Probing the kinetic landscape of transient peptide-protein interactions by use of peptide (15)n NMR relaxation dispersion spectroscopy: binding of an antithrombin peptide to human prothrombin

Protein-ligand interactions may lead to the formation of multiple molecular complexes in dynamic exchange, affecting the kinetic and thermodynamic characteristics of the binding equilibrium. We followed the dissociation kinetics of the transient and specific complex of an antithrombotic peptide N-acetyl-Asp(55)-Phe-Glu-Glu-Ile-Pro(60)-Glu-Glu-Tyr-Leu-Gln(65) with human prothrombin by use of (15)N NMR relaxation dispersion spectroscopy of the peptide. Every one of the five (15)N-labeled adjacent residues of the peptide exhibited apparently different kinetic exchange and relaxation behaviors, which were especially evident at different concentrations of prothrombin. Binding-induced (15)N relaxation dispersion of residues Phe(56), Glu(57), Glu(58), and Ile(59) can be fitted phenomenologically to a two-site on-and-off exchange mechanism with physically feasible relaxation and kinetic parameters obtained for residues Phe(56), Glu(58), and Ile(59), independent of the prothrombin concentration. The apparent kinetic parameters of Glu(57) show some dependence on the concentration of prothrombin and the extracted transverse relaxation rate for Glu(57) in the bound state was severalfold higher than that expected for a protein-peptide complex with a size of approximately 72 kDa. In addition, the equilibrium population of the bound peptide obtained for Glu(57) was inconsistent with those for Phe(56), Glu(58), and Ile(59) and with the prothrombin/peptide ratios used in the experiments. These discrepancies can be explained by the presence of two conformations for the peptide-protein complex exchanging at a rate of approximately 100 s(-)(1). In all, our study shows that fast dissociation of protein-peptide complexes can be studied quantitatively using peptide (15)N NMR relaxation dispersion measurements without a precise knowledge of the peptide and protein concentrations. In addition, protein titration was found to improve the accuracy of quantitative analysis and may make it possible to determine the rate of conformational changes within the protein-peptide complex.     

Organic functionalization of the sidewalls of carbon nanotubes by diels-alder reactions: a theoretical prediction

[structure: see text] The viability of the Diels-Alder (DA) cycloaddition of conjugated dienes onto the sidewalls of single-wall carbon nanotubes is assessed by means of a two-layered ONIOM(B3LYP/6-31G:AM1) approach. Whereas the DA reaction of 1,3-butadiene on the sidewall of an armchair (5,5) nanotube is found to be unfavorable, the cycloaddition of quinodimethane is predicted to be viable due to the aromaticity stabilization at the corresponding transition states and products.     

片状化石燃料的循环流化床燃烧(Ⅰ)--片状颗粒的形貌描述和流态化阻力特征描述

比较了不同球形度概念对片状化石燃料的描述效果,研究了片状化石燃料球形度变化对其流态化特征的影响.分析了Krumbein球形度为0.1～0.4的京西无烟煤在一台50MW循环流化床锅炉上表现出来的特殊现象,如运行床温和炉膛压力大幅度波动、依靠排放冷渣保持稳定运行,揭示了这些现象发生的原因.     

浸泡法制备吸附制冷用复合吸附剂

以分子筛为基材通过浸泡CaCl2和SrCl2溶液的方法制备复合吸附剂.在模拟制冷条件下,对以不同浓度溶液制备的复合吸附剂的吸附、解吸性能进行了测定,并将吸附解吸性能最好的复合吸附剂在自制的模拟制冷装置上进行了制冷实验.结果表明,复合吸附剂具有良好的吸附、解吸性能,最大吸附量达51.6%,解吸率可达69.3%,在模拟制冷装置上系统的制冷系数达0.25,单位吸附剂的制冷功率为0.072 W/g,符合太阳能吸附制冷的要求.     

涟源钢铁公司CSP试生产Q235B钢质量分析

对涟源钢铁公司CSP试生产的Q235B钢进行了质量分析，得到了成材夹杂物的种类、数量、大小及分布规律。其成材夹杂物粒径以小于10μm的为主，占92％；夹杂物形态以圆形为主，占夹杂物总量的60％以上：成材组织为铁素体一珠光体；铸坯表面呈短的纵向裂纹。     

利用交通冲突评价双向路段交通安全

利用交通冲突相对交通事故的可替代性 ,在城市道路单个路段的安全评价中 ,建立以监测分析冲突发生量代替传统事故发生量的评价模型 ,对路段安全及其改善状况进行评价。     

形形色色的智能服装

文章分别介绍了日常生活领域和特种领域中已经研制出的多种智能服装，并展望了智能服装的发展前景。