Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

制导炸弹半实物仿真系统误差对仿真结果的影响

在制导炸弹半实物仿真试验中经常发现,同一发制导炸弹多次仿真的俯仰角差别较大,同一批次制导炸弹投弹试验的遥测俯仰角与仿真俯仰角差别也较大,但是俯仰角的收敛趋势均一致,实测脱靶量与仿真脱靶量都合格,且具有一致性。为了分析出现上述现象的原因,基于协方差分析描述函数法(CADFT),建立了制导炸弹半实物仿真系统的误差传播理论,计算了仿真姿态角和姿态角速度的误差。分析了仿真姿态角和姿态角速度的误差对仿真结果的影响。结果表明,在仿真系统各种误差中,气动力和气动力矩误差是主要误差,是引起仿真俯仰角差别的重要原因; 姿态角的动态验模方法不适用于制导炸弹仿真模型,而脱靶量的静态验模方法适用于制导炸弹仿真模型。     

Modified embedded-atom method interatomic potential for the Mg–Zn–Ca ternary system

Mg–Zn–Ca alloys are representative Mg alloys with high formability at room temperature. Their high formability is thought to be related to slip, twinning, and recrystallization of the alloys, but the detailed mechanisms have not yet been clarified. To enable atomistic simulations for investigating those behaviors, an interatomic potential for the Mg–Zn–Ca ternary system was developed. The development was based on the second nearest-neighbor modified embedded-atom method formalism, combining previously developed Mg–Zn and Mg–Ca potentials with the newly developed Zn–Ca binary potential. The Zn–Ca and Mg–Zn–Ca potentials reproduce structural, elastic, and thermodynamic properties of compounds and solution phases of relevant alloy systems in reasonable agreement with experimental data, first-principles and CALPHAD calculations. The applicability of the developed potentials is demonstrated through calculations of the effects of Zn and Ca solutes on the generalized stacking fault energy for various slip systems, segregation energy on twin boundaries, and volumetric misfit strain.     

测试(试井)成果影响因素浅析

随着测试技术的发展、测试质量及资料解释水平的提高，测试（试井）成果的可靠程度越来越受到重视。影响解释成果的环节和因素很多，从客观和主观两方面分析其主要因素，找出症结所在，从而完善现场环节，完善资料解释过程，提高测试技术及解释水平。     

测井资料在优选压裂层位中的应用

压裂是低孔、低渗油层改造的主要增产措施。根据常规测井资料、岩石物理实验分析数据及试油成果。研究储层四性关系，确定区块的低孔、低渗储层评价标准。进一步对油层进行分类，有针对性地为油层压裂提供施工层位和准确的储层参数。通过商543区块实例，阐述了选择压裂层位的方法。     

动态评价技术在塔河碳酸盐岩缝洞型油气藏中的应用

塔河油田奥陶系油气藏是大型碳酸盐岩溶洞型油气藏，其储渗空间主要为大小不同的溶洞、裂缝带、溶蚀孔隙等组成，该油气藏具有极强的非均质性，单纯用静态资料来认识这类油气藏是非常困难。文章提出利用生产动态资料和信息进行该类型油气藏研究的新思路，利用人工神经网络技术在处理非线性相关参数预测方面的优势，并以渗流理论为基础，结合试井成果，选用已知油井的产量、油嘴、油压、含水率、气油比、原油密度等6个开发动态参数作为样品输入数据，推导出影响油气藏开发的重要参数（地层系数）与生产信息的关系，建立了人工神经网络预测储层参数的结构模型。通过塔里木盆地塔河油气田实例研究，说明了利用动态信息评价油气藏技术在碳酸盐岩缝洞型油气藏储层预测和非均质性分析等方面具有较高的实用价值。     

离心泵并联运行工况点的数值求解

建立了求解多台不同型号离心泵并联运行工况点的数学模型,给出了用数值计算中的“二分法”求解该模型的方法,并附有用Exce l计算的实例。     

双河油田注入水适应性及注水井酸化解堵研究

考察了双河油田双河联、江河联注入水堵塞地层的因素;膨胀性黏土，悬浮固体颗粒。细菌及悬浮污油。含膨胀性黏土的双河南、双河北及不含膨胀性黏土的双江岩心粉，在注入水中相对于地层水中的体积膨胀度分别为14．5％、11．1％及0．02％；注入100PV不含悬浮颗粒的等体积比地层水、注入水混合水使双河、双江岩心渗透率分别下降7％和4％、9％和7％。注入水中悬浮颗粒引起岩心渗透率下降，粒径越大、颗粒浓度越大、注入量越大，则渗透率越低。在粒径2．1μm或颗粒浓度3mg／L前后下降幅度变化较大。注入水中硫酸盐还原菌引起岩心渗透率下降，含菌量越大则渗透率开始下降时的注水量越小，注入含菌50个／L的水100PV使岩心渗透率下降7％。岩心对注水合油量敏感，注入含油量20mg／L的水50PV使岩心渗透率下降20％。在岩心注水实验中渗透率下降最严重的是双河南岩心，其次是双河北岩心．江河岩心较轻，注入精细过滤水的双河北岩心渗透率下降大大减少．说明悬浮固体是造成注水堵塞的主要因素。为了解除双河油田注水井的堵塞，研制了含黏土稳定剂、缓蚀剂、铁离子稳定剂、互溶剂的土酸液，与南阳油田使用的低伤害酸液一起，用于1口注水井的解堵，效果良好。图7表4参5。