Thermally induced solid-state transformation of cimetidine. A multi-spectroscopic/chemometrics determination of the kinetics of the process and structural elucidation of one of the products as a stable N3-enamino tautomer

Exposure of cimetidine (CIM) to dry heat (160–180 °C) afforded, upon cooling, a glassy solid containing new and hitherto unknown products. The kinetics of this process was studied by a second order chemometrics-assisted multi-spectroscopic approach. Proton and carbon-13 nuclear magnetic resonance (NMR), as well as ultraviolet and infrared spectroscopic data were jointly used, whereas multivariate curve resolution with alternating least squares (MCR-ALS) was employed as the chemometrics method to extract process information. It was established that drug degradation follows a first order kinetics.     

K(o)the-Bochner空间的凸性

本文利用K(o)the函数空间的性质以及K(o)the函数空间与K(o)the-Bochner空间的关系,讨论了K(o)the-Bochner空间E(X)的凸性,主要结果如下:(a)给出E(X)的端点的充分条件,得到了E(X)严格凸的判据,相应地推广了Lp(μ,X)以及LΦ(X)的结果;(b)讨论了E(X)的弱局部一致凸和局部完全k-凸;(c)刻画了E(X)的强凸,给出了E(X)强凸的充要条件.     

On a free boundary problem for the Reynolds equation derived from the Stokes system with Tresca boundary conditions

The asymptotic behaviour of a Stokes flow with Tresca free boundary friction conditions when one dimension of the fluid domain tends to zero is studied. A specific Reynolds equation associated with variational inequalities is obtained and uniqueness is proved.     

On the construction of samples for testing approximate optimization methods for estimate calculation algorithms

To validate approximate optimization schemes for estimate calculation algorithms (ECAs), it is necessary to compute the optimal height, which cannot be done in a reasonable amount of time. A variety of samples are built for which the optimal height of the ECAs is known by construction.     

Three methods for analyzing forced vibration of a fluid-filled cylindrical shell

The forced vibration of an infinite elastic circular cylindrical shell filled with fluid is studied. Three methods are employed to analyze the forced vibration problem of this shell-fluid coupled system, that is, wave propagation approach (wave mode superposition), theorem of residues and a numerical integral method. In order to explain these methods more explicitly, before being used to investigate the vibration of an infinite fluid-filled elastic circular cylindrical shell, all these three methods are employed firstly to analyze the forced vibration problem of an infinite beam and an infinite elastic circular cylindrical shell in vacuo. Advantage and disadvantage of these three methods are discussed and their interesting relationship is revealed. That is, to any circumferential wavenumber and frequency of the external force, there is an unchangeable relationship between the general coordinates of various waves in the wave propagation approach and the residuals in the theorem of residues.     

厚高阶光学非线性介质Z扫描的变分法分析

利用变分法对具有五阶光学非线性介质的Z扫描特性进行了研究。通过比较，发现当介质在具有较大的五阶非线性系数或较大光强的情况下，五阶非线性项的作用是不可忽略的。这对光限制器的设计和Z扫描实验都具有一定的指导意义。     

An Alternative Approach to the Extraction of Structure Functions in Deep Inelastic e-p Scattering at 5 to 20 GeV

Two structure functions W1(x,Q2) and W2(x,Q2) are determined by using the cross sections measured in the deep inelastic electron-proton scattering experiments at Stanford Linac in the energy range of 5 to 20 GeV. In this paper an alternative mathematical approach have been used in such determination, resulting in a larger number of points in the graphs of the structure functions.     

Halogen Bonding： An AIM Analysis of the Weak Interactions

A series of complexes formed between halogen-containing molecules and ammonia have been investigated by means of the atoms in molecules （AIM） approach to gain a deeper insight into halogen bonding. The existence of the halogen bond critical points （XBCP） and the values of the electron density （Pb） and Laplacian of electron density （V2pb） at the XBCP reveal the closed-shell interactions in these complexes. Integrated atomic properties such as charge, energy, polarization moment, volume of the halogen bond donor atoms, and the corresponding changes （△） upon complexation have been calculated. The present calculations have demonstrated that the halogen bond represents different AIM properties as compared to the well-documented hydrogen bond. Both the electron density and the Laplacian of electron density at the XBCP have been shown to correlate well with the interaction energy, which indicates that the topological parameters at the XBCP can be treated as a good measure of the halogen bond strength In addition, an excellent linear relationship between the interatomic distance d（X…N） and the logarithm of Pb has been established.     

Generalized fractional programming duality: A parametric approach

Using a parametric approach, duality is presented for a minimax fractional programming problem that involves several ratios in the objective function.The first author is thankful to Natural Science and Engineering Research Council of Canada for financial support through Grant A-5319, and the authors are thankful to the anonymous referees for useful suggestions.