Numerical differentiation from a viewpoint of regularization theory

In this paper, we discuss the classical ill-posed problem of numerical differentiation, assuming that the smoothness of the function to be differentiated is unknown. Using recent results on adaptive regularization of general ill-posed problems, we propose new rules for the choice of the stepsize in the finite-difference methods, and for the regularization parameter choice in numerical differentiation regularized by the iterated Tikhonov method. These methods are shown to be effective for the differentiation of noisy functions, and the order-optimal convergence results for them are proved.

     

氧氟沙星和左氟沙星与人血清白蛋白的相互作用研究

用光谱技术研究了水溶液中氧氟沙星(OFLX)和左氟沙星(LVFX)与人血清白蛋白相互作用的机制.荧光猝灭法测得的结果表明反应的结合常数为KOFLX＝0.482×105L@mol-1,KLVFX=0.529×105L@mol-1,结合位点数nOFLX＝0.72,nLVFX=0.74.按照Fōorster非辐射能量转移理论得到药物-蛋白之间的结合距离分别为rOFLX=2.94nm,nVFX=2.85 nm.实验结果说明OFLX与LVFX在体内与蛋白结合直到运输到受体部位这一环节基本相同.     

锥形光纤的偏振特性

随着光通信技术的不断发展，光纤的应用越来越广泛，而锥形光纤以其独特的传光方式越来越多地应用于光纤连接、成像及测量等领域。实验测定了不同锥角和不同长度锥形光纤的偏振特性。理论上，根据麦克斯韦方程组以及边界条件给出了光在理想光纤中的场分布，阐明了实际光纤中光的传输特性。论证了锥形光纤长度与其偏振特性的关系，进而利用几何光学方法对锥形光纤锥角与其偏振特性的关系作了定性说明。并用具体数据进行了定量计算，得出偏振光经锥形光纤传输或耦合后再传输到其终端所得到均是椭圆偏振光的结论。     

Monte Carlo simulations on magnetic behavior of a spin-chain system in triangular lattice doped with antiferromagnetic bonds

A three-dimensional Ising-like model doped with anti-ferromagnetic (AFM) bonds is proposed to investigate the magnetic properties of a doped triangular spin-chain system by using a Monte-Carlo simulation. The simulated results indicate that a steplike magnetization behavior is very sensitive to the concentration of AFM bonds. A low concentration of AFM bonds can suppress the stepwise behavior considerably, in accordance with doping experiments on Ca₃Co₂O₆. The analysis of spin snapshots demonstrates that the AFM bond doping not only breaks the ferromagnetic ordered linear spin chains along the hexagonal c-axis but also has a great influence upon the spin configuration in the ab-plane.      

双折射双频激光器偏振特性的分析

用激光原理和晶体光学原理分析了腔内加旋光晶体的激光器输出光的偏振特性，实验和分析表明，激光器输出两束不同频率的垂直线偏振光，激光器两端输出光的偏振面有一夹角ａ，且此夹角与晶轴和传光方向的夹角θ有关。理论计算结果在双折射双频激光器的实验结果符合很好。     

抚州秀谷茶场茶叶中微量元素分析

对抚州地区秀茶场产的茶叶进行了微量元素测定，提供了五种茶的微量元素谱，同时还对比了秀谷茶场产茶和英德红茶中的微量元素含量的差异。     

酰基吡唑啉酮氨基酸席夫碱配合物的合成、表征与极谱行为

合成了新氨基酸席夫碱试剂1-苯基-3-甲基-4-苯甲酰基吡唑啉酮-5缩β-丙氨酸(HL)及其UO22 ,Cu(Ⅱ),Ni(Ⅱ)和Zn(Ⅱ)配合物.元素分析与摩尔电导值表明,新配合物的组成为[UO2HL2].H2O,[CuHL2].H2O,[NiHL2].2H2O和[ZnHL2].2H2O.运用红外光谱、紫外光谱、核磁共振谱、热谱和磁矩对配合物进行了表征.并考察了铜配合物的极谱行为.结果表明席夫碱以3齿形式配位,配合物中心离子的配位数(除UO22 以外)均为6.     

预浓缩/色谱-质谱测量大气中挥发性有机硫化合物

硫循环是生物地化循环中最复杂的循环之一. 近年来,由于人类活动的影响,大气中硫化物含量急剧增加. 这些硫化物与大气中自由基发生作用,形成SO2、H2SO4和硫酸盐, 导致环境酸化, 酸沉降加剧.硫酸盐气溶胶的形成还改变了大气云层特性,影响大气臭氧含量的垂直分布以及大气热量辐射,对温室效应有一定的贡献[1-3].挥发性有机硫化合物中的甲硫醇(MT),甲硫醚(DMS),二硫化碳(CS2)和二甲二硫(DMDS)还是国家标准控制《恶臭污染物排放标准》中规定的4种恶臭气体,对大气环境质量造成一定的影响.     

Reaction of porous silicon with both end-functionalized organic compounds bearing alpha-bromo and omega-carboxy groups for immobilization of biomolecules

Both end-functionalized (alpha-bromo and omega-carboxy) compounds were first tested for the radical reaction on the silicon-hydride (Si-H) terminated porous silicon (PSi) with/without the presence of diacyl peroxide initiator under microwave irradiation. Then the carboxylic acid monolayers (CAMs) assembled on PSi through the robust Si-C bonds were converted to amino-reactive linker, N-hydroxysuccinimide (NHS)-ester, terminated monolayers. And finally two proteins of bovine serum albumin (BSA) and lysozyme (Lys) were immobilized through amide bonds. The optimum PSi membrane for protein immobilization without collapse, with parameters of porous radii 4-10 nm and depth 0.2-4.6 mum, was prepared from the (100)-oriented p-type silicon wafer. The chemically converted surface products were monitored with Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and field emission scanning electron microscopy (FESEM).