水杨酸钴非等温热分解动力学研究

用热分析(TG/DTG)、X射线衍射(XRD)技术研究了固态物质水杨酸钴在空气中热分解的过程。热分析结果表明,水杨酸钴在空气中分两步分解,其失重率与理论计算失重率相吻合;XRD结果表明,水杨酸钴分解的终产物为Co3O4。用Friedman法和Flynn-Wall-Ozawa(FWO)法求取了分解过程的活化能E,并用多元线性回归和多元非线性回归法给出了可能的机理函数,由这些方法得到的动力学数据相互比较吻合。     

Mixed ligand complexes of AEE hexafluoroacetylacetonates with diglyme: Synthesis,crystal structure and thermal behavior

The novel mixed ligand complexes [Ca(hfa)₂(diglyme)(H₂O)] (I), [Sr(hfa)₂(diglyme)(H₂O)] (II) and [Ba(hfa)₂(diglyme)₂] (III) (Hhfa = 1,1,1,5,5,5-hexafluoropentane-2,4-dione, diglyme = 2,5,8-trioxanonane) were synthesized by the reactions of the alkaline earth element (AEE) carbonates in n-hexane with a mixture of Hhfa and diglyme, and they were characterized by elemental analysis, ¹H and ¹³C NMR, and FTIR spectroscopy. The crystal structures of I–III, consisting of mononuclear isolated molecules, have been determined. The thermal behavior and composition of the vapor phase have been studied for I–III by thermal analysis at low pressure and mass spectrometry using a Knudsen cell. The stability of the mixed ligand complexes [M(hfa)₂(diglyme)_n] to the removal of diglyme molecules under heating decreases in the row I > II ≈ III, and only I evaporates as the mixed ligand complex after water removal.     

气相生长氮化铝单晶的新方法

通过在钨坩埚盖开小孔的方法改变氮化铝结晶衬底上的温度场分布,在开孔处形成局部低温区;由于孔的几何尺寸的限制和氮化铝晶体生长的各向异性,开孔处的氮化铝晶体单晶化;随后,开孔处的单晶起籽晶的作用,逐渐长成较大尺寸、较高质量的氮化铝单晶.目前用该方法已经制备出直径大于2mm的氮化铝单晶体.     

Conjugates of Iron-Transporting N-Hydroxylactams with Ciprofloxacin

Screening of a library of novel N-hydroxylactams amenable by the Castagnoli-Cushman reaction identified four lead compounds that facilitated ⁵⁵Fe transport into P. aeruginosa cells (one of these synthetic siderophores was found to be as efficient at promoting iron uptake as the natural siderophores pyoverdine, pyochelin or enterobactin). Conjugates of the four lead siderophores with ciprofloxacin were tested for antibacterial activity against P. aeruginosa POA1 (wild type) and the ∆pvdF∆pchA mutant strain. The antibacterial activity was found to be pronounced against the ∆pvdF∆pchA mutant strain grown in CAA medium but not for the POA1 strain. This may be indicative of these compounds being ‘Trojan horse’ antibiotics. Further scrutiny of the mechanism of the antibacterial action of the newly developed conjugates is warranted.     

Simultaneous Brownian motion of N particles in a temperature gradient

A system of N Brownian particles suspended in a nonuniform heat bath is treated as a thermodynamic system with internal degrees of freedom, in this case their velocities and coordinates. Applying the scheme of nonequilibrium thermodynamics, one then easily obtains the Fokker-Planck equation for simultaneous Brownian motion of N particles in a temperature gradient. This equation accounts for couplings in the motion as a result of hydrodynamic interactions between particles.     

基于MCPT解法器库的专用辐射探测模拟软件研发与应用北大核心CSCD

甲状腺内^(131)I放射性活度与辐射探测结果的比例关系与甲状腺几何尺寸、探测距离等因素相关,是估算甲状腺内^(131)I含量与其可能造成的辐照损伤的关键参数。基于MCPT辐射输运数值模拟算法器库开发了用于开展NaI探测器伽马辐射测量模拟的应用程序,进而建立了多组具有不同容积的甲状腺型容器和不同探测距离的物理模型,最终通过蒙特卡罗数值计算得到了不同测量状态下探测器的探测效率。在甲状腺型容器与探测器距离较远时,数值模拟给出的结果与理论计算结果一致,证明此应用程序可用于定量分析NaI的探测效率。数值模拟结果表明,小距离模型的结果受甲状腺样容器的大小和距离的显著影响,模拟给出的探测效率表为开展深入细致的实验研究奠定了基础。     

Hall coefficient in solution for a simple dynamical model

A model Liouville equation is proposed for a system composed of an ion moving in a solvent fluid. Using this model, explicit results are obtained for the Ohmic conductivityL and the Hall conductivityh. These results are then used to calculate the Hall coefficientR = ehL^–2, which is a measure of the effect of non-Brownian motion, for several charge carriers of interest. Our results are in agreement with earlier findings based on a stochastic model which predictR > 1 for H⁺(aq). Our results also indicate thatR 1 for charge carriers such as Na⁺, Cl^–, and K⁺ which have a mass greater than that of a solvent molecule (here taken as 18 amu).This research was supported in part by grants from the National Science Foundation and by the Research Foundation of the State University of New York.     

Pierre Turq,an inspirational scientist in charge and at interfaces

Pierre Turq has made decisive contributions to the theory and to the multiscale simulation of charged systems, such as molten salts, electrolyte solutions and colloidal suspensions, in the bulk, at interfaces and under confinement. His research line focussed on dynamical properties and was characterised by constant efforts to connect his theoretical work to both experiments and practical applications. In this article, his colleagues and former students pay a tribute to his past and current research interests by illustrating some recent developments accomplished in his laboratory.     

Effect of Co2+ on the growth,optical properties and laser damage threshold of potential nonlinear optical l-alanine single crystal

Good transparent bulk single crystals of pure l-alanine (LA) and cobalt doped LA crystals have been synthesized and successfully grown by slow-cooling method from their aqueous solutions. The concentration of metal dopants in the mother solution with 0.5 mol% for cobalt was carried out individually and crystals were obtained with well defined morphology. The as grown metal doped and pure single crystals were characterized by single crystal XRD studies which confirm that the incorporation of metallic dopants has not changed the basic structure of the parent crystal. The absorption of these crystals was analyzed and the result confirms that they possess low absorption in the range 230–1100 nm. Fourier transform infrared (FTIR) spectroscopy was carried out to investigate the molecular vibrations of these crystals and to confirm the incorporation of the dopants. The thermal properties have been studied by TGA/DTA curves. The EDAX measurement and surface morphology were studied for pure and metal doped LA crystals. The second harmonic generation (SHG) signals were observed using Nd: YAG laser with fundamental wavelength of 1064 nm in pure and metal doped crystals. The laser damage threshold was measured for pure and metal doped LA crystals and also tested by using a Q-switched Nd: YAG laser showed enhanced LDT value for metal (Co²⁺) doped LA crystal compared to pure LA crystal due to the metallic substitutions thus proving their useful candidature for nonlinear optical applications.