Fold and flexibility: what can proteins' mechanical properties tell us about their folding nucleus?

The determination of a protein''s folding nucleus, i.e. a set of native contacts playing an important role during its folding process, remains an elusive yet essential problem in biochemistry. In this work, we investigate the mechanical properties of 70 protein structures belonging to 14 protein families presenting various folds using coarse-grain Brownian dynamics simulations. The resulting rigidity profiles combined with multiple sequence alignments show that a limited set of rigid residues, which we call the consensus nucleus, occupy conserved positions along the protein sequence. These residues'' side chains form a tight interaction network within the protein''s core, thus making our consensus nuclei potential folding nuclei. A review of experimental and theoretical literature shows that most (above 80%) of these residues were indeed identified as folding nucleus member in earlier studies.     

AHMED experiments on hygroscopic and inert aerosol behaviour in LWR containment conditions: experimental results

Hygroscopic NaOH, CsI, CsOH and inert Ag aerosol behaviour at different temperatures and relative humidities (RH) has been studied in a well instrumented and controlled vessel of 1.81 m³ total free volume. Homogeneous thermal-hydraulic conditions for aerosol measurement in the vessel were achieved. The aerosol number and mass concentration were measured continuously during the experiments using a Condensation Nucleus Counter and a Tapered Element Oscillating Microbalance. The particle size distribution and chemical composition in the test conditions were measured by Berner low pressure impactors. In the case of NaOH the half life of the aerosol mass concentration was more than four times longer at low RH (22%) as compared to high RH (96%). The half lives of the CsOH and CsI aerosols were only twice as long at low RH as compared to high RH. Thus at high RH (96–97%) the half lives of CsOH and CsI were twice as long as the half life for the NaOH aerosol. The faster decay of the NaOH aerosol is due to the smaller density decrease of NaOH during water condensation. CsOH particles grew rapidly to their equilibrium size at all humidities. The measured equilibrium size for CsOH aerosol agree well with the calculated particle size at different RHs. Experimental results were also compared with calculations obtained by severe accident computer codes. These calculated results will be presented in a later paper.     

Analysis of supersaturation and nucleation in a moving solution droplet with flowing supercritical carbon dioxide

A supercritical antisolvent (SAS) process is employed for production of solid nanoparticles from atomized droplets of dilute solution in a flowing supercritical carbon dioxide (SC CO₂) stream by attaining extremely high, very rapid, and uniform supersaturation. This is facilitated by a two‐way mass transfer of CO₂ and solvent, to and from the droplet respectively, rendering rapid reduction in equilibrium solubility of the solid solute in the ternary solution. The present work analyses the degree of supersaturation and nucleation kinetics in a single droplet of cholesterol solution in acetone during its flight in a flowing SC CO₂ stream. Both temperature and composition are assumed to be uniform within the droplet, and their variations with time are calculated by balancing the heat and mass transfer fluxes to and from the droplet. The equilibrium solubility of cholesterol with CO₂ dissolution has been predicted as being directly proportional to the Partial Molar Volume Fraction (PMVF) of acetone in the binary (CO₂–acetone) system. The degree of supersaturation has been simulated up to the time required to attain almost zero cholesterol solubility in the droplet for evaluating the rate of nucleation and the size of the stable critical nuclei formed. The effects of process parameters have been analysed in the pressure range of 7.1–35.0 MPa, temperature range of 313–333 K, SC CO₂ flow rate of 0.1136–1.136 mol s^?1, the ratio of the volumetric flow rates of CO₂‐to‐solution in the range of 100–1000, and the initial mole fraction of cholesterol in acetone solution in the range of 0.0025–0.010. The results confirm an extremely high and rapid increase in degree of supersaturation, very high nucleation rates and stable critical nucleus diameter of the order of a nanometre. Copyright © 2005 Society of Chemical Industry     

诱导结晶条件下硅酸盐水泥熟料形成动力学的研究

根据诱导结晶的原理，我们提出了用已烧好的同类优质熟料作为晶种，诱导水泥烧成过程中的矿物形成。用掺与不掺对比的方法，利用现代物理、化学手段进行了研究。结果表明：明显提高了生料的易烧性；使ｆ－ＣａＯ明显下降；水泥熟料形成的活化能降低；刚分解的ＣａＯ在晶种表面富集；加快了各个阶段的固相反应；加快了熟料矿物形民；熟料矿物质量有所提高；并使ｆ－ＣａＯ的结构特征上发生了易于消解的变化。     

对Al-Cu合金中α-Al及Al2Cu生长行为的探讨

研究了Al-Cu合金中α-Al和Al2Cu的生长行为,分析了初生α-Al及初生Al2Cu作为共晶核心形核的能力.结果发现,在过共晶组织中,初生相Al2Cu形貌大部分有明显的拐角,观察其平面有的呈矩形,呈现小面生长特性.而α-Al与Al2Cu共晶生长时,Al2Cu择优生长特征削弱,与α-Al耦合生长呈现非小面-非小面生长,表明Al2Cu在不同的生长阶段表现出的生长行为不同.在亚共晶组织中,初生相α-Al周围形成离异共晶的Al2Cu,而过共晶组织中初生相Al2Cu周围没有离异共晶的α-Al,表明初生相Al2Cu作为共晶层片核心的能力比初生相α-Al作为共晶层片核心的能力强.     

耐磨锰钢中共晶体的球化

对Ｃａ变质处理的奥氏体－贝氏体耐磨锰钢进行了热力学二维点阵错配度计算，采用ＴＥＭ和ＳＥＭ观察及电子探针分析，发现ＣａＳ可以作为共晶体（奥氏体－渗碳体）的异质核心而使共晶体球化．     

嵌入式操作系统Nucleus的移植研究

嵌入式系统作为计算机应用的一个崭新领域,以其简洁、高效等优点越来越多地受到人们的关注,而要开发一个嵌入式应用系统,则需要嵌入式硬件、嵌入式操作系统及相应的开发工具等。其中嵌入式操作系统是嵌入式应用系统中的基础部分,占有十分重要的地位,针对不同硬件平台。往往要进行嵌入式操作系统的移植。Nucleus是一种典型的嵌入式操作系统,具有体积小、功能强大、易于定制等特点,通过对Nucleus系统结构特点的分析,在基于SEP4020微处理器的评估板上,详细地论述了将嵌入式Nucleus操作系统移植到具体硬件平台上需要完成的工作。     

基于肿瘤细胞断层图像轮廓的三维极坐标插值方法

利用“细胞CT”——激光扫描共聚焦显微镜可以获得肿瘤细胞三维断层图像,实现肿瘤细胞三维可视化,具有重要临床及科研意义。本文提出了一种针对细胞断层图像轮廓的三维极坐标插值方法,以图形形态学中心为极坐标原点,将轮廓点转换为极坐标表示。按极角采样获得离散轮廓点数据,综合多层轮廓信息,依照表面轮廓变化趋势,进行均匀三次B样条拟合完成插值。并针对肿瘤细胞核常见的分支核结构,利用曲率角点检测和数学形态学相结合的方法实现轮廓分割,并采用基于阈值半径的轮廓匹配方法实现分支轮廓对应,继而实现细胞分支核插值。结果显示,本方法可实现细胞及细胞核的三维插值,插值后轮廓表面三维重建表现出良好的曲面光滑性和连续性。极坐标插值数据可为细胞三维形态结构测量提供便利。