The structure and electronic property of the smallest C20‐glycine and Gd‐encapsulated C20‐glycine derivatives with potentially biological activity

Theoretical calculations on interaction of the C₂₀ fullerene (consists solely by pentagons) with the smallest amino acid (glycine) were carried out using density‐functional theory method. The glycine molecule energetically prefers to interact with the Top‐site on the C₂₀ cage via its amino nitrogen (N) active site. The stable ordering of three active sites on glycine molecule is NH₂‐site > O‐site > OH‐site. Moreover, when the Gd atom is encapsulated to the center of C₂₀‐glycine, the cage volume obviously increase ～24.8%; and the endohedral atom induces the generation of two strong bands in the partial density of states spectra, which could cause the effect on optical properties. Additionally, it is also found that the modified C₂₀‐glycine derivative by Gd atom can reduce the thermodynamic and kinetic stabilities. It could be expected that the study may provide a theoretical reference in exploring their intrinsic feature structurally to antitumor activity. © 2012 Wiley Periodicals, Inc.     

DNA‐Hybrid‐Gated Multifunctional Mesoporous Silica Nanocarriers for Dual‐Targeted and MicroRNA‐Responsive Controlled Drug Delivery

The design of an ideal drug delivery system with targeted recognition and zero premature release, especially controlled and specific release that is triggered by an exclusive endogenous stimulus, is a great challenge. A traceable and aptamer‐targeted drug nanocarrier has now been developed; the nanocarrier was obtained by capping mesoporous silica‐coated quantum dots with a programmable DNA hybrid, and the drug release was controlled by microRNA. Once the nanocarriers had been delivered into HeLa cells by aptamer‐mediated recognition and endocytosis, the overexpressed endogenous miR‐21 served as an exclusive key to unlock the nanocarriers by competitive hybridization with the DNA hybrid, which led to a sustained lethality of the HeLa cells. If microRNA that is exclusively expressed in specific pathological cell was screened, a combination of chemotherapy and gene therapy should pave the way for a targeted and personalized treatment of human diseases.     

扫描隧道显微镜研究石墨表面的莫尔图

Moir patterns on HOPG were studied with scanning tunneling microscopy (STM). The results reveal that the observed Moiré patterms originate from the defects locating several layers below the surface ,which presents the first experimental evidence supporting the prediction that in HOPG the nanoscale electronic waves can propagate through several layers without obvious decay.     

Facile preparation of new unsymmetrical curcumin derivatives by solid-phase synthesis strategy

Seventeen unsymmetrical curcumin derivatives were synthesized in good yield and purity by a facile solid phase synthesis strategy.     

含R_2dtc配体Mo-Cu化合物的动态~(95)Mo NMR

本实验利用动态~(95)Mo NMR监测Mo-Cu系列化合物的形成过程,对反应CuCl+NaR_2dtc+MoO_nS,摩尔比3:3:1,溶剂为DMF;R=Et,n=0(Ⅰ);R=Me,n=0(Ⅱ);R=Et,n=2(Ⅲ)进行了研究,观察到具有不同簇骼的多种中间产物的存在及随反应进程相互转化等现象。     

Flexible all-biomass gas sensor based on doped carbon quantum dots/nonwoven cotton with discriminative function

Carbon quantum dots (CQDs) co-doped with N, P and S derived from expired milk was prepared by a simple hydrothermal method. By dipping pure cotton face towel (PCFT) into CQDs ink, a flexible all-biomass CQDs/PCFT sensor was prepared for the first time. Due to the heteroatom doping, extremely small particle size of CQDs and excellent permeability of CQDs/PCFT film, the flexible CQDs/PCFT sensor showed the high sensitivity and bending stability. In the range of 0–60° bending states, the responses of CQDs/PCFT sensor to four target analytes changed by less 5.0%. After 3000 bending of 60°, the maximum change of the response to the target analytes was only 6.4%. Interestingly, due to the abundant functional groups and defects of CQDs, the flexible CQDs/PCFT sensor displayed sensing curves of different shapes for different target analytes. In this way, by establishing a database of sensing curves of target analytes, multiple analytes can be detected discriminatively by relying only on single sensor with the help of image recognition. This work provided a reference for the development of cotton fiber based all biomass flexible gas sensor.

Graphical abstract

     

High‐strength bimodal ultrafine Ti‐based alloys with enhanced ductility

Bulk Ti₆₅Fe₃₅ and (Ti₆₅Fe₃₅)_96.15‐xSn_3.85Nb_x (x = 0, 3, 5 and 7 at.%) alloys were prepared by cold crucible levitation melting, and tested in compression at room temperature. The Sn and Nb modified hypereutectic Ti‐Fe alloys exhibited improved mechanical properties under compression. (Ti₆₅Fe₃₅)_93.15Sn_3.85Nb₃ alloy displayed an ultimate compressive strength of 2.7 GPa and a compressive plastic strain of 15%. Electron microscope observations revealed Ti‐Fe(Sn,Nb) alloys having a bimodal microstructure with micrometer‐scale primary TiFe dendrites distributed in an ultrafine eutectic (β‐Ti+TiFe) matrix. The orientation relationship of β‐Ti with TiFe phases is TiFe (011)[100] ∥ β‐Ti (011)[100]. The improved mechanical properties are attributed to the morphology of the phase constituents and the larger lattice mismatches between β‐Ti and TiFe phases due to the additions of Sn and Nb.     

杯芳烃超分子对甲醇的识别机理分析及应用

采用四种杯芳烃超分子化合物为吸附涂层物质, 探讨了涂膜石英晶体微天平(QCM)传感方法对环境大气中微量甲醇气体的识别研究, 发现RCT(Resorcinol cyclic tetramer)是对甲醇气体识别最有效的活性涂层材料. 通过RCT-MeOH单晶体的制备并对其进行X-ray衍射结构解析, 发现其识别机制是基于甲醇分子中的甲基与杯芳烃化合物的苯环之间形成了C-H…π键作用. 当RCT涂层质量为28.16 μg时, 涂膜QCM传感器对甲醇的响应最灵敏, 达到0.01245 Hz/ppm. 该传感器对甲醇气体吸附和解吸附的初速度分别为－0.2110 Hz/s和0.09497 Hz/s. 该方法具有响应快、重现性和稳定性好的优点, 对甲醇测定的回收率在97.83%～103.66%之间, 与气相色谱法测定结果一致, 表明该方法可应用于环境大气中甲醇气体含量的检测.     

广义鞍点问题的松弛维数分解预条件子

本文将Benzi等提出的松弛维数分解(Relaxed dimensionalfactorization, RDF)预条件子进一步推广到广义鞍点问题上,并称为GRDF(Generalized RDF)预条件子.该预条件子可看做是用维数分裂迭代法求解广义鞍点问题而导出的改进维数分裂(Modified dimensional split, MDS)预条件子的松弛形式, 它相比MDS预条件子更接近于系数矩阵, 因而结合Krylov子空间方法(如GMRES)有更快的收敛速度.文中分析了GRDF预处理矩阵特征值的一些性质,并用数值算例验证了新预条件子的有效性.     

新时代背景下大学物理基础课程教学的讨论

本文讨论的是＂以怎样的理念实施大学物理基础课程教学,才能使学生的学习训练获得最大收益＂.文章首先回顾近30年来教学思想随时代发展的变化,然后提出新时代背景下大学物理基础课程教学＂以学生为中心,使广大学生在知识、能力、素质上获得全面提高＂的新理念.