CaO-P2O5-SiO2系统溶胶-凝胶生物活性多孔材料在SBF中的性能研究

利用溶胶-凝胶生物活性材料粉末二次烧结工艺,制备了CaO-P2O5-SiO2系统溶胶-凝胶生物活性多孔材料,并利用体外实验(in vitro)方法和XRD,SEM及FTIR技术研究了此烧结材料的显微形貌、晶相、生物活性和可降解性能.结果表明,经800℃烧结5 min后,有少量硅磷酸钙[Ca5(PO4)2SiO4,5CPS]析出,在模拟体液(SBF)中浸泡,随着时间的增长,材料表面最初形成的无定形钙磷化合物矿化成碳酸羟基磷灰石(HCA)纳米团簇,并逐渐相互融合形成HCA覆盖层;HCA只在烧结体的玻璃相(SG相)表面生成,在5CPS微晶相表面未发现HCA,该材料在37℃恒温的SBF溶液中具有较高的生物活性和可降解性能.     

不同离子影响下UV/Fenton试剂协同降解曙红B的研究

近年来,利用光催化氧化法降解难处理有机物是环境科学研究的热点问题之一。其中UV/Fenton反应已经被证明是一种有效处理有机废水的方法[1-3],其反应机理[4-7]和动力学研究[8]也被国内外广泛研究。紫外光和Fe2 对H2O2的催化分解具有协同效应,使H2O2的分解速率远大于Fe2 或紫外(UV)催化H2O2分解速率的简单加合,同时Fe2 在反应中得以再生,降低了Fe2 的用量,并保持了H2O2较高的利用率,与其他高级氧化技术(AOPs)相比,因其操作简单,反应快速,可产生絮凝,无二次污染等优点而倍受青睐。染料废水不仅具有水量大、成分复杂、COD值高、可生化…     

A validation study on the practical use of automated de novo design

The de novo design program Skelgen has been used to design inhibitor structures for four targets of pharmaceutical interest. The designed structures are compared to modeled binding modes of known inhibitors (i) visually and (ii) by means of a novel similarity measure considering the size and spatial proximity of the maximum common substructure of two small molecules. It is shown that the Skelgen algorithm generates representatives of many inhibitor classes within a very short time and that the new similarity measure is useful for comparing and clustering designed structures. The results demonstrate the necessity of properly defining search constraints in practical applications of de novo design.     

Global optimization and simulated annealing

In this paper we are concerned with global optimization, which can be defined as the problem of finding points on a bounded subset of ⁿ in which some real valued functionf assumes its optimal (maximal or minimal) value.We present a stochastic approach which is based on the simulated annealing algorithm. The approach closely follows the formulation of the simulated annealing algorithm as originally given for discrete optimization problems. The mathematical formulation is extended to continuous optimization problems, and we prove asymptotic convergence to the set of global optima. Furthermore, we discuss an implementation of the algorithm and compare its performance with other well-known algorithms. The performance evaluation is carried out for a standard set of test functions from the literature.     

On the role of continuously differentiable exact penalty functions in constrained global optimization

The aim of this paper is to show that the new continuously differentiable exact penalty functions recently proposed in literature can play an important role in the field of constrained global optimization. In fact they allow us to transfer ideas and results proposed in unconstrained global optimization to the constrained case.First, by drawing our inspiration from the unconstrained case and by using the strong exactness properties of a particular continuously differentiable penalty function, we propose a sufficient condition for a local constrained minimum point to be global.Then we show that every constrained local minimum point satisfying the second order sufficient conditions is an attraction point for a particular implementable minimization algorithm based on the considered penalty function. This result can be used to define new classes of global algorithms for the solution of general constrained global minimization problems. As an example, in this paper we describe a simulated annealing algorithm which produces a sequence of points converging in probability to a global minimum of the original constrained problem.     

Retrieval of ultraviolet skylight radiances and O3 slant column densities from balloon-borne limb spectrometer

With a novel light-weight and absolutely calibrated ultraviolet （UV） spectrometer, UV skylight radiances and O3 slant column densities are measured by balloon-borne limb measurements in Xinjiang area, China. UV skylight radiances measured at the height of 31 km are compared with the results from Modtran in the wavelength range from 290 to 420 nm. O3 slant column densities are derived from radiance spectra in the Huggins bands （320 - 335 nm） using differential optical absorption spectroscopy method. And the parameter exhibits a good correlation with the same value simulated by radiative transfer model （Tracy）. The O3 profile simultaneously measured by an O3 sonde is used as input in Tracy calculations. The O3 sonde is launched on the same balloon.     

Rescaled Simulated Annealing—Accelerating Convergence of Simulated Annealing by Rescaling the States Energies

This paper presents a new metaheuristic, called rescaled simulated annealing (RSA) which is particularly adapted to combinatorial problems where the available computational effort to solve it is limited. Asymptotic convergence on optimal solutions is established and the results are favorably compared to the famous ones due to Mitra, Romeo, and Sangiovanni-Vincentelli (Mitra, Romeo, and Sangiovanni-Vincentelli. (1986). Adv. Appl. Prob. 18, 747–771.) for simulated annealing (SA). It is based on a generalization of the Metropolis procedure used by the SA algorithm. This generalization consists in rescaling the energies of the states candidate for a transition, before applying the Metropolis criterion. The direct consequence is an acceleration of convergence, by avoiding dives and escapes from high energy local minima. Thus, practically speaking, less transitions need to be tested with RSA to obtain a good quality solution. As a corollary, within a limited computational effort, RSA provides better quality solutions than SA and the gain of performance of RSA versus SA is all the more important since the available computational effort is reduced. An illustrative example is detailed on an instance of the Traveling Salesman Problem.     

基于拉曼散射的光纤分布式温度测量系统的空间分辨力

基于自发拉曼散射的光纤分布式温度测量系统是一种真正的分布传感系统且已商品化。本文从光学的角度出发较详细地分析了此类系统的空间分辨力理论极限及其影响因素。分析表明， 对于一个１ ｋｍ 的多模系统， 若接收机的最小可分辨光功率优于３．５ ｐＷ， 则其在０～４００℃的范围内且温度精度为±１℃时的空间分辨力极限为２ ｃｍ ； 当接收机的最小可分辨光功率小于０．５ ｐＷ， 单模系统的空间分辨力极限优于对应的多模系统。因此， 把基于自发拉曼散射机理的光纤分布式温度测量系统用于短距离高分辨力的系统理论上是可行的。     

基于回波信号仿真的瑞利-喇曼-米激光雷达研制

 在分析瑞利、喇曼和米散射仿真回波信号的基础上,研制了一台探测大气温度、气溶胶和卷云的瑞利-喇曼-米散射激光雷达,实现了一台激光雷达针对大气温度、气溶胶和卷云光学特性的多参数探测。为提高瑞利和喇曼微弱回波信号信噪比,采用了极高灵敏度的R4632光电倍增管和光子计数技术;为实现对大气气溶胶和卷云的探测,532 nm回波信号采取高低分层技术、高层通道回波衰减方法和探测器门控技术。瑞利-喇曼-米散射激光雷达的探测结果证明了利用仿真回波信号指导激光雷达设计的可行性。     

随机需求的车辆路线问题的新模型

本主要研究随机需求的VRP问题,其中服务需求量满足二项式分布,根据期望值的大小我们提出了在一条路线上理想最大服务点数的新概念,并在此基础上建立了三种VRP问题的新模型,由于允许服务失败两次和部分服务使得模糊能适应多种实际问题,以模拟退火思想为基础的两阶段方法经修正后用于解新模型并取得较好的数值结果,理论分析和数值结果表明,新模型较好地描述随机需求的VRP问题,并且容易求解。