Anisotropic formation mechanism and nanomechanics for the self-assembly process of cross-β peptides

Nanostructures self-assembled by cross-β peptides with ordered structures and advantageous mechanical properties have many potential applications in biomaterials and nanotechnologies. Quantifying the intra-and inter-molecular driving forces for peptide self-assembly at the atomistic level is essential for understanding the formation mechanism and nanomechanics of various morphologies of self-assembled peptides. We investigate the thermodynamics of the intra-and inter-sheet structure formations in the self-assembly process of cross-β peptide KIIIIK by means of steered molecular dynamics simulation combined with umbrella sampling. It is found that the mechanical properties of the intra-and inter-sheet structures are highly anisotropic with their intermolecular bond stiffness at the temperature of 300 K being 5.58 N/m and0.32 N/m, respectively. This mechanical anisotropy comes from the fact that the intra-sheet structure is stabilized by enthalpy but the inter-sheet structure is stabilized by entropy. Moreover, the formation process of KIIIIK intra-sheet structure is cooperatively driven by the van der Waals(VDW) interaction between the hydrophobic side chains and the electrostatic interaction between the hydrophilic backbones, but that of the inter-sheet structure is primarily driven by the VDW interaction between the hydrophobic side chains. Although only peptide KIIIIK is studied, the qualitative conclusions on the formation mechanism should also apply to other cross-β peptides.     

大尺寸优质TGG晶体的自动提拉法生长

采用液相法合成原料,通过自动提拉法在铱坩埚中成功地生长出直径为35 ～40 mm,长度为40 ～ 50 mm的大尺寸优质TGG晶体.该晶体外观笔直,内部光滑透明,没有螺旋纹,没有界面反转.经氦氖激光器检测证明该晶体具有无散射、无核心、不开裂的优点,经X射线粉末衍射证明晶体和底料均为TGG相,没有其它物相产生,且光学性能方面吸收值低,损伤阈值高.     

液相色谱-串联质谱结合谱库检索测定猪组织中的9种β-兴奋剂残留量

建立了猪组织中9种β-兴奋剂(克伦特罗、莱克多巴胺、沙丁胺醇、利托君、特布他林、班布特罗、妥布特罗、西马特罗和异舒普林)多残留的液相色谱-四极杆/线性离子阱串联质谱(QTrap LC-MS/MS)检测方法。样品经β-葡萄糖醛苷酶/芳基硫酸酯酶酶解提取,液液萃取净化,以乙腈-甲酸水溶液为流动相,经C18柱分离后用QTrap LC-MS/MS进行多反应监测(MRM)、信息相关采集(IDA)、增强子离子扫描(EPI)和谱库检索分析。9种β-兴奋剂的线性范围为0.1～50.0 μg/L,线性关系良好(r＞0.99);样品中9种目标物在0.5、1.0和5.0 μg/kg添加水平下的回收率为72.0%～95.1%,相对标准偏差为3.1%～12.1%;方法检出限为0.1～0.2 μg/kg。实际样品检测结果表明,本方法可实现猪组织样本中β-兴奋剂残留量的灵敏、准确的定性和定量分析。     

Hierarchical processes in β-sheet peptide self-assembly from the microscopic to the mesoscopic level

Under appropriate physicochemical conditions, short peptide fragments and their synthetic mimics have been shown to form elongated cross-β nanostructures through self-assembly. The self-assembly process and the resultant peptide nanostructures are not only related to neurodegenerative diseases but also provide inspiration for the development of novel bionanomaterials. Both experimental and theoretical studies on peptide self-assembly have shown that the self-assembly process spans multiple time and length scales and is hierarchical. β-sheet self-assembly consists of three sub-processes from the microscopic to the mesoscopic level: β-sheet locking, lateral stacking, and morphological transformation. Detailed atomistic simulation studies have provided insight into the early stages of peptide nanostructure formation and the interplay between different non-covalent interactions at the microscopic level. This review gives a brief introduction of the hierarchical peptide self-assembly process and focuses on the roles of various non-covalent interactions in the sub-processes based on recent simulation, experimental, and theoretical studies.     

边界元奇异与近奇异数值积分方法及其应用于大规模声学问题

提出了综合处理Burton-Miller方法所导致的奇异积分与近奇异积分问题的数值求积方法,以此改进了基于常量元素的常规边界元和低频快速多极边界元方法。对于奇异积分问题,利用Hadamard有限积分方法进行解决;对于近奇异积分问题,则采用极坐标变换法和PART方法(Projection and Angular&;Radial Transformation)进行克服。与解析解和LMS Virtual.Lab商业软件的结果比较验证了方法的正确性,并对比分析了奇异积分与近奇异积分对计算精度的影响。采用低频快速多极子方法以加速常规边界元法的计算效率,计算分析了计算复杂度,并成功实现了34万自由度大规模问题的计算。结果表明,近奇异积分问题主要由超奇异核函数引起,对计算精度的影响不容忽略;快速多极边界元法的精度与常规边界元法一致,但计算复杂度要远低于后者。      

光笔式双目视觉测量系统标定技术研究

针对光笔式双目视觉测量系统的标定问题,讨论了关于相机内参、双相机外参以及测量笔的相关标定理论,开发了一整套基于LabVIEW的标定系统。运用张氏平面标定法实现了相机内参标定。结合基于标准长度的外部参数标定方法,实现了双相机外参数标定。运用粒子群算法和LM算法相结合,加快了目标函数高维寻优速度。在测量笔标定环节,提出了一种基于最小二乘法的现场校准方法。标定系统完成了后期开展相关测量前的所有准备工作,具有较高的精度和实用性。在测量系统标定结果基础上对直径25 mm标准陶瓷球进行测量,测量结果标准差达到0.019 mm。     

水热老化对Cu改性的W/CeTi催化剂NH3-SCR性能的影响

采用浸渍法制备了CuW/CeTi和W/CuCeTi催化剂,考察了催化剂中Cu的不同作用方式对氨气选择性催化还原NO_x(NH₃-SCR)反应脱硝性能的影响。新鲜的CuW/CeTi和W/CuCeTi在低温下显示出优异的活性。经过800℃、10 h水热老化后,W/CuCeTi表现出比CuW/CeTi更优异的脱硝性能,证明W/CuCeTi具有更高的水热稳定性。通过透射电子显微镜(TEM)、X射线衍射(XRD)、拉曼光谱(Raman)、N₂物理吸附-脱附、X射线光电子能谱(XPS)、氨气程序升温脱附(NH₃-TPD)和氢气程序升温还原(H₂-TPR)表征,发现Cu的掺杂形成的Cu-O-Ce结构能够提高CeTi的抗烧结能力,同时削弱W-CeO₂相互作用,抑制老化过程中Ce₂(WO₄)₃物质的形成,使W/CuCeTi表现出更优异的水热稳定性。     

惯性导航的物理基础

 导航就是引导舰船、飞机、导弹等航行体到达预定目的地的过程.完成导航任务的设备叫导航系统,以航空导航为例,测量飞机的位置、速度、姿态等导航参数,通过驾驶员或自动驾驶仪引导其按预定航线航行的整套设备就是飞机的导航系统.     

系統■中可滿足性概念的代数处理

<正> §1.引言 Rasiowa和Sikorski在[1]中对一类相当广泛的命題演算就与可滿足性概念有关之若干問題作了代数处理.他們得到如下結果:在相应狹义調詞演算中Godel-Skolem型定理成立之一充分条件为命題演算具有某种性貭(E). 在[1]中具体研究了如下几个渍算:(古典演算),(Lewis模态演算S_4),(Heyting演算),(Johanson极小演算)及(正演算).利用相应代数的拓扑表示