以DNA为靶点的钌(Ⅱ)配合物的合成、晶体结构和抗肿瘤活性

为开发新型钌(Ru)抗肿瘤药物,以3-甲基-2-噻吩甲醛-4-羟基苯甲酰肼席夫碱配体(L)合成了[Ru(L)(DMSO)2Cl2](1)(DMSO=二甲基亚砜).用X射线单晶衍射法测定了1的晶体结构.配合物1的结构由1个Ru(Ⅱ)中心离子与2个DMSO分子、2个氯离子、1个L配位而成.通过MTT实验分析,1对T24细胞...     

化学学科思想研究文献的统计分析——基于中国知网中文数据库的分析

从文献基本信息、作者所在区域、作者单位、作者合作情况、文献研究内容等5个方面对2002-2016年从中国知网检索到的104篇有关化学学科思想的研究文献进行详尽地统计和分析。结果显示：（1）研究论文数目逐年增加,但总数依然较少;（2）研究群体相对集中,但尚未形成稳定核心作者群;（3）研究内容覆盖面广,但缺乏实证性和高站位。启示如下：（1）拓展研究者的范围,加强合作研究;（2）优化研究内容,创新研究方法。     

Thermal destruction of rice hull in air and nitrogen

In this study, we ashed rice hull in air and nitrogen, respectively, and systematically investigated the effects of ashing temperature and atmosphere on the structures, morphologies, and pore characteristics of rice hull ash (RHA). All RHA samples are amorphous materials with porous structures. IR spectra revealed that RHA that ashed in air (WRHA) exhibit more polar groups on the surface than that of ashed in nitrogen (BRHA). The silica and carbon contents, BET surface area, and pore volume of BRHA increase with ashing temperature. When ashed in air, however, the silica content of WRHA increases and carbon content decreases with temperature. The BET surface area and pore volume of WRHA increase with temperature firstly and decline subsequently due to the closure of pores. Compared with WRHA, BRHA shows higher surface areas, micropore volumes, carbon contents, and lower mesopore fractions and silica contents. This study provides essential information for choosing a suitable thermal treatment of rice hull for a given adsorbate.     

A Note on Fundamental Limit of Quantum Dynamics Rate

The unified bound on the fundamental limit of quantum dynamics rate, as quietly recently obtained by Levitin and Toffoli [Phys. Rev. Lett. 103 （2009） 160502], is improved and refined. The improvement may be arbitrarily large in certain cases. In particular, this puts a limit on the operation rate of quantum gates allowed by quantum mechanics.     

量子关联简介

量子纠缠作为一种非局域的关联,是一种重要的资源而被广泛应用于量子信息处理。然而,最近的研究结果发现,可分态中也可以存在非经典的关联,量子纠缠只是量子关联的一部分;非纠缠的量子关联在一些量子通信和量子计算任务中扮演着重要的角色。文章简要综述了量子关联的基本概念,描述了几种常见的量子关联度量,并介绍了量子关联在量子信息处理中的作用以及一些最新动态。     

Post-collision interactions and the polarization effect in （e, 2e） collisions of helium

A modified distorted-wave Born approximation (DWBA) method is used to calculate the triple differential cross sections (TDCSs) in a coplanar asymmetric geometry for the electron impact single ionization of a He (1s2) atom at intermediate and lower energies. The post-collision interaction and the polarization effect in (e, 2e) collisions of helium are considered in the calculations. The polarization potentials from the damping method and density functional theory (DFT) are compared. Theoretical results are compared with the recent experimental data.     

CFRP加筋板剪切稳定性试验和数值分析模型研究

为研究数值模型对碳纤维增强复合材料(CFRP)加筋板面内剪切稳定性试验计算结果的影响,采用画框式夹具对CFRP加筋板进行了屈曲试验,获得了初始屈曲载荷和载荷-应变曲线;同时基于ABAQUS有限元软件建立了四种数值模型,分别进行线性屈曲和非线性屈曲分析,通过将计算结果与试验结果的比较,确定了有效的数值模型．在此基础上,通过对屈曲前、后有效区边界上的内力分布的比较分析,明确了夹具的传力效果、试件真实的受力状态,以及偏差产生原因．     

用代数方法精确研究HF分子B1Σ的振转能谱

基于代数方法(algebraic method)可以获得双原子分子的包含最高振动能级在内的所有高阶振动能级的精确数值这一事实,又提出了一种新的代数方法(algebraic method 2)来精确研究双原子分子电子态的振转能谱和转动常数. 以HF分子的B¹Σ电子态为例,应用algebraic method 2方法研究了该电子态的振动量子数从ν=0到ν=10的所有振转能谱,获得了与实验值符合得非常好的理论结果. 关键词： 代数方法 双原子分子 振转能级     

Prenylated flavonoids and dihydrophenanthrenes from the leaves of Epimedium brevicornu and their cytotoxicity against HepG2 cells

Phytochemical study on the leaves of Epimedium brevicornu finally led to the isolation of four prenylated flavonoids (1–4) and three dihydrophenanthrenes (5–7), of which 1, 2, 5 and 7 were new compounds. The structures of these compounds were established mainly by spectroscopic techniques, including NMR spectroscopy and mass spectrometry. These isolates exhibited the cytotoxic activities against HepG2 cells with the IC₅₀ values of 32.8–87.3 μM.     

A long-term stable Pt counter electrode modified by POM-based multilayer film for high conversion efficiency dye-sensitized solar cells

A long-term stable Pt counter electrode modified by POM-based multilayer film has been fabricated by the electrochemical deposition method, which can markedly increase short-circuit photocurrent, open-circuit voltage and the conversion efficiency when used in dye-sensitized solar cells (DSSCs).