虚拟原子探针随机采样法用于氨基酸结构描述及其构效关系研究

考虑药物与蛋白质受体的3类非键作用模式, 利用8类虚拟原子探针和Monte Carlo随机采样技术, 得到了一套新的氨基酸侧链表面静电、立体及疏水势能场(ASSPF)参数. 在此基础上对苦味二肽和血管舒缓激五肽进行了结构表征和QSAR研究, 所建模型复相关系数R2和留一法交互检验复相关系数QLOOCV2分别为0.8457, 0.851和0.7688, 0.7952, 同时分析了肽链不同位置上氨基酸侧链对活性的影响, 取得较好的结果.     

An HPLC method for the determination of selected amino acids in human embryo culture medium

A method for the determination of selected amino acids in culture medium using HPLC with fluorescence detection is described. Twenty hours after intra‐cytoplasmic sperm injection, one randomly selected zygote was transferred to the culture medium. After incubation (72 h after fertilization), the culture medium in which the embryo was incubated and blank medium was immediately stored at −80°C. Filtered medium samples were derivatized with ortho ‐phthalaldehyde (naphthalene‐2,3‐dicarboxaldehyde), forming highly fluorescent amino acids derivatives. Reverse‐phase columns (LichroCART, Purospher STAR RP_18e or Ascentis Express C₁₈) were used for the separation. The derivatives were analyzed by gradient elution with a mobile phase containing ethanol and sodium dihydrogen phosphate. The analytical performance of this method is satisfactory for all amino acids; the intra‐assay coefficients of variation were <10% and quantitative recoveries were between 95.5 and 104.4%. Changes in the levels of selected amino acids before and after human embryo cultivation were observed. After embryo incubation, the levels of all amino acids in the medium were increased, apart from aspartate and asparagine. After the cultivation of some embryos, amino acids which were not part of the medium were detected. Low amino acids turnover was observed in some embryos.     

Dispersibility dependence of thermal conductivity of carbon nanotube based nanofluids

A differential effective medium theory together with Brownian motion is used to predict Effective Thermal Conductivity (ETC) of CNT nanofluids. ETC was influenced significantly by Brownian motion and enhancement was higher in dilute nanofluids. A theoretical model employing an effective volume fraction with dispersibility factor agrees well with experimental data.     

Paraxial propagation in disclinated amorphous media

We study paraxial beam propagation along the wedge axis of a disclinated amorphous medium. The defect-induced inhomogeneity results in Berry phase and curvature that are affected by the induced uniaxial anisotropy. The Berry phase manifests itself as a precession of the polarization vector. The Berry curvature is responsible for the optical spin Hall effect in the disclinated medium, where beam deflection varies sinusoidally along the paraxial direction. Its application in determining the birefringence and the magnitude of the Frank vector is explained.     

A Strong Limit Theorem on Random Selection

In this paper, the idea of random selection in the theorem on gambling system is extended to Markov chains, by using the notion likelihood ratio and an analytic technique. A strong limit theorem on the relative frequency of ordered couple under random selection is established.AMS Subject Classification (2001) primary 60F15 Secondary 60J10     

Acoustic Waves in Channels with Porous and Permeable Walls

The propagation of acoustic disturbances in a porous medium crossed by numerous cracks (double porosity medium) is a complex problem that we here simplify by investigating the acoustics of a permeable channel. We consider a fluidfilled channel in two possible geometries, a slit or a cylindric pipe. The channel is surrounded by a porous medium (saturated with the same fluid) and is itself surrounded by an external medium. To simulate the average properties of the cracked rock, the external medium is either nonpermeable (few connections between cracks) or highly permeable (numerous connections). We present analytical and numerical results concerning acoustic disturbances of small amplitude generated in the channel, such as harmonic waves, step disturbanses and pulses.     

Stability and other limit laws for exit times of random walks from a strip or a halfplane

We show that the passage time, T^*(r), of a random walk S_n above a horizontal boundary at r (r≥0) is stable (in probability) in the sense that as r→∞ for a deterministic function C(r)>0, if and only if the random walk is relatively stable in the sense that as n→∞ for a deterministic sequence B_n>0. The stability of a passage time is an important ingredient in some proofs in sequential analysis, where it arises during applications of Anscombe's Theorem. We also prove a counterpart for the almost sure stability of T^*(r), which we show is equivalent to E|X|<∞, EX>0. Similarly, counterparts for the exit of the random walk from the strip {|y|≤r} are proved. The conditions arefurther related to the relative stability of the maximal sum and the maximum modulus of the sums. Another result shows that the exit position of the random walk outside the boundaries at ±r drifts to ∞ as r→∞ if and only if the random walk drifts to ∞.     

Almost-Sure Results for a Class of Dependent Random Variables

The aim of this note is to establish almost-sure Marcinkiewicz-Zygmund type results for a class of random variables indexed by _d ⁺ —the positive d-dimensional lattice points—and having maximal coefficient of correlation strictly smaller than 1. The class of applications include filters of certain Gaussian sequences and Markov processes.     

Hysteresis phenomena in the light self-diffraction in a dense resonant medium

On the basis of the modified Bloch equations a theory is developed of the light self-diffraction in a thin film of a dense resonant medium with allowance for the dipole-dipole interactions of atoms. It is shown that for certain values of intensity of an external field, there occurs in the film the light-induced first-kind phase transition which causes the emergence of regions (domains) with the high excitation of atoms. The switching effects of the system dense resonant medium + periodically-modulated field under consideration result in a hysteresis behaviour in the dependence of the diffraction efficiency on the adiabatically changing intensity of the external field. The predicted hysteresis offers additional potentialities in the investigation of the dynamics of the first-kind phase transition in dense media and outlook for usage of the film as a switching logical element.     

On the distribution of the length of the longest increasing subsequence of random permutations

The authors consider the length, , of the longest increasing subsequence of a random permutation of numbers. The main result in this paper is a proof that the distribution function for , suitably centered and scaled, converges to the Tracy-Widom distribution of the largest eigenvalue of a random GUE matrix. The authors also prove convergence of moments. The proof is based on the steepest descent method for Riemann-Hilbert problems, introduced by Deift and Zhou in 1993 in the context of integrable systems. The applicability of the Riemann-Hilbert technique depends, in turn, on the determinantal formula of Gessel for the Poissonization of the distribution function of .