Multi-centred hydrogen bonds between water and perchlorate anion

Results of classical molecular dynamics simulations are presented for the re-orientational dynamics of water hydrogen bonded to perchlorate anion. Different mechanisms of bond formation are presented. Due to its regular tetrahedron geometry the perchlorate anion can make classical as well as bifurcated and trifurcated hydrogen bonds. The angular variation of water in the first solvation shell of perchlorate suggests the transitional character of multi-centred hydrogen bonds. As a result water molecules can slide around the anion.     

Geometrically non-linear transverse vibrations of C-S-S-S and C-S-C-S rectangular plates

This paper is concerned with a new improved formulation of the theoretical model previously developed by Benamar et al. based on Hamilton's principle and spectral analysis, for the geometrically non-linear vibrations of thin structures. The problem is reduced to a non-linear algebraic system, the solution of which leads to determination of the amplitude-dependent fundamental non-linear mode shapes, the frequency parameters, and the non-linear stress distributions. The cases of C-S-C-S and C-S-S-S rectangular plates are examined, and the results obtained are in a good qualitative and quantitative agreement with the previous available works, based on various methods. In order to obtain explicit analytical solutions for the first non-linear mode shapes of C-S-C-S RP² and C-S-S-S RP, which are expected to be very useful in engineering applications and in further analytical developments, the improved version of the semi-analytical model developed by El Kadiri et al. For beams and fully clamped rectangular plates, has been slightly modified, and adapted to the above cases, leading to explicit expressions for the higher basic function contributions, which are shown to be in a good agreement with the iterative solutions, for maximum non-dimensional vibration amplitude values up to 0.75 and 0.6 for the first non-linear mode shapes of C-S-C-S RP and C-S-S-S RP, respectively.     

A critical look at the definition of multidimensional separations

Multidimensional (MD) separations, especially comprehensive two-dimensional (2D) separations such as comprehensive 2D LC (LC × LC), and comprehensive 2D GC (GC × GC), are potentially powerful separation techniques. It is important to have a clear definition of MD techniques to better understand the scope and boundaries of the subject. Widely accepted definitions of MD Separations have their roots in the definition proposed by Giddings. Giddings also added several comments that clarified the scope of his definition. However, some researchers extend Giddings’ definitions beyond their intended scope. Doing so disqualifies such comprehensive 2D techniques as LC × LC, GC × GC and 2D TLC from being considered as 2D techniques. In other instances, extended treatment of Giddings’ definition is used as a basis to justify design-parameters of comprehensive 2D separations despite the fact that these parameters lead to sub-optimal implementations. We believe that the shortcomings in the definition and its popular interpretations are serious enough to warrant attention, especially by those interested in designing optimal instrumentation for MD separations like comprehensive 2D GC. After discussion of the weaknesses in the currently used definitions, we propose to define n-dimensional analysis as one that generates n-dimensional displacement information. We believe that this definition captures the spirit of Giddings’ definition while avoiding the problems associated with its popular interpretations.     

Application of displacement chromatography for the proteome analysis of a human plasma protein fraction

It was the aim of this study to compare the performance of displacement chromatography with gradient elution chromatography both applied as the cation-exchange separation step for a proteome analysis in a bottom-up approach using multidimensional chromatography for the separation of tryptic peptides prior to their mass spectrometric analysis. The tryptic digest of the human Cohn fraction IV-4 served as a sample. For both chromatography modes commonly used operating parameters were chosen thus ensuring optimal separation results of equal sample amounts for each mode. All resulting fractions were analyzed with an HPLC-chip–LC–MS system. The eluate of the HPLC-chip column was ionized by electrospray ionization (ESI) and analyzed with an ion-trap mass spectrometer. For guaranteeing high confidence concerning the identity of the peptides, the mass spectrometric data were processed by different bioinformatic tools applying stringent criteria. By the displacement approach the total amount of identified proteins (78) was significantly higher than in the gradient mode (58). The results showed that displacement chromatography is a well suited alternative in comparison to gradient elution separation for analysis of proteomes via the bottom-up approach applying multidimensional chromatography, especially in those cases when larger quantities of proteins are available.     

Image displacement based on phase-encoded reference joint fractional transform correlator

In order to utilize the space of an input plane efficiently and make the optical structure more flexible, an image displacement measurement based on phase-encoded reference joint fractional transform correlator (PER-JFrTC) is proposed. We use a random phase mask to encode the reference image and overlay it with the target image forming the input image. Joint power spectrum (JPS) of the input image is obtained by Fourier transform and the resultant is encoded by the same phase mask. Then a fractional Fourier transform with an order p is applied to the phase-encoded JPS (PJPS), resulting in a correlation output with a sharp cross-correlation peak, which includes the displacement information between the reference and the target image. Contrast to displacement measurement based on traditional joint transform correlator (JTC), PER-JFrTC can use the space of the input plane efficiently and reduces the influence of the auto-correlation. Also the position of cross-correlation peak can be fixed arbitrarily according to the fractional order p as well as the optical set-up can be more flexible and easier to implement. Results based on digital computation show that PER-JFrTC could detect the displacement accurately and verify our proposal. A possible optical set-up is suggested.     

Quadrature demodulation technique for self-mixing interferometry displacement sensor

A new, to the best of our knowledge, signal processing method based on quadrature demodulation technique is presented for laser diode self-mixing interferometry(LDSMI) displacement sensor. Phase modulation of the laser beam is obtained by an electro-optic modulator (EOM) in the external cavity. Detection of the target's displacement can be easily achieved by sampling the interference signal at those times which satisfied certain conditions. The major advantage of the technique is that it does not involve any complicated calculation and insensitive to the sampling error. Experimental results show that the proposed method can effectively improve the displacement measurement resolution of the laser diode self-mixing displacement sensor to a few nanometers.     

高温超导磁通跳跃过程中的磁致伸缩效应

文中基于超导磁通动力学理论,考虑电磁力与热激活对磁通运动的影响,基本模型包括由等效电阻率随超导体温度和磁场变化的磁通扩散方程,以及比热随超导体温度变化的热传导方程组成.在此基础上,用数值方法求解了这组非线性磁热耦合方程,主要研究了有磁通跳跃状发生状态时环境温度和外磁场速度对于高温超导磁致伸缩的影响.结果表明:磁通进入超...     

Necessary Maximum Principle of Stochastic Optimal Control with Delay and Jump Diffusion

In this paper, we have studied the necessary maximum principle of stochastic optimal control problem with delay and jump diffusion.     

Robust spectral method for numerical valuation of european options under Merton's jump‐diffusion model

We propose a novel numerical method based on rational spectral collocation and Clenshaw–Curtis quadrature methods together with the “” transformation for pricing European vanilla and butterfly spread options under Merton's jump‐diffusion model. Under certain assumptions, such model leads to a partial integro‐differential equation (PIDE). The differential and integral parts of the PIDE are approximated by the rational spectral collocation and the Clenshaw–Curtis quadrature methods, respectively. The application of spectral collocation method to the PIDE leads to a system of ordinary differential equations, which is solved using the implicit–explicit predictor–corrector (IMEX‐PC) schemes in which the diffusion term is integrated implicitly, whereas the convolution integral, reaction, advection terms are integrated explicitly. Numerical experiments illustrate that our approach is highly accurate and efficient for pricing financial options.Copyright © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 30: 1169–1188, 2014