminide alloy Ti-25Al-15Nb

Deformation processing and microstructural development of an alpha(2)/O aluminide alloy Ti-25Al-15Nb (at.%) was studied in the temperature range of 950 to 1200 degrees C and strain rate range of 10(-3) to 100 s(-1). Regions of processing and instability were identified using dynamic materials model. Dynamic recrystallization (DRX) of alpha(2)/O phase and p phase were seen to occur in the region of 950 to 1050 degrees C/0.001 to 0.05 s(-1) and 1125 to 1175 degrees C/0.001 to 0.1 s(-1), respectively. Unstable flow was seen to occur in the region of 1050 to 1190 degrees C/10 to 100 s(-1). Thermal activation analysis showed that DRX of alpha(2)/O and beta was controlled by cross-slip.

Triclabendazole: An Intriguing Case of Co-existence of Conformational and Tautomeric Polymorphism

The crystal polymorphism of the anthelmintic drug, triclabendazole (TCB), is described. Two anhydrates (Forms I and II), three solvates, and an amorphous form have been previously mentioned. This study reports the crystal structures of Forms I (1) and II (2). These structures illustrate the uncommon phenomenon of tautomeric polymorphism. TCB exists as two tautomers A and B. Form I (Z'=2) is composed of two molecules of tautomer A while Form II (Z'=1) contains a 1:1 mixture of A and B. The polymorphs are also characterized by using other solid-state techniques (differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), PXRD, FT-IR, and NMR spectroscopy). Form I is the higher melting form (m.p.: 177 degrees C, Delta Hf=approximate to 105 +/- 4 Jg-1) and is the more stable form at room temperature. Form II is the lower melting polymorph (m.p.: 166 degrees C, Delta Hf=approximate to 86 +/- 3 Jg-1) and shows high kinetic stability on storage in comparison to the amorphous form but it transforms readily into Form I in a solution-mediated process. Crystal structure analysis of co-crystals 3-11 further confirms the existence of tautomeric polymorphism in TCB. In 3 and 11, tautomer A is present whereas in 4-10 the TCB molecule exists wholly as tautomer B. The DFT calculations suggest that the optimized tautomers A and B have nearly the same energies. Single point energy calculations reveal that tautomer A (in Form I) exists in two low-energy conformations, whereas in Form II both tautomers A and B exist in an unfavorable high-energy conformation, stabilized by a five-point dimer synthon. The structural and thermodynamic features of 1-11 are discussed in detail. Triclabendazole is an intriguing case in which tautomeric and conformational variations co-exist in the polymorphs.

Solution processable quinoxaline based molecular materials for organic field effect transistors

Three new solution processable quinoxaline based donor-acceptor-donor (D-A-D) type molecules have been synthesized for application in field effect transistors. These molecules were characterized by UV-visible spectroscopy, thermal gravimetric analysis, differential scanning calorimetry and cyclic voltammetry. DFT calculation gives deeper insight into the electronic structure of these molecules. The crystallinity and morphology features of thin film were investigated using X-ray diffraction. These molecules show liquid crystalline phase confirmed by DSC and optical polarizing microscopy. Investigation of their field effect transistor performance indicated that these molecules exhibited p-type mobility up to 9.7 x 10 (4) cm(2) V (1) s (1) and on/off ratio of 10(4). (C) 2012 Elsevier B.V. All rights reserved.

Low temperature combustion synthesis and magnetostructural properties of Co-Mn nanoferrites

In the present work, Co1-xMnxFe2O4 nanoparticles were synthesized by the low-temperature auto-combustion method. The thermal decomposition process was investigated by means of differential and thermal gravimetric analysis (TG-DTA) that showed the precursor yield the final product above 450 degrees C. The phase purity and crystal lattice symmetry were estimated from X-ray diffraction (XRD). Microstructural features observed by scanning electron microscopy (SEM) demonstrates that the fine clustered particles were formed with an increase in average grain size with Mn2+ content. Fourier transform infrared spectroscopy (FTIR) study confirms the formation of spinel ferrite. Room temperature magnetization measurements showed that the magnetization M-s increases from 29 to 60 emu/g and H-c increases from 13 to 28 Oe with increase in Mn2+ content, which implies that these materials may be applicable for magnetic data storage and recording media. (C) 2013 Elsevier B.V. All rights reserved.

Temperature-Induced Reversible First-Order Single Crystal to Single Crystal Phase Transition in Boc-gamma(4)(R)Val-Val-OH: Interplay of Enthalpy and Entropy

Crystals of Boc-gamma y(4)(R)Val-Val-OH undergo a reversible first-order single crystal to single crystal phase transition at T-c approximate to 205 K from the orthorhombic space group P22(1)2(1) (Z' = 1) to the monoclinic space group P2(1) (Z' = 2) with a hysteresis of similar to 2.1 K. The low-temperature monoclinic form is best described as a nonmerohedral twin with similar to 50% contributions from its two components. The thermal behavior of the dipeptide crystals was characterized by differential scanning calorimetry experiments. Visual changes in birefringence of the sample during heating and cooling cycles on a hot-stage microscope with polarized light supported the phase transition. Variable-temperature unit cell check measurements from 300 to 100 K showed discontinuity in the volume and cell parameters near the transition temperature, supporting the first-order behavior. A detailed comparison of the room-temperature orthorhombic form with the low-temperature (100 K) monoclinic form revealed that the strong hydrogen-bonding motif is retained in both crystal systems, whereas the non-covalent interactions involving side chains of the dipeptide differ significantly, leading to a small change in molecular conformation in the monoclinic form as well as a small reorientation of the molecules along the ac plane. A rigid-body thermal motion analysis (translation, libration, screw; correlation of translation and libration) was performed to study the crystal entropy. The reversible nature of the phase transition is probably the result of an interplay between enthalpy and entropy: the low-temperature monoclinic form is enthalpically favored, whereas the room-temperature orthorhombic form is entropically favored.

Strontium eluting graphene hybrid nanoparticles augment osteogenesis in a 3D tissue scaffold

The objective of this work was to prepare hybrid nanoparticles of graphene sheets decorated with strontium metallic nanoparticles and demonstrate their advantages in bone tissue engineering. Strontium-decorated reduced graphene oxide (RGO_Sr) hybrid nanoparticles were synthesized by the facile reduction of graphene oxide and strontium nitrate. X-ray diffraction, transmission electron microscopy, and atomic force microscopy revealed that the hybrid particles were composed of RGO sheets decorated with 200-300 nm metallic strontium particles. Thermal gravimetric analysis further confirmed the composition of the hybrid particles as 22 wt% of strontium. Macroporous tissue scaffolds were prepared by incorporating RGO_Sr particles in poly(epsilon-caprolactone) (PCL). The PCL/RGO_Sr scaffolds were found to elute strontium ions in aqueous medium. Osteoblast proliferation and differentiation was significantly higher in the PCL scaffolds containing the RGO_Sr particles in contrast to neat PCL and PCL/RGO scaffolds. The increased biological activity can be attributed to the release of strontium ions from the hybrid nanoparticles. This study demonstrates that composites prepared using hybrid nanoparticles that elute strontium ions can be used to prepare multifunctional scaffolds with good mechanical and osteoinductive properties. These findings have important implications for designing the next generation of biomaterials for use in tissue regeneration.

Progress In Modeling Of Fluid Flows In Crystal Growth Processes

Modeling of fluid flows in crystal growth processes has become an important research area in theoretical and applied mechanics. Most crystal growth processes involve fluid flows, such as flows in the melt, solution or vapor. Theoretical modeling has played an important role in developing technologies used for growing semiconductor crystals for high performance electronic and optoelectronic devices. The application of devices requires large diameter crystals with a high degree of crystallographic perfection, low defect density and uniform dopant distribution. In this article, the flow models developed in modeling of the crystal growth processes such as Czochralski, ammonothermal and physical vapor transport methods are reviewed. In the Czochralski growth modeling, the flow models for thermocapillary flow, turbulent flow and MHD flow have been developed. In the ammonothermal growth modeling, the buoyancy and porous media flow models have been developed based on a single-domain and continuum approach for the composite fluid-porous layer systems. In the physical vapor transport growth modeling, the Stefan flow model has been proposed based on the flow-kinetics theory for the vapor growth. In addition, perspectives for future studies on crystal growth modeling are proposed. (c) 2008 National Natural Science Foundation of China and Chinese Academy of Sciences. Published by Elsevier Limited and Science in China Press. All rights reserved.

用改进的混合方法分析微电子封装热应变场

介绍一种可用于微电子封装局部应变场分析的实验/计算混合方法，该方法结合了有限元的整体/局部模型和实时的激光云纹干涉技术，利用激光云纹干涉技术所测得的应变场来校核有限元整体模型的计算结果，并用整体模型的结果作为局部模型的边界条件，对实验难以确定的封装结构局部位置的应力、应变场进行分析。用这种方法对可控坍塌倒装封装结构在热载荷作用下焊球内的应变场分布进行了分析，结果表明该方法能够提供封装结构内应力-应变场分布的准确和可靠的结果，为微电子封装的可靠性分析提供重要的依据。

激光熔凝加工中瞬时温度场及残余应力数值模拟

以激光熔凝表面强韧化处理为背景，应用空间弹塑性有限单元和高精度数值算法同时考虑材料组织性能的变潜模拟工件的温度场及残余应力，研究激光熔凝加工中瞬时温度场及残余应力数值模拟，同时考虑相变潜热及相变塑性的影响，用算例验证了模型的正确性，给出了不同时刻温度场分布及残余应力分布。

激光熔凝加工中瞬时温度场数值模拟

以激光熔凝表面强韧化处理为背景,应用空间弹塑性有限单元和高精度数值算法同时考虑材料组织性能的变化模拟工件的温度场,主要研究激光熔凝加工中瞬时温度场数值模拟,同时考虑相变潜热的影响,为第二步热应力场及残余应力的数值模拟做准备.用算例验证了模型的正确性,最后给出了激光熔凝加工不同时刻温度场分布.

Investigation on the Interaction of Laser Beam and Metal Powders Conveyed by Coaxial Powder Feeder

In order to investigate the transient thermal stress field in wall-shape metal part during laser direct forming, a FEM model basing on ANSYS is established, and its algorithm is also dealt with. Calculation results show that while the wall-shape metal part is being deposited, in X direction, the thermal stress in the top layer of the wall-shape metal part is tensile stress and in the inner of the wall-shape metal part is compressive stress. The reason causing above-mentioned thermal stress status in the wall-shape metal part is illustrated, and the influence of the time and the processing parameters on the thermal stress field in wall-shape metal part is also studied. The calculation results are consistent with experimental results in tendency.

大型干涉仪镜子的支承设计与温度变形分析

在星间激光通信中，涉及对大口径衍射极限激光波面的检测，为保证测量精度，必须严格控制波面十涉仪镜子的自重和温度变形。采用有限元方法对大型干涉仪镜子在不同支承方式下的表面变形进行了分析，结果表明，接触角为180°的钢带支承是较好的支承方式，反射镜表面变形峰-谷(P-V)值仅为1．35nm，均方根(RMS)值为0．363nm根据这一结论，设计了一个同定支承点与浮动支承相结合的超静定钢带支承结构。在该结构下，分析了镜子轴向、径向、周向的温度梯度效应，分析数据表明，镜子的热弹性变形远大于自重变形，建议采取一定的温控

激光二极管端面抽运Nd∶YVO4固体激光器热致光束畸变非对称的平衡

由于a轴切割Nd∶YVO4晶体的非对称性,使得激光二极管(LD)端面抽运Nd∶YVO4固体激光器不同于Nd∶YAG激光器,输出的激光经常产生非对称结果。用有限元法分析激光二极管端面抽运a轴切割Nd∶YVO4固体激光器的晶体热效应,包括温度分布、内部应力和产生的形变。分析结果表明端面抽运a轴切割Nd∶YVO4晶体产生了椭球热透镜效应。从结构方面和抽运方面提出了热透镜非对称性的平衡方法,实验验证了方法的可行性。

新型板条激光器的离轴混合腔模场计算

报道了一种新型双板条离轴混合腔激光器。这种激光器结构通过改变传统的冷却方式和采用特殊的谐振腔设计，将使从第一块介质板条高温一侧出射的激光对称地进入另一块板条的低温一侧，从而可对由于温度分布不均匀造成的波面畸变进行一定程度的自校正，减少热效应的影响，可望提高激光器的输出功率和光束质量。利用快速傅里叶变换（FFT）对这种激光器的近场、远场以及相位等模场特性进行了数值计算。分析了波面畸变对输出光束质量的影响，并与常规双板条激光器进行了比较，结果表明这种新型双板条离轴混合腔激光器可以实现一定程度的波面畸变自补偿，