一种检测CO32-比率荧光探针的合成及其在细胞成像中的应用

本文设计开发了一种以2,6-二甲酰基对甲苯酚为母体的新型荧光探针HMI,可用于高效识别EtOH-H₂O (8/2, v/v, HEPES 10 mM, pH =7.4)体系中的CO_3^2-。HMI在660 nm处显示发射带,加入CO_3^2-后,在600 nm的等吸收点激发时,原来在660 nm处的荧光淬灭,而以540 nm为中心的新发射带荧光显着增加,为比率型荧光探针。HMI对CO_3^2-表现出高选择性且具有较强的抗干扰能力。此外,荧光探针HMI对CO_3^2-荧光响应的检测限较低,可达到3.938×10^_-6 M。更具有意义的是,HMI探针对CO_3^2-的检测能够在实际水样中起到很好的应用,而且细胞成像研究表明,HMI可用于活体MCF-7细胞中CO_3^2-的成像。     

大学化学课程的混合式教学实施与探索

为更好地建设精品资源共享课,提高人才培养质量,结合哈尔滨工业大学"大学化学国家精品课程"现有改革成果,初步尝试了面授加视频的混合式教学,探讨了在实践过程中取得效果和反映出的问题,并为混合式教学的推广实施提出了建议。旨在促进未来大学化学课程的在线教育发展,提高教学效果。     

基于RS-BPNN模型对商品房价格的预测研究

为了克服传统预测方法的不足,采用RS-BPNN模型预测商品房价格.利用粗糙集理论确定影响商品房价格的主要因素,运用具有超强数据处理能力的BP神经网络,根据筛选的主要因素作为输入节点数,构建商品房价格的预测模型,然后通过实例进行仿真.结果表明,其预测精度远远超过传统预测方法.可见RS-BPNN模型在房地产价格预测领域具有很强的实用性.     

Janus二维双层MoSSe/WSSe异质结光电性质的第一性原理研究

通过第一性原理计算研究了四种二维双层MoSSe/WSSe范德瓦耳斯异质结的光电性质。声子谱表明四种结构具有可靠的热力学稳定性。根据堆垛方式的不同，双层MoSSe/WSSe异质结可以是间接或直接半导体。而且，两种Janus型MoSSe/WSSe异质结具有1.22和1.88 eV的适中带隙、显著的可见光吸收系数、跨越了水氧化还原电位的带边位置。因此，Janus型的MoSSe/WSSe异质结构在光催化水分解领域具有一定的应用前景。     

Cytotoxic and NF-κB inhibitory sesquiterpene lactones from Piptocoma rufescens

Six new (1-6) and eight known germacranolide-type sesquiterpene lactones, along with several known phenylpropanol coumarates and methylated flavonoids, were isolated from the leaves of Piptocoma rufescens, collected in the Dominican Republic. The new compounds were identified by analysis of their spectroscopic data, with the molecular structure of 3 being established by single-crystal X-ray diffraction. The absolute configurations of the sesquiterpene lactones isolated were determined from their CD and NOESY NMR spectra, together with the analysis of Mosher ester reactions. Bioassay screening results showed the majority of the sesquiterpene lactones isolated (1-13) to be highly cytotoxic toward the HT-29 human colon cancer cell line, with the most potent compound being 15-deoxygoyazensolide (10, IC(50), 0.26 μM). In addition, several of the sesquiterpene lactones exhibited NF-κB (p65) inhibitory activity.     

NCIPLOT: a program for plotting non-covalent interaction regions

Non-covalent interactions hold the key to understanding many chemical, biological, and technological problems. Describing these non-covalent interactions accurately, including their positions in real space, constitutes a first step in the process of decoupling the complex balance of forces that define non-covalent interactions. Because of the size of macromolecules, the most common approach has been to assign van der Waals interactions (vdW), steric clashes (SC), and hydrogen bonds (HBs) based on pairwise distances between atoms according to their van der Waals radii. We recently developed an alternative perspective, derived from the electronic density: the Non-Covalent Interactions (NCI) index [J. Am. Chem. Soc. 2010, 132, 6498]. This index has the dual advantages of being generally transferable to diverse chemical applications and being very fast to compute, since it can be calculated from promolecular densities. Thus, NCI analysis is applicable to large systems, including proteins and DNA, where analysis of non-covalent interactions is of great potential value. Here, we describe the NCI computational algorithms and their implementation for the analysis and visualization of weak interactions, using both self-consistent fully quantum-mechanical, as well as promolecular, densities. A wide range of options for tuning the range of interactions to be plotted is also presented. To demonstrate the capabilities of our approach, several examples are given from organic, inorganic, solid state, and macromolecular chemistry, including cases where NCI analysis gives insight into unconventional chemical bonding. The NCI code and its manual are available for download at http://www.chem.duke.edu/~yang/software.htm.     

Effects of oxidation pretreatment temperature on Kovar used as CO_2 reforming catalyst

The effect of oxidation pretreatment temperature(500 ~ 1 000 ℃) on the catalytic activity of Kovar applied on hydrocarbon CO2reforming was examined. Catalytic performance evaluation using tetradecane at 800 ℃ with 70 μmol/s CO2revealed 700 and 1 000 ℃ as the best pre-oxidation temperature in producing CO and H2,respectively. XRD and SEM-EDX analyses showed that a separate metal oxide layer composed of iron oxide(Fe2O3and F3O4),nickel,cobalt,and possibly their respective oxides started to form when oxidation was conducted at 700 ℃ or higher.The presence of iron enhanced the stability of nickel in the structure while the compact structure of Fe3O4resulted into the formation of a thick and rigid metal oxide layer on the surface of the Kovar tube. The strong physical bond between the metal oxide layer and Kovar tube provided the catalyst good mechanical strength and consequently good catalytic activity.     

Fe_3O_4 nano-whiskers by ultrasonic-aided reduction in concentrated NaOH solution

Fe 3 O 4 nano-whiskers were synthesized via ultrasonic-aided reduction of FeCl 2 ·4H 2 O with N 2 H 4 ·H 2 O in concentrated NaOH solution. Phase identification and morphology observation were conducted by X-ray diffraction (XRD) analysis, transmission electron microscopy (TEM) and field emission scanning electron microscopy (FE-SEM). Face scanning energy dispersive spectrum (face scanning EDS) and two-dimensional fast Fourier transform (2DFFT) for element distribution were carried out for confirming compos...     

水热-溶胶-凝胶法合成多壁碳纳米管-Na3V2（PO4）3复合物及其作为锂离子电池正极材料的性能

采用水热和溶胶-凝胶相结合的方法,制备了具有良好电化学性能的新型多壁碳纳米管-Na₃V₂（PO₄）₃（MWCNT-NVP）复合材料（MWCNT的质量分数为8.74%）. 通过场发射扫描电子显微镜表征可知,MWCNT分散在NVP纳米颗粒之间,并起到“电子导电线”的作用. 与纯Na₃V₂（PO₄）₃相比,MWCNT-NVP具有更高的比容量和更优异的循环性能. 在0.2C（35.2 mA·g^-1）的电流密度下,3.0-4.5 V的电压范围内,MWCNT-NVP的初始比容量为82.2 mAh·g^-1. 循环100次以后,比容量为72.3 mAh·g^-1. 在1.0-3.0 V充放电时,MWCNT-NVP的初始容量为100.6 mAh·g^-1. 100次循环以后,其容量保持率高达90%. 同时,交流阻抗测试表明,由于MWCNT的存在,MWCNT-NVP的导电性有了显著的提高. 以上结果表明,MWCNT-NVP是一种良好的锂离子电池电极材料.     

AlF3包覆LiNi0.45Mn0.45Co0.10O2锂离子电池正极材料的结构表征和 电化学性能研究

通过共沉淀与固相反应法制备层状的LiNi0.45Mn0.45Co0.10O2, 并利用X射线衍射(XRD)和电子扫描显微镜(SEM)测定材料的结构和形貌. 在2.5～4.5 V范围内, 以0.1 C (28 mA•g－1)放电, LiNi0.45Mn0.45Co0.10O2正极材料的起始放电容量达到167.2 mAh•g－1, 但循环性能较差. 当采用AlF3包覆后, 材料的循环性能得到明显改善. 利用电化学阻抗谱(EIS)技术探索AlF3包覆对正极材料的电化学性能改善机理, 实验结果表明: AlF3包覆层能够阻止电解液对正极材料的溶解和侵蚀, 稳定其层状结构, 同时降低了电极界面阻抗. 因此AlF3包覆技术是一种改善LiNi0.45Mn0.45Co0.10O2材料电化学性能的有效方法和工具.