Time resolved spectroscopic NMR imaging using hyperpolarized Xe

We have visualized the melting and dissolution processes of xenon (Xe) ice into different solvents using the methods of nuclear magnetic resonance (NMR) spectroscopy, imaging, and time resolved spectroscopic imaging by means of hyperpolarized ¹²⁹Xe. Starting from the initial condition of a hyperpolarized solid Xe layer frozen on top of an ethanol (ethanol/water) ice block we measured the Xe phase transitions as a function of time and temperature. In the pure ethanol sample, pieces of Xe ice first fall through the viscous ethanol to the bottom of the sample tube and then form a thin layer of liquid Xe/ethanol. The xenon atoms are trapped in this liquid layer up to room temperature and keep their magnetization over a time period of 11 min. In the ethanol/water mixture (80 vol%/20%), most of the polarized Xe liquid first stays on top of the ethanol/water ice block and then starts to penetrate into the pores and cracks of the ethanol/water ice block. In the final stage, nearly all the Xe polarization is in the gas phase above the liquid and trapped inside the pores. NMR spectra of homogeneous samples of pure ethanol containing thermally polarized Xe and the spectroscopic images of the melting process show that very high concentrations of hyperpolarized Xe (about half of the density of liquid Xe) can be stored or delivered in pure ethanol.     

将SVRT模型应用到单原子多原子反应F+CH2D2→CH2D/CHD2+DF/HF中

由于含时波包方法具有经典的直观又不乏量子力学的准确 ,选择含时波包方法来处理F +CH2 D2 →CH2 D/CHD2 +DF/HF反应 .把半刚性振转子 (SVRT)模型应用到该反应体系中 ,研究了两个通道中该反应从基态反应物开始在修正过的J1(MJ1)势能面上计算出来了反应几率、积分截面、速率常数 .反应几率随能量变化的图的数值结果给出了振荡结构 ,这些振荡结构是可以和动力学振荡联系起来的 .而这些振荡结构在积分截面随着能量变化的图中就被反应几率求和后的平均结果所掩盖了 .速率常数和实验结果的比较也得到了较好的结果 .     

Infine Functions, Nonsmooth Alternative Theorems and Vector Optimization Problems

In this paper we introduce a new notion of infine nonsmooth functions and give several characterizations of infineness property. We prove alternative theorems with mixed constraints (i.e., inequality and equality constraints) being described by invex-infine nonsmooth functions. We establish a necessary and sufficient condition for a solution of a vector optimization problem involving mixed constraints to be a properly efficient solution.     

Isolation and Structure Elucidation of Nortriterpenoids from Schisandra rubriflora

Seven new highly oxygenated nortriterpenoids, rubriflorins D–J ( 1 – 7 ), were isolated from the leaves and stems of Schisandra rubriflora, and their structures were elucidated on the basis of extensive analysis of spectroscopic data. These new compounds feature the opening of ring A compared with related known nortriterpenoids isolated from the genus Schisandra and showed weak activity against HIV‐1.     

A hybrid-Trefftz element containing an elliptic hole

Much work on special elements that simplify geometrical modelling of structures containing holes, cracks and/ or inclusions has been reported extensively in the literature. This paper presents a hybrid-Trefftz element containing elliptic hole formulated using Hellinger–Reissner principle by employing trial functions based on the mapping technique and the Cauchy integral method. The element presented in this paper could be regarded as an improved formulation over Piltner [Special finite elements with holes and internal cracks, Int. J. Numer. Methods Eng. 21 (1985) 1471–1485] element because the chosen trail functions in this paper have provided relatively more stable solutions. The use of the element with other ordinary displacement-based finite elements has also yielded very accurate solutions even when very coarse meshes relative to the size of the elliptic hole have been used.