The First Intramolecular Charge Transfer Transition Based on 2-Ureido-4[1H]-pyrimidinone Binding Module

The first intramolecular charge transfer transition based on 2-ureido-4[1H]-pyrimidinone binding module was reported.     

Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment

The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a π^* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the standard Watson-Crick pairing scheme. Received 6 April 2002 Published online 13 September 2002     

Lattice mechanical properties of some fcc f-shell metals

A pseudopotential depending on an effective core radius is proposed to study the binding energy, equation of state, ion-ion interaction, phonon dispersion curves (q-space and r-space analysis), mode Grüneisen parameters and dynamical elastic constants of some fcc f-shell metals La, Yb, Ce and Th. The contribution of the s-like electrons is calculated in the second-order perturbation theory for the potential while d and f-like electron is taken into account by introducing repulsive short-range Born-Mayer term. The parameter of the potential is evaluated by zero pressure condition. An excellent agreement between theoretical investigations and experimental findings is achieved which confirms the present formalism     

Binding energy of impurity states in an inverse parabolic quantum well under magnetic field

 We have investigated the effects of the magnetic field which is directed perpendicular to the well on the binding energy of the hydrogenic impurities in an inverse parabolic quantum well (IPQW) with different widths as well as different Al concentrations at the well center. The Al concentration at the barriers was always x_max=0.3. The calculations were performed within the effective mass approximation, using a variational method. We observe that IPQW structure turns into parabolic quantum well with the inversion effect of the magnetic field and donor impurity binding energy in IPQW strongly depends on the magnetic field, Al concentration at the well center and well dimensions.     

Enzymes immobilized on montmorillonite: comparison of performance in batch and packed-bed reactors

Summary The enzymes a-amylase, invertase and glucoamylase were immobilized on acid activated montmorillonite using two techniques, viz. adsorption and covalent binding, and their activities were tested in a batch and packed-bed reactor and were compared. The packed-bed reactor showed an improved performance for all immobilized enzymes, which was attributed to lowering of diffusional restrictions to mass transfer. Lower activity in case of batch reactor for immobilized invertase was due to a combined effect of loss of native conformation of enzyme on account of immobilization and mass transfer resistances due to improper diffusion of substrate to the active site of enzyme. For immobilized glucoamylase, the packed-bed reactor demonstrated exceptionally high activity that was very close to the free enzyme. Covalently bound glucoamylase showed higher activity than the free enzyme.     

利用手征SU(3)夸克模型研究轻双Λ超核^6_ΛΛHe,^5_ΛΛHe,^5_ΛΛH,^4_ΛΛHe,和^4_ΛΛH的结合能

在手征SU(3)夸克集团模型下, 通过共振群方法(RGM)计算了双Λ超核^6_ΛΛHe,^5_ΛΛHe,^5_ΛΛH,^4_ΛΛHe,和^4_ΛΛH的结合能. 结果表明, 假定双Λ超核具有双Λ集团和壳心核集团构成的两集团结构, 得到的^6_ΛΛHe超核的结合能与实验值基本吻合, 表明手征SU(3)夸克集团模型不仅能较好地描述重子谱、N-N和Y-N相互作用及轻Λ超核的结合能, 也能较好地描述Y-Y相互作用及双Λ超核^6_ΛΛHe,^5_ΛΛHe,^5_ΛΛH,^4_ΛΛHe,和^4_ΛΛH的结合能, 指出了它们存在的可能性.     

矿渣粉加固粉土的理论分析及路用性能研究

提出了矿渣粉加固粉土的相关理论。将矿渣粉在加固土中的作用归结为火山灰胶凝效应和微集料填充效应,而火山灰胶凝效应又可进一步归结为水化作用、激发作用和离子交换作用;认为微集料填充效应与矿渣粉细度极为相关;用框图归纳了矿渣粉加固土的两种作用效应。进行了矿渣粉、石灰粉加固土无侧限饱水抗压强度、水稳定性、冻稳定性、温度收缩和干燥收缩等路用性能试验,并进行比较。结果表明,矿渣粉加固土所测路用性能指标优于石灰粉加固土。为工程应用提供了试验依据。     

Self-energy of one electron in non-relativistic QED

We investigate the self-energy of one electron coupled to a quantized radiation field by extending the ideas developed in Hainzl (Ann. H. Poincaré, in press). We fix an arbitrary cut-off parameter Λ and recover the α²-term of the self-energy, where α is the coupling parameter representing the fine structure constant. Thereby we develop a method which allows to expand the self-energy up to any power of α. This implies that perturbation theory in α is correct if Λ is fix. As an immediate consequence we obtain enhanced binding for electrons.     

Effect of Nuclear Binding Energy to K Factor

We modify the square of virtual photon four-momentum by using nuclear binding energy formula, and calculate the effect of nuclear binding energy to K factor and Compton subprocess and annihilate subprocess in A-A collision Drell-Yan process. The outcome indicates that the effect of nuclear binding energy to K factor is obvious in little x region and it would disappear gradually as x increases.