Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment

The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a π^* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the standard Watson-Crick pairing scheme. Received 6 April 2002 Published online 13 September 2002     

提前还贷及其隐含期权的分析

可提前还款的定期贷款是隐含着期权的利率衍生物，本文建立CIR利率模型下可提前还款的定期贷款的数学模型，通过离散偏微分方程，建立了模型的计算方法，讨论了随机利率对提前还贷的影响．     

一阶线性非齐次微分方程求解方法的讨论和一个简化的求解方法

本文证明了一阶线性非齐次微分方程y＇+P(x)·y=f(x)三个求解方法:参数变易法、积分公式、积分因子法之间的等同关系.从参数变易法中引出一个简化的积分公式.事实上此公式恰是对用参数变易法解高阶线性非齐次微分方程时对n=1的拓广.最后以实例验证此公式的简易.     

Positive solutions and eigenvalue regions of two-delay singular systems with a twin parameter

The paper is concerned with a two-delay singular differential system with a twin parameter. Applying fixed-point index theory, we show the relationship between the asymptotic behaviors of nonlinearities (at zero and infinity) and the open regions (eigenvalue regions) of parameters, which are correlated with delays, such that the system has zero, one and two positive solution(s).     

MORPHOLOGY OF BLACK CARBON AEROSOLS AND UBIQUITY OF 50-NANOMETER BLACK CARBON AEROSOLS IN THE ATMOSPHERE

Different-sized aerosols were collected by an Andersen air sampler to observe the detailed morphology of the black carbon （BC） aerosols which were separated chemically from the other accompanying aerosols, using a Scanning Electron Microscope equipped with an Energy Dispersive X-ray Spectrometer （SEM-EDX）. The results indicate that most BC aerosols are spherical particles of about 50 nm in diameter and with a homogeneous surface. Results also show that these particles aggregate with other aerosols or with themselves to form larger agglomerates in the micrometer range. The shape of these 50-nm BC spherical particles was found to be very similar to that of BC particles released from petroleum-powered vehicular internal combustion engines. These spherical BC particles were shown to be different from the previously reported fullerenes found using Matrix-Assisted Laser Desorption/Ionization Time-Of-Flight Mass Spectrometry （MALDI-TOF-MS）.     

System dependence of the correlation function of IMFs in Ar + Sn at 35 MeV/u

The inclusive reduced velocity correlation functions of the intermediate mass fragments were measured in the reactions of ³⁶Ar + ^112,124Sn at 35 MeV/u. The anti-correlation is observed to be stronger in ³⁶Ar + ¹²⁴Sn system than that in ³⁶Ar + ¹¹²Sn. The difference of the correlation functions between the two reactions is mainly contributed by the particle pairs with high momenta. A three body Coulomb repulsive trajectory model is employed to calculate the emission time scale of the IMFs for the two systems. The time scale is 150 fm/c in ³⁶Ar + ¹¹²Sn and 120 fm/c in the ³⁶Ar + ¹²⁴Sn, respectively.     

Mixed Elastico-Plasticity Problems with Partially Unknown Boundaries

In this paper,we study mixed elastico-plasticity problems in which part of the boundary is known,while the other part of the boundary is unknown and is a free boundary.Under certain conditions,this problemcan be transformed into a Riemann-Hilbert boundary value problem for analytic functions and a mixed boundaryvalue problem for complex equations.Using the theory of generalized analytic functions,the solvability of theproblem is discussed.     

The energy and structure of (0 0 1) twist grain boundary in noble metals

The relaxed energy and structure of (0 0 1) twist grain boundary (GB) in noble metals Au, Ag and Cu are simulated by the MAEAM. In-boundary translation between two adjacent grains results in a periodic energy variation and the period is a square with the side length L_Σ/Σ. The lowest energy appears when the two grains are translated relatively to either corner or center of the periodic square. The relaxed GB energy increases smoothly for low-angle boundaries and levels off for larger-angle boundaries except a cusp appeared at θ = 36.87° (Σ = 5). After relaxation, the symmetry of the GB structure is not changed but the displacement of the atoms parallel to the GB plane decreases with increasing the distance of the atoms from the GB plane.     

ALICE实验中光子谱仪的触发选判机制的模拟研究

对ALICE实验光子谱仪的触发选判机制进行了模拟研究, 内容包括: 1) 对光子谱仪的能量重建性能进行了研究, 通过计算机模拟检验光子谱仪探测器对大横动量范围的入射粒子的能量重建性能; 2) 对光子谱仪探测器的事件触发效率进行了研究, 通过计算机模拟分析触发阈值的选取并计算触发效率; 3) 对光子谱仪探测器的事件触发频率进行了研究, 通过计算机模拟对p-p和Pb-Pb两种碰撞模式下的触发频率分别进行了估算和讨论.     

Representation surfaces of Young''s modulus and Poisson''s ratio for BCC transition metals

 The general expressions for the compliance , Young's modulus E(h k l) and Poisson's ratio υ(h k l) along an arbitrary direction [h k l] are given for cubic crystals. The representation surfaces, for which the length of the radius vector in the [h k l] direction equals to E(h k l) or υ(h k l), are constructed for seven BCC transition metals Cr, Fe, Mo, Nb, Ta, V and W. Neglecting W, which is isotropic, both representation surfaces of Young's modulus and Poisson's ratio are spherical surfaces. The remaining BCC transition metals may be grouped into two classes. In the first group (Cr, Mo, Nb and V) with negative values of s_A, Young's modulus surface has eight depressed corners and six rounded protuberances at the centers of the faces. In the second group (Fe and Ta) with positive values of s_A, on the contrary, Young's modulus surface has eight rounded protuberance corners and six depressions at the centers of the faces. The contrary conclusions are obtained for Poisson's ratio.