可调移动重叠分离图法用于高效液相色谱多台阶梯度分离条件优化的研究

计算机辅助高效液相色谱（HPLC）分离条件优化可以低成本、快速地得到优化的分离条,因而已较为广泛地用于复杂样品的分离分析。基于移动重叠分离图方法,又发展了一种新型的多台阶梯度分离条件的优化方法可调移动重叠分离图法。该方法通过预测不同流动相条件下各组分的保留时间、峰宽和分离度,绘制出对于样品中各组分的重叠分离区域图。在对当前台阶流动相组成进行优化的同时,考虑其对后面一到两个台阶上流出组分保留的影响,实时地重新绘制对于后面台阶上流出组分的重叠分离区域图。通过观察当前台阶流动相条件对当前台阶和后面台阶上流出组分分离的影响,综合考虑样品中所有组分的分离情况,找到更接近全局最优的分离条件。通过扫描的方法对优化得到的分离条件进行微调,能够进一步提高分离效果。采用文献数据对可调移动重叠分离图法的应用加以说明,在二元流动相体系下,证明了该方法在HPLC方法建立方面的优越性。     

Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations

We have used molecular dynamics simulations to study the physical properties of modified TIP3P water model included in the CHARMM program, using four different methods-the Ewald summation technique, and three different spherical truncation methods-for the treatment of the long-range interactions. Both the structure and dynamics of the liquid water model were affected by the methods used to truncate the long-range interactions. For some of the methods artificial structuring of the model liquid was observed around the cutoff radius. The model liquid properties were also affected by the commonly applied temperature control methods. Four different methods for controlling the temperature of the system were studied, and the effects of these methods on the bulk properties for liquid water were analyzed. The system size was also found to change the dynamics of the model liquid water. Two control simulations with the SPC/E water model were carried out. The self-diffusion coefficient (D), the radial distribution function (g(OO)), the distance dependent Kirkwood G-factor [G(k)(r)] and the intermolecular potential energy (E(pot)) were determined from the different trajectories and compared with the experimental data.     

环形腔高掺Er3 窄线宽光纤激光器实验研究

报道了采用光纤光栅（FBG）短直腔选频结构的环形腔窄线宽光纤激光器。采用约3m长高掺Er^3光纤，LD抽运阈值功率约为11mW，在25mW976nm有效抽运功率时输出信号功率为2．65mW，斜效率约为15％；输出激光3dB线宽小于0．01nm，20dB线宽小于0．04nm，边模抑制比（SMSR）为48dB；观察到输出信号光波长漂移范围为0．06nm。     

基于视频积累的距离扩展目标检测

正确提取目标强散射中心,并对强散射中心的能量进行有效的积累,是高分辨率雷达距离扩展目标检测的关键.本文先根据最大信噪比原则估计出目标窗口,然后在此窗口中利用门限检测方法提取目标强散射中心,最后利用广义似然比方法推导了自适应单扫频周期径向积检测器.仿真结果表明比文献[1]提出的SSD-GLRT检测器的性能有较大的改善.     

基于图形理论的Ad Hoc网络容量研究

网络容量是评估无线Ad Hoc网络性能的重要参数。本文的目的是研究如何使Ad Hoc网络容量达到最大。文章从一个全新的角度考虑Ad Hoc网络的建模，核心思想是Ad Hoc网络节点间的传输具有有限资源（包括带宽、功率等），在同等条件下若能使网络传输消耗资源最小，则网络容量迭到最大。建立了资源消耗的线性规划方程，利用图论的方法对问题求解并对算法进行改进，得到相应的路由策略。由仿真试验说明修改后的算法更加高效。     

双站合成孔径雷达的距离分辨特性

该文从雷达方程出发,研究了双站合成孔径雷达的信噪比关系和距离分辨特性,并给出了计算机仿真结果.     

Mixing tone mapping operators on the GPU by differential zone mapping based on psychophysical experiments

In this paper, we present a new technique for displaying High Dynamic Range (HDR) images on Low Dynamic Range (LDR) displays in an efficient way on the GPU. The described process has three stages. First, the input image is segmented into luminance zones. Second, the tone mapping operator (TMO) that performs better in each zone is automatically selected. Finally, the resulting tone mapping (TM) outputs for each zone are merged, generating the final LDR output image. To establish the TMO that performs better in each luminance zone we conducted a preliminary psychophysical experiment using a set of HDR images and six different TMOs. We validated our composite technique on several (new) HDR images and conducted a further psychophysical experiment, using an HDR display as the reference that establishes the advantages of our hybrid three-stage approach over a traditional individual TMO. Finally, we present a GPU version, which is perceptually equal to the standard version but with much improved computational performance.     

Suppressing one‐bond homonuclear 13C,13C scalar couplings in the J‐HMBC NMR experiment: application to 13C site‐specifically labeled oligosaccharides

Site‐specific ¹³C isotope labeling is a useful approach that allows for the measurement of homonuclear ¹³C,¹³C coupling constants. For three site‐specifically labeled oligosaccharides, it is demonstrated that using the J‐HMBC experiment for measuring heteronuclear long‐range coupling constants is problematical for the carbons adjacent to the spin label. By incorporating either a selective inversion pulse or a constant‐time element in the pulse sequence, the interference from one‐bond ¹³C,¹³C scalar couplings is suppressed, allowing the coupling constants of interest to be measured without complications. Experimental spectra are compared with spectra of a nonlabeled compound as well as with simulated spectra. The work extends the use of the J‐HMBC experiments to site‐specifically labeled molecules, thereby increasing the number of coupling constants that can be obtained from a single preparation of a molecule. Copyright © 2014 John Wiley & Sons, Ltd.     

A dissipation‐free numerical method to solve one‐dimensional hyperbolic flow equations

In this paper, a numerical method to capture the shock wave propagation in 1‐dimensional fluid flow problems with 0 numerical dissipation is presented. Instead of using a traditional discrete grid, the new numerical method is built on a range‐discrete grid, which is obtained by a direct subdivision of values around the shock area. The range discrete grid consists of 2 types: continuous points and shock points. Numerical solution is achieved by tracking characteristics and shocks for the movements of continuous and shock points, respectively. Shocks can be generated or eliminated when triggering entropy conditions in a marking step. The method is conservative and total variation diminishing. We apply this new method to several examples, including solving Burgers equation for aerodynamics, Buckley‐Leverett equation for fractional flow in porous media, and the classical traffic flow. The solutions were verified against analytical solutions under simple conditions. Comparisons with several other traditional methods showed that the new method achieves a higher accuracy in capturing the shock while using much less grid number. The new method can serve as a fast tool to assess the shock wave propagation in various flow problems with good accuracy.     

Efficient algorithm for calculating short cycles in Tanner graph based on matrix computation

Loop distribution of Tanner graph affects the BER performance of low-density parity-check codes(LDPC) decoding.To count short cycles in the Tanner graph efficiently,a side by side recursion algorithm based on matrix computation was proposed.Firstly,5 basic graph structures were defined to realize recursive calculate in the implementation process.Compared with previous works,the algorithm provided many methods for counting the same length of cycles.The same result confirmed the correctness of the algorithm.The new algorithm could not only calculate the total number of cycles,but also gave the number each edge participating in fixed-length cycles.Its complexity was proportional to the product of D and square of N,where D was the average degree of variable nodes,and N denoted the code length.For LDPC codes,D was far less than N.For most of the LDPC codes,the calculation for numbers of cycle-length g、g+2、g+4 was only several seconds.