General Aspects and Optimization of Enantioselective Biocatalysis in Organic Solvents: The Use of Lipases [New Synthetic Methods (76)]

Enantioselective biocatalysis in nonaqueous media is becoming increasingly important in preparative synthetic chemistry. This article discusses (1) the general catalytic properties of enzymes in nonaqueous environments, (2) the basic principles that govern lipase-catalyzed enantioselective esterification and transesterification reactions in organic media for the preparation of optically active acids and alcohols, (3) the determination of kinetic and thermodynamic parameters, and (4) the quantitative analysis of published data.     

Magnetically rotational reactor for absorbing benzene emissions by ionic liquids

A magnetically rotational reactor （MRR） has been developed and used in absorbing benzene emissions. The MRR has a permanent magnet core and uses magnetic ionic liquid [bmim]FeCl4 as absorbent. Benzene emissions were carried by N2 into the MRR and were absorbed by the magnetic ionic liquid. The rotation of the permanent magnet core provided impetus for the agitation of the magnetic ionic liquid, enhancing mass transfer and making benzene better dispersed in the absorbent. 0.68 g benzene emissions could be absorbed by a gram of [bmim]FeCl4, 0.27 and 0.40 g/g higher than that by [bmim]PF6 and [bmim]BF4, respectively. The absorption rate increased with increasing rotation rate of the permanent magnet.     

Electronic structure of CeAl2 thin films studied by X-ray absorption spectroscopy

We report X-ray absorption near edge structures (XANES) study of CeAl₂ thin films of various thicknesses, 40-120 nm, at Al K- and Ce L₃-edges. The threshold of the absorption features at the Al K-edge shifts to the higher photon energy side as film thickness decreases, implying a decreased in Al p-orbital charges. On the other hand, from Ce L₃-edge spectra, we observed a decrease in the 5d4f occupancy as the surface-to-bulk ratio increases. The valence of Ce in these thin films, as revealed by the Ce L₃-edge spectral results, is mainly trivalent. From a more detailed analysis we found a small amount of Ce⁴⁺ contribution, which increases with decreasing film thickness. Our results indicate that the surface-to-bulk ratio is the key factor which affects the electronic structure of CeAl₂ thin films. The above observations also suggest that charge transfer from Al to Ce is associated with the decrease of the film thickness.     

小分子硫原子团簇正离子的结构稳定性

用分子图形软件设计出 4 9种硫原子团簇Sn+ (n =3～ 13)的结构 ,使用B3LYP密度泛函进行几何构型优化和振动频率计算 ,根据分子的总能量得出最稳定的同分异构体 .在硫原子团簇正离子中 ,大部分原子为二配位成键 .带有一、三配位的原子结构的总能量较高 .部分最稳定硫原子团簇正离子的构型与最稳定的中性硫原子团簇的构型完全不同 .     

3004铝合金“反常”锯齿屈服现象的研究

在应变速率为5.56×10^-5s^-1—5.56×10^-3s^-1的范围内，在不同温度下(从223K至773K)，对3004铝合金进行系列拉伸试验，探索其锯齿屈服规律；通过激活能的计算、内耗研究、微观组织观察和能谱分析，探讨锯齿屈服的机理与物理本质.结果表明，3004铝合金在形变过程中会出现动态应变时效现象；发现了一种“反常”的锯齿屈服现象：在出现锯齿屈服的温区内，存在锯齿屈服临界应变量转变温度T_t， 关键词： 动态应变时效 锯齿屈服 铝合金 内耗     

Field Quantization and Spontaneous Emission in Left-handed Material

Recently, research on left-handed materials （LHMs） has attracted considerable attentions. The LHMs are a kind of man-made metameterials which have negative permittivity and negative permeability. These metameterials have many novel properties such as inverse light pressure, and reverse Doppler effect, which lead to many potential applications of LHMs such as superlenses which, in principle, can achieve arbitrary subwavelength resolution. However, though the properties mentioned above are seen to be classical, the quantum phenomena in LHMs have also attracted attentions such as the modified spontaneous emission of atoms in LHME.     

The Second Law of Thermodynamic in Quantum System

The second law of thermodynamics is one of the most fundamental and for-reaching laws of physics. It teaches us that when a closed system undergoes a thermodynamic process the entropy of the system never decreases; it increases, or at least remains constant. If the entropy increases the thermodynamic process is irreversible, otherwise it is reversible. Only ideal thermal process is reversible. In classical world a great number of facts have proved the second law is true. But in quantum world since the quantum coherence and correlations exist we are not sure the second law is still true, at least in principle. This is because that： 1. on the microscopic level the irreversibility is conflict with the reversibility of all fundamental physical laws ; 2. there are not enough evidences to show it is true in quantum world.     

Allocating unfunded liability in pension valuation under uncertainty

This paper studied the cost allocation for the unfunded liability in a defined benefit pension scheme incorporating the stochastic phenomenon of its returns. In the recent literature represented by Cairns and Parker [Insurance: Mathematics and Economics 21 (1997) 43], Haberman [Insurance: Mathematics and Economics 11 (1992) 179; Insurance: Mathematics and Economics 13 (1993) 45; Insurance: Mathematics and Economics 14 (1994) 219; Insurance: Mathematics and Economics 14 (1997) 127], Owadally and Haberman [North American Actuarial Journal 3 (1999) 105], the fund level is modeled based on the plan dynamics and the returns are generated through several stochastic processes to reflect the current realistic economic perspective to see how the contribution changed as the cost allocation period increased. In this study, we generalize the previous constant value assumption in cost amortization by modeling the returns and valuation rates simultaneously. Taylor series expansion is employed to approximate the unconditional and conditional moments of the plan contribution and fund level. Hence the stability of the plan contribution and the fund size under different allocation periods could be estimated, which provide valuable information adding to the previous works.