生物正交反应在我国的研究进展

生物正交反应是指能够在生物体系中进行、且不会与天然生物化学过程相互干扰的一类化学反应. 这类反应的出现为科学家对生命进程的原位研究带来了革命性的技术, 已经成为化学生物学这一新兴交叉领域的核心方向之一. 自这一概念提出的近二十年里, 生物正交化学经历了反应类型由单一的“偶联反应”向成键偶联、断键剪切反应并重, 应用场景由简单的活细胞体系向更为复杂的生物活体升级的一系列发展历程. 同时, 在生命科学研究、医药研发、临床诊疗等多个领域展示出了广阔的应用前景. 我国化学生物学领域的学者们积极参与并推动了生物正交反应的快速发展, 在反应开发、体系优化和实际应用等方面开展了一系列原创工作, 取得了瞩目的成绩; 尤其是在“生物正交剪切反应”概念的提出与开发应用等方面产生了重要的国际影响. 本综述中, 分别按照金属介导、光介导和化学小分子介导的生物正交偶联反应以及生物正交剪切反应, 对近五年来我国学者在该领域的代表性成果进行系统介绍. 最后对生物正交反应的进一步发展与应用加以展望. 我们期待更多高效、兼容的生物正交反应得以发展, 并提出“遥控生物正交化学”的未来发展目标, 期待更多的化学家能够加入生物正交反应的开发拓展与应用探索当中.     

~(236)U Multi-modal Fission Paths on a Five-dimensional Deformation Surface

In this paper, we develop a new path search algorithm which considers all the degrees of freedom and apply it on our calculated five-dimensional potential energy surface(PES) of~(236) U. Asymmetric and symmetric fission paths and barriers are obtained.     

Re_3W的点接触安德烈夫反射谱研究

本文通过对不同晶体结构Re_3W样品的点接触测量和对比研究,证实具有中心对称结构和非中心对称结构的Re_3W都是弱耦合Bardeen-Cooper-Schrieffer超导体,同时发现在两个相表面都可以形成很理想的点接触结,即电子通过界面时受到的非弹性散射很弱.将Re_3W样品置于大气环境近六个月后重新进行测量,仍然能够得到类似的结果,表明Re_3W具有很好的稳定性. Re_3W的这种优良特性,不仅可通过点接触实验得到的参数推算出Re_3W两个相的费米速度,而且提供了一种简单的方法,可以在点接触实验中利用Re_3W来印证针尖材料的费米速度和测量其自旋极化率等.作为尝试,本文用Re_3W/Ni点接触结测量了铁磁性金属Ni的自旋极化率,得到了与前人报道一致的结果.     

Phenomenology of b→cτ■ decays in a scalar leptoquark model

During the past few years,signs of lepton flavor universality(LFU)violation have been observed in b→cτ■ and b→sl+l-transitions.Recently,the D* and τ polarization fractions P_L~D* and P_L~τ in B→D*τ■decay were likewise measured by the Belle collaboration.Motivated by these intriguing results,we revisit the RD(*)and RK(*) anomalies in a scalar leptoquark(LQ)model,where two scalar LQs,one of which is a S U(2)L singlet and the other a S U(2)L triplet,are introduced simultaneously.We consider five b→ cτ■ mediated decays,B→D(*)τ■,B_c→ηcτ■,Bc→J/ψt■,and ∧_b→∧_cτ■,and focus on the LQ effects on the q~2 distributions of the branching fractions,LFU ratios,and various angular observables in these decays.Under the combined constraints of the available data on RD(*),RJ/ψ,P_L~τ(D*),and pLD*,we perform scans for the LQ couplings and make predictions for a number of observables.Numerically it is found that both the differential branching fractions and LFU ratios are largely enhanced by the LQ effects,with the latter expected to provide testable signatures at the SuperKEKB and High-Luminosity LHC experiments.     

基于分子对接和QSAR方法预测B-Raf II型抑制剂活性

B-Raf激酶在促分裂素原活化蛋白激酶(MAPK)信号转导通路中起着重要作用,已被确定为癌症治疗非常有吸引力的靶标.新型高效B-Raf抑制剂的开发成为癌症治疗的一个热门研究领域.本文以结构多样的B-Raf II型抑制剂为研究对象,联合应用分子对接和定量构效关系(QSAR)模型研究其定量构效关系去探讨抑制活性的起源.两个主题作为研究重点:生物活性构象和描述符.首先对分子对接方法(Glide、Gold、LigandFit、Cdocker和Libdock)进行准确性评价,后将研究的对象分子对接到B-Raf活性位点并获得生物活性构象.基于准确的对接结果,计算得到16个打分评价函数和21个能量描述符,以此构建定量构效关系模型. QSAR结果表明模型具有高度精确的拟合和强的预测能力(模型M1: r² = 0.852, r_(CV)² = 0.790, r_pre² = 0.864;模型M2: r² = 0.738, r_(CV)² = 0.812, r_pre² = 0.8605).同时探讨了对抑制活性有重要影响的描述符,结果表明打分评价函数(G_Score, -ECD, Dock_Score, PMF)与能量描述符(S(hb_ext), DE(int), Emodel)对抑制活性影响非常大.通过虚拟筛选和QSAR模型理论预测,一些新的具有潜在抑制活性的化合物作为B-Raf II型抑制剂被获得.上述信息对于进一步设计新颖高效的B-Raf II型抑制剂提供了有用的指导.     

Analysis of prompt fission neutron spectrum and multiplicity for 237Np（n,f） in the frame of multi-modal Los Alamos model

The improved version of Los Alamos model with the multi-modal fission approach is used to analyse the prompt fission neutron spectrum and multiplicity for the neutron-induced fission of 237Np. The spectra of neutrons emitted from fragments for the three most dominant fission modes (standard Ⅰ, standard Ⅱ and superlong) are calculated separately and the total spectrum is synthesized. The multi-modal parameters contained in the spectrum model are determined on the basis of experimental data of fission fragment mass distributions. The calculated total prompt fission neutron spectrum and multiplicity are better agreement with the experimental data than those obtained from the conventional treatment of the Los Alamos model.     

基于红色荧光染料3-(dicyanomethylene)-5, 5-dimethyl-1-(4-dimethylamino-styryl) cyclohexene的高性能白色有机电致发光器件

研究了基于红色荧光染料3-（dicyanomethylene）-5, 5-dimethyl-1-（4-dimethylamino-styryl） cyclohexene（DCDDC）的白色有机电致发光器件的性能,分别制备了基于DCDDC超薄层和DCDDC掺杂主体材料的两种器件结构: 1）indium-tin oxide（ITO）/N, N′-diphenyl-N, N′-bis（1-naphthyl-pheny1）-1, 1′-biphenyl-4, 关键词： 有机电致发光器件 白色发光 红色荧光染料 掺杂     

离轴三反射望远镜遮光罩设计与杂光分析

分析了离轴三反射望远镜的杂散光特性,给出了遮光罩设计的基本原则并进行了初步的设计.根据系统所要探测到的极限星等,通过计算得到了望远镜光学系统的点源透射比所必需满足的条件;在Tracepro杂光分析软件中建模,在方位角为0°、45°、90°、135°和180°时分别对0.1°～80°之间共15个离轴角度进行了光线追迹,通过计算得到了系统的PST曲线.结果表明,系统PST整体上是下降的且在离轴角30°以后接近指标要求,但在方位角0°和180°时,PST曲线在个别角度有突增的现象,通过光线追迹数据,得到了主要的杂光传输路径,提出了对遮光罩的修改方案并对其进行了修改.最后对改进后的系统重新进行了仿真分析.仿真结果表明,系统的杂光抑制能力达到了指标要求.     

Properties of Graphene Based Parametric Pump

The adiabatic parametric electron pump of the infinite zigzag graphene ribbons and the infinite armchair graphene ribbons is investigated by the tight binding method. The pumping signals are added by two gates around the ribbons. It is shown that the de current can be pumped out by cyclically varying the two gate voltages and the pumped current strongly depends on the driving frequency, the pumping amplitude and the phase difference of the gate voltages. The pumped current is mediated by the graphene energy levels and its peaks occur around the energies where transmission coefficients and density of states are large. The pump current may give one peak or two opposite peaks corresponding to each transmission peak or transmission pair peaks. The height and width of the current peaks increase with the amplitude of the pumping driving voltages. The pumped current is antisymmetric about the phase difference Ф=π and for small pumping amplitude the pumped current is a sinusoidal function of the phase difference. Some graphene ribbons, although with different widths, have very similar contours of the transmission coefficients and give the same pumped current figures.     

Heat Transport of Non-Local Effect with Modulated SMBI on HL-2A

Modulated supersonic molecular beam （SMB） injection is introduced to study transport features of non-local transport phenomenon on HL-2A. Repetitive non-local effect induced by modulated SMBI allows Fourier trans-formation of the temperature perturbation, yielding detailed investigation of the pulse propagation. Fourier analysis provides evidence for existence of internal transport barriers. Meanwhile, experimental progress of nonlocal effect was made in the HL-2A Tokamak in 200Z The core electron temperature Te rise increases from 18% to more than 40% and the duration of the Te rise could be prolonged by changing the conditions of SMB injection.