重建Cole-Cole模型参数的时域微波乳腺筛查技术

提出一种时域微波层析成像新技术，分别通过非线性最优化方法、正则化方法、Cole-Cole建模方法，有效地克服了时域微波成像技术在筛查早期乳腺肿瘤出现的成像问题非线性、病态特性及乳腺组织色散特性等困难.在二维的数值算例中，考虑噪声影响，仿真结果初步证实：该技术检测小尺寸乳腺肿瘤是可行的；易于发现浅层肿瘤；且反演静态电导率的精度最高.     

Synthesis,Structure and Photoluminescent Property of a Cd-organic Complex [Cd（L）_2（pbda）]_n

A new complex,[Cd(L)2(pbda)]n(1,L = 3-(2-pyridyl)-4-(p-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole,H2pbda = 1,4-benzenedicarboxylic acid),has been hydrothermally prepared and characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental analysis and PXRD.The complex crystallizes in monoclinic,space group P21/c with a = 8.2929(9),b = 21.668(2),c = 10.9940(11) ,β = 90.242(2)o,V = 1975.5(4) 3,Z = 2,C44H32N8O6S2Cd,Mr = 945.30,Dc = 1.589 g/cm3,μ = 0.721 mm-1,S = 1.097,F(000) = 960,the final R = 0.0590 and wR = 0.1045 for 3846 observed reflections(I > 2σ(I)).In the title complex,the rigid bridging pbda2-ligands utilize oxygen atoms of carboxylate groups to coordinate with Cd(II) atoms to form one-dimensional chains which are further interlinked into a three-dimension framework via the intermolecular weak interactions.Photoluminescence study revealed that complex 1 exhibits strong fluorescent emission band in the solid state at room temperature.     

Ab initio study of the potential energy surface and product branching ratios for the reaction of O(1D) with CH3CH2Br

The potential energy surface of O(¹D) + CH₃CH₂Br reaction has been studied using QCISD(T)/6‐311++G(d,p)//MP2/6‐311G(d,p) method. The calculations reveal an insertion‐elimination reaction mechanism of the title reaction. The insertion process has two possibilities: one is the O(¹D) inserting into C? Br bond of CH₃CH₂Br producing one energy‐rich intermediate CH₃CH₂OBr and another is the O(¹D) inserting into one of the C? H bonds of CH₃CH₂Br producing two energy‐rich intermediates, IM1 and IM2. The three intermediates subsequently decompose to various products. The calculations of the branching ratios of various products formed though the three intermediates have been carried out using RRKM theory at the collision energies of 0, 5, 10, 15, 20, 25, and 30 kcal/mol. CH₃CH₂O + Br are the main decomposition products of CH₃CH₂OBr. CH₃COH + HBr and CH₂CHOH + HBr are the main decomposition products for IM1; CH₂CHOH + HBr are the main decomposition products for IM2. As IM1 is more stable and more likely to form than CH₃CH₂OBr and IM2, CH₃COH + HBr and CH₂CHOH + HBr are probably the main products of the O(¹D) + CH₃CH₂Br reaction. Our computational results can give insight into reaction mechanism and provide probable explanations for future experiments. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

(R)-/(S)-2-(5-氟尿嘧啶-1-基-乙酰基)氨基-3-羟基丙酸甲酯和DNA相互作用的电化学研究

以自组装制得的DNA修饰电极为工作电极,采用循环伏安法以Fe(CN)63-/4-为电活性指示剂,研究了抗癌药物R型和S型的2-(5-氟尿嘧啶-1-基-乙酰基)氨基-3-羟基丙酸甲酯(简称为(R)-5FUSer和(S)-5FUSer)与DNA的相互作用.循环伏安测试结果表明:(1)体系的式电位随(R)-5FUSer和(S...     

固相萃取/高效液相色谱法测定茶油中的多种天然酚类物质

建立了同时分离、检测茶油中23种酚类物质的高效液相色谱方法.比较了液液萃取、固相萃取两种方法的提取效果,并优化了流动相、检测波长、进样量等参数.23种酚类物质在优化条件下均可有效分离,并在0.059～9.115μg/g范围内具有良好的线性关系,相关系数为0.9776～1.0000,检出限为0.041～0.379μg/g...     

Delayed state feedback and chaos control for time-periodic systems via a symbolic approach

This paper presents a symbolic method for a delayed state feedback controller (DSFC) design for linear time-periodic delay (LTPD) systems that are open loop unstable and its extension to incorporate regulation and tracking of nonlinear time-periodic delay (NTPD) systems exhibiting chaos. By using shifted Chebyshev polynomials, the closed loop monodromy matrix of the LTPD system (or the linearized error dynamics of the NTPD system) is obtained symbolically in terms of controller parameters. The symbolic closed loop monodromy matrix, which is a finite dimensional approximation of an infinite dimensional operator, is used in conjunction with the Routh–Hurwitz criterion to design a DSFC to asymptotically stabilize the unstable dynamic system. Two controllers designs are presented. The first design is a constant gain DSFC and the second one is a periodic gain DSFC. The periodic gain DSFC has a larger region of stability in the parameter space than the constant gain DSFC. The asymptotic stability of the LTPD system obtained by the proposed method is illustrated by asymptotically stabilizing an open loop unstable delayed Mathieu equation. Control of a chaotic nonlinear system to any desired periodic orbit is achieved by rendering asymptotic stability to the error dynamics system. To accommodate large initial conditions, an open loop controller is also designed. This open loop controller is used first to control the error trajectories close to zero states and then the DSFC is switched on to achieve asymptotic stability of error states and consequently tracking of the original system states. The methodology is illustrated by two examples.     

Pressure–enthalpy driven molecular dynamics for thermodynamic property calculation: I. Methodology

An algorithm is presented which enables the direct simulation of isenthalpic pressure changes and isobaric enthalpy changes using molecular dynamics (MD). The pressure and enthalpy can be controlled using either a constraint or extended system formalism. By controlling the rate with which new state points are approached, reversible or irreversible thermodynamic cycles can be simulated directly. The method can be incorporated easily into a standard MD algorithm, and provides a means for rapidly driving a system to a desired thermodynamic statepoint. In a companion paper [1], the method is applied to compute thermodynamic derivatives, simulate a vapor compression refrigeration cycle, and compute vapor–liquid coexistence curves.     

红山茶高质量基因组DNA的提取

红山茶植物细胞含有大量的多糖、脂质、色素和酚类物质,严重影响基因组DNA的提取.本研究在多次实验的基础上对CTAB法进行了改良,结果表明:采用细胞核被解裂之前加入不溶性聚乙烯吡咯烷酮(PVP),用冰冻异丙醇沉淀基因组DNA等关键技术,可以从山茶属红山茶组56个物种的植物叶片中快速提取高质量的DNA,满足ITS序列测定的需要;用嫩叶提取可获得纯度较高的DNA;样品在-20℃低温下保存对DNA的提取质量无明显影响.     

The Dynamics of Quantum Discord and Entanglement of Three Atoms Coupled to Three Spatially Separate Cavities

In this paper, we study the dynamics of quantum discord and entanglement of three identical two-level atoms simultaneously resonantly interacting with three spatially separate single-mode of high-Q cavities respectively. Taking advantage of the depiction quantum discord and entanglement of formation (EoF), we conclude that the discord and entanglement of atoms and cavities can be mediated by changing some parameters and the maximum values of discord and entanglement are independent on the couplings of cavities and atoms. In particular, there also exists quantum discord sudden death as well as entanglement sudden death and the time interval of the former is shorter than that of the later in the proposed quantum system. It is shown that the discord and entanglement of any two atoms among three atoms can be transferred to the corresponding cavities, and there exists discord and entanglement exchanging between the atoms and the corresponding cavities.