Tritium planigraphy as a tool for studying the structural organization nanobiocomplexes

The tritium planigraphy method is based on the nonselective substitution of radioactive isotope tritium for hydrogen in hydrocarbon fragments of molecules by means of a chemical reaction involving hot tritium atoms. Data on the steric accessibility of the system components (macromolecules in the complex, amino acid residues, and even individual atomic groups of macromolecules) characterize the structure of the object. The method, applicable to substances in different phase states, has no restrictions on the molecular weight of the target. Tritium planigraphy, used equally successfully in both crystals and solutions, makes it possible to study fine changes in the structure. The main results of studies of the structure of nanosized biocompexes by tritium planigraphy are presented.     

CFETR氦冷固态增殖包层多物理场氚输运分析

针对中国聚变工程实验堆(CFETR)外中平面氦冷固态增殖包层模块,开展了包层热、流、氚的多物理场耦合模拟分析,获得包层模块的氚分布、氚滞留量及氚渗透量。分析结果显示,在包层球床区无因吹洗气体流动滞缓而造成的氚滞留现象,其吹洗气体流道设计合理。同时,开展了入口吹洗气体掺氢量的参数敏感性分析。分析显示吹洗气体掺氢可以降低材料表面氚浓度,从而降低结构材料中的氚浓度梯度,抑制氚渗透;入口氢气浓度从 1ppm 增加到 1000ppm 时,氚渗透量降低为 1/20。     

Small-angle neutron scattering study of structural evolution of different phases in protein solution

Small-angle neutron scattering (SANS) has been used to study the structural evolution of different phases in protein solution leading to crystallization, denaturation and gelation. The protein solution under crystallization mostly consists of monomers and dimers, and higher-mers are not observed as they are perhaps formed in very small numbers. The onset and the rate of crystallization strongly depend on the salt concentration. Protein denaturation on addition of surfactant occurs due to the formation of micelle-like clusters along the unfolded polypeptide chains of the protein. The structure of such protein-surfactant complex is found to be independent of the size of the micelles in their pure surfactant solutions. The structure of temperature-induced protein gels shows a fractal structure. Rheology of these gels shows a strong dependence on varying pH or protein concentration, whereas the structure of such gels is found to be similar.      

球环型产氚聚变堆中子学分析

对球环型产氚聚变堆概念设计中的中子学设计进行了计算分析。此设计利用了球形环的先进等离子体物理性能和紧凑的结构特征,并尽量利用真空室内的空间安置氚生产包层以减少氚泄漏而提高氚增殖率,达到年产氚量1kg的目标。2D中子学计算得到的氚增殖率高于1．68的设计是其它类似设计没有达到的,进一步体现出球环型产氚聚变堆的先进性。     

Tritium Burn-up Depth and Tritium Break-Even Time

Similarly to but quite different from the xenon poisoning effects resulting from fission-produced iodine during the restart-up process of a fission reactor, we introduce a completely new concept of the tritium burn-up depth and tritium break-even time in the fusion energy research area. To show what the least required amount of tritium storage is used to start up a fusion reactor and how long a time the fusion reactor needs to be operated for achieving the tritium break-even during the initial start-up phase due to the finite tritium breeding time that is dependent on the tritium breeder, specific structure of breeding zone, layout of coolant flow pipe, tritium recovery scheme, extraction process, the tritium retention of reactor components, unrecoverable tritium fraction in breeder, leakage to the inertial gas container, and the natural decay etc., we describe this new phenomenon and answer this problem by setting up and by solving a set of equations, which express a dynamic subsystem model of the tritium inventory evolution in a fusion experimental breeder （FEB）. It is found that the tritium burn-up depth is 317g and the tritium break-even time is approximately 240 full power days for FEB designed detail configuration and it is also found that after one-year operation, the tritium storage reaches 1.18kg that is more than the least required amount of tritium storage to start up three of FEB-like fusion reactors.     

ITER气体注入系统含氚管道的等效漏率评估

氚的泄漏会对公众安全和环境造成危害,有必要对含氚管道的泄漏进行分析。对ITER气体注入系统的含氚管道进行分析,对触发系统氚报警阈值(3×10⁵Bq·m^-3/环境安全值,1×10⁸Bq·m^-3/系统安全值)时,氚送气管、离子源管以及中性化管泄漏的等效空气漏率进行了计算。结果表明,氚送气管泄漏的风险最高。虽然氚送气管的气体压力低于包容管的夹层压力,但由于管道的氚浓度高,漏率大于3.2×10^-8 Pa·m³·s^-1时会触发报警。而在离子源管中虽然氚浓度低,但管道的气体压力远高于包容管的夹层压力,漏率大于6.1×10^-6 Pa·m³·s^-1时会触发氚报警。气体注入系统含氚管道泄漏的氚危害不可忽视,必须进行实时监测和防护。     

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基于ITERCHHCSBTBM的设计特点,设计了相关的氚工艺辅助系统。描述了氚提取系统(TES)、冷却剂纯化系统(CPS)、氚测量系统(TMS)的功能、设计参数和工艺流程等。TES用于氚提取、储存、同位素的分离;CPS实现氧氮等杂质和氚的去除及冷却剂的定量处理和分析等功能;TMS不仅可以定量分析氚含量,而且必要时可替代TES。氚渗透及氚安全的分析表明,通过CHHCSBTBM以及辅助系统向环境释放的氚可控制在ITER的氚安全限度内。     

以液体核磁共振波谱分析与帕金森氏病相关的I93M 突变对人类泛素碳端水解酶结构的影响

人类泛素碳端水解酶（UCH-L1）是涉及帕金森氏病并且在神经元高度表达的蛋白．UCH-L1 的家族性突变与转译后修饰会引起聚集倾向增加与去泛素活性损失,这二者都可能成为致病因素．作者所在实验室之前的研究指出与帕金森氏病相关的突变I93M 显著降低UCH-L1 的折叠稳定性并且加速其构型展开动力学．该研究使用液体核磁共振分析方法,包括侧链甲基化学位移,松弛骨干动力学和残余偶极耦合,以进一步阐明I93M 突变如何影响UCH-L1 的结构和动态．结果显示I93M 显著影响突变位点周围的疏水核心侧链构型．然而,这样的结构扰动并不会影响在纳秒时间尺度的快速骨干动力学．透过残余偶极耦合分析显示UCH-L1 在水溶液中的结构与之前报道的晶体结构有相当显著的偏离,另外I93M 突变也导致超出突变位点的远距离结构扰动．这一系列水溶液结构的分析结果可补充之前已知的晶体学数据,并对UCH-L1 在帕金森氏病相关的基因突变影响并提供详细的见解．     

Luminescence and anisotropy decays ofN-3-pyrene maleimide labeling IgG proteins and cells

The Py.M (N-3-Pyrene Maleimide) is a dye that covalently binds to reactive amino or sulfhycryl groups to give highly fluorescent protein conjugates. Measurements of luminescence lifetimes and anisotropy decays have been performed with a Phase and Modulation Fluorometer. Complexes of Py.M-antibody (IgG antimouse) and tumoral cells C6 labeled with Py.M have been investigated. The Py.M fluorescence in buffer solution and the protein and cells natural fluorescence have been checked. For Py.M-IgG and labeled cells, the fluorescence decays present interesting behaviours. The least-squares analysis of the experimental results on Py.M-IgG complex points out two lorentzian distributions centered at 74 ns and 11 ns, on the contrary, for the labeled cells, a discrete component at 100 ns and a lorentzian distribution centered at 5 ns are shown. In both systems a weak component lower than 1 ns is observed. The fluorescence decays, mainly the long lifetime one, are very sensitive to oxygen quenching, showing the high efficiency of O₂ quenching. For samples N₂ bubbled, the lifetime experimental resuits show a decrease of the oxygen accessibility from free probe in solution to Py.M-IgG complex and to labeled cells, compatible with a more compact packing of the probe binding site. The experimental results of anisotropy decays of degassed samples show for Py.M-IgG complexes a long rotation correlation time of about 200 ns at T=5°C, assigned to overall rotation of the protein, besides shorter correlation times attributable to inner protein motions. For labeled cells, the long rotation correlation time becomes of the order of 580 ns confirming a progressive increase of the stabilization of the binding site.     

聚变示范堆气体注入系统氚渗透分析

以中国聚变工程实验堆(CFETR)的堆芯参数为例, 参照ITER 的相关工程设计,对聚变示范堆(DEMO) 气体注入系统(GIS)作出了初步的管道布局考虑。基于此布局,计算了稳态运行下GIS 含氚管道气流压降,对燃料储存与输运系统的泵压头提出了要求,得出相应泵压头下GIS 的氚渗透量。计算结果表明,重力势是管道气流压降的主要原因,在负压情况下,GIS 的氚渗透对整体氚循环的影响不大。这为研究DEMO 的氚自持问题提供了相关参数,为GIS歧管布局的进一步优化奠定了基础。     

一般边界条件下球形压力容器钢壁中氚和氦-3的浓度变化规律研究

为了认识储氚高压容器壁材料的力学性能变化及其导致的容器承载能力变化, 必须研究储氚期间, 容器壁中氚和氦-3浓度的空间分布和随时间的变化. 针对容器外表面为一般传质边界条件和容器内部氚为范德瓦尔斯气体的情况, 同时考虑容器腔内和容器壁中氚的衰变和扩散, 建立求解储氚高压容器壁中氚和氦-3浓度的解析理论模型, 导出了氚和氦-3浓度的理论公式. 通过解析计算给出了器壁中氚和氦-3浓度随外表面传质系数的变化曲线和浓度的时空变化曲线, 提出了氦-3浓度的2β ₁ + β ₂ / 2倍定律, 即处于开放空间的储氚球形高压容器, 器壁中氦-3的浓度呈内高外低的分布, 时间越长, 浓度沿径向的梯度越大, 在时间足够长时, 各处浓度逼近时间无限长时的最终值, 也就是各处的最大值, 内表面处的最大值是该处氚初始时刻浓度的2β ₁ + β ₂ / 2倍, 这里β ₁ 和β ₂ 为与氚的范德瓦尔斯常数相关的参数. 研究结果为储氚高压容器的强度安全性评估提供了前提.     

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In the present work, tritium permeation issue of gas injection system (GIS) in DEMO were focused. Based on the reactor core parameters of Chian Fusion Engineering Test Reactor (CFETR) and referring to accumulated experience of GIS design in ITER, preliminary pipes layout of DEMO GIS was performed. Steady-state tritium gas pressure drop calculation along the pipes and pump head request to the fuel storage and delivery system were made on the basis of the GIS’s structure layout. Tritium permeation under corresponding pump head was calculated at the same time. According to the calculation results, gravitational potential is the main determinant to pressure drop in pipe flow and the tritium permeation in GIS is of little amount to the whole tritium cycle in the case negative pressure. So this work offers related parameters to tritium self-sufficiency issues in DEMO, and also lays the foundation for further optimization of GIS’s structure layout.     

Structural modeling of proteins by integrating small-angle x-ray scattering data

Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an "integrative structural biology" approach has been proposed, which aims to determine the protein structure and characterize protein flexibility by combining complementary high- and lowresolution experimental data using computer simulations. Small-angle x-ray scattering(SAXS) is an efficient technique that can yield low-resolution structural information, including protein size and shape. Here, we review computational methods that integrate SAXS with other experimental datasets for structural modeling. Finally, we provide a case study of determination of the structure of a protein complex formed between the tandem SH3 domains in c-Cb1-associated protein and the proline-rich loop in human vinculin.     

Pd-Ag膜电解浓缩氚的动力学模型及理论计算

建立了模拟Pd-Ag合金膜电解浓缩氚的过程和诸多电解参数的动力学模型。采用求解数学扩散方程的方法得到理论值,并与文献报道的实验数据进行比较。计算结果表明：氚在Pd-Ag膜上的吸附、解吸、浓缩等行为受到诸多条件的制约。在保证密封性能的前提下,对Pd-Ag膜电解槽体的要求是至少应包括有含氚水路循环、阳极气体消除和阴极扩散后氚再生3个组成部分,采取相匹配的级联技术可以提高分离效果;对电解参数的要求是采取尽可能高的电解液温度和稳定的OH^-浓度,合适的电流密度,合理的膜厚度、表面特征和Pd黑结合紧密。     

Quantitative imaging of single, unstained viruses with coherent x rays

We report the recording and reconstruction of x-ray diffraction patterns from single, unstained viruses, for the first time. By separating the diffraction pattern of the virus particles from that of their surroundings, we performed quantitative and high-contrast imaging of a single virion. The structure of the viral capsid inside a virion was visualized. This work opens the door for quantitative x-ray imaging of a broad range of specimens from protein machineries and viruses to cellular organelles. Moreover, our experiment is directly transferable to the use of x-ray free electron lasers, and represents an experimental milestone towards the x-ray imaging of large protein complexes.     

球环型氚生产聚变堆概念设计

先进的球环型氚生产聚变堆是聚变能发展的中间应用产物。与传统托卡马克氚生产堆不同，在设计中利用了球形环的先进等离子体物理性能，并具有紧凑的结构特征，尽量利用真空室内的空间安置氚生产包层以减少氚泄露而增加氚增殖率，达到年生产富余氚lkg的目的，相应的堆利用因子为40％。在二维中子学计算的基础上，提出了ST-TPR的初步概念设计．为下一步更详细具体的概念设计提供了直接的依据和重要的参考价值。     

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In part one published in the last issue, the tritium retention and the total tritium inventory in PFC materials of FEB-E fusion reactor had been calculated. The tritium well depth, tritium well time during the FEB-E fusion reactor start-up and initial operation phase had been obtained. In this part, how to improve tritium recovery efficiency in the ITER TBM solid breeder blanket with using purge gas has been discussed. Some new innovative schemes for reducing tritium retention and improving tritium recovery efficiency are proposed. Such as, sponge mechanism based on deuterium saturated PFC materials; deuterium and beryllium co-deposition layer created on first wall surface; SPB scheme for enhancing tritium recovery efficiency of purge gas in ceramic breeder blanket based on the electrical polarization rotations catalyzing isotope exchange rate enhancement resulted from applied low frequency electric-field, of Li4SiO4 grain and purge gas molecular particles and so on, are explored.     

聚变堆氚系统设计中的一些重要问题研究(Ⅱ)

在文献[1]中,计算了FEB-E 聚变堆PFC 材料内的氚滞留量、堆系统总的氚投料量、启动运行开始阶段的氚坑深度和氚坑时间大小。这里将讨论在ITER 的TBM 氚增殖包层内固体氚增殖剂中的氚如何高效率地被载氚气体带出并且以高效率地提取回收。本部分将进行创新的探索性研究并且提出某些减少氚滞留量和改善氚提取回收效率的新方案,例如：基于氘饱和的海绵效应;第一壁表面建立氘和铍的伴同沉积层;基于在低频外电场作用下载氚气分子和硅酸锂颗粒电极化旋转催化同位素交换速率的增强载氚气提取氚效率“SPB 方法”。     

Z箍缩驱动聚变-裂变混合堆氚燃料循环系统氚盘存量与氚自持初步分析

为研究氚自持条件,建立了Z-FFR氚分析模型,基于理论方程和氚平均滞留时间方法进行计算,得到稳态运行时排灰气处理系统、氚增殖提取系统、同位素分离系统、水去氚化系统的氚质量流分别为52.30,25.40,81.30,3.60 g/day,对应的氚盘存量为52.30,25.40,8.13,1.80 g。同时以氚质量流推导出氚自持判断条件,分析了设计参数能够满足氚自持要求,同时获得了燃烧效率、氚增殖率、提取效率与氚自持的互补关系,三者作为关键参数相互依存,于临界值、设计值、理想值之间分析了氚的自持情况。     

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聚变堆第一壁表面和PFC材料内的氚滞留量、堆系统总的氚投料量多高？在启动和运行的开始阶段的氚坑深度,氚坑时间的大小是多少？在TBM氚增殖包层内固体氚增殖剂中的氚能否高效率地被载氚气体带出来并且以高效率地提取回收？能否找到某些新机制解决这些问题是决定实现ITER的预期目标和最终实现聚变能的实际运用成败的关键问题。本文第(Ⅰ)部分回答前面两个问题,在下期第(Ⅱ)部分将进行创新的探索性研究并且提出某些减少氚滞留量和改善氚提取回收效率的新方案,例如：基于氘饱和的海绵效应;第一壁表面建立氘和铍的伴同沉积层;基于在低频外电场作用下载氚气分子和硅酸锂颗粒电极化旋转催化同位素交换速率增强提高载氚气提取氚效率“SPB方法”等等。