Electronic properties of model quantum-dot structures in zero and finite magnetic fields

We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method. The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed. Received 16 October 2001 and Received in final form 17 January 2002     

N identical particles under quantum confinement: a many-body dimensional perturbation theory approach

Systems that involve N identical interacting particles under quantum confinement appear throughout many areas of physics, including chemical, condensed matter, and atomic physics. In this paper, we present the methods of dimensional perturbation theory, a powerful set of tools that uses symmetry to yield simple results for studying such many-body systems. We present a detailed discussion of the dimensional continuation of the N-particle Schrödinger equation, the spatial dimension D→∞ equilibrium (D⁰) structure, and the normal-mode (D⁻¹) structure. We use the FG matrix method to derive general, analytical expressions for the many-body normal-mode vibrational frequencies, and we give specific analytical results for three confined N-body quantum systems: the N-electron atom, N-electron quantum dot, and N-atom inhomogeneous Bose-Einstein condensate with a repulsive hard-core potential.     

First-Principles Study on the Electronic Structures for Y^3＋：PbWO4 Crystals

The possible defect models of Y^3＋：PbWO4 crystals are discussed by defect chemistry and the most possible substituting positions of the impurity Y^3＋ ions are studied by using the general utility lattice program （GULP）. The calculated results indicate that in the lightly doped Y^3＋ ：PWO crystal, the main compensating mechanism is [2Ypb^＋ ＋ VPb^2-], and in the heavily doped Y^3＋ ：PWO crystal, it will bring interstitial oxygen ions to compensate the positive electricity caused by YPb^＋, forming defect clusters of [2Ypb^＋ ＋Oi^2-] in the crystal. The electronic structures of Y3＋ ：PWO with different defect models are calculated using the DV-Xα method. It can be concluded from the electronic structures that, for lightly doped cases, the energy gap of the crystal would be broadened and the 420nm absorption band will be restricted; for heavily doped cases, because of the existence of interstitial oxygen ions, it can bring a new absorption band and reduce the radiation hardness of the crystal.     

Applications of Finite Fields to Combinatorics and Finite Geometries

We survey some applications of finite fields to finite geometries in part A and to combinatorics and error-correcting codes in parts B and C.     

Exciton-related optical nonlinearities in semiconductors and semiconductor microcrystallites

We report on large optical nonlinearities due to specific many-body effects in high-density electron-hole pair systems. On bulk CdS we study the effect of free-carrier screening on the absorption and refraction in the vicinity of the band-gap at room temperature. Steady-state saturable absorption at mW-power levels and four-wave mixing with first-order efficiencies as large as 2% of the incoming light are demonstrated on a 1m slab. On CuBr microcrystallites embedded in glass we investigate the changes of the exciton absorption caused by many-exciton effects both at cryo and room temperature. In contrast to bulk semiconductors, we observe a blue shift of the exciton peak at resonant optical excitation. In addition, strong saturation of absorption with very large contrast shows up. We find Lorentzian saturation intensities in the 100 kW/cm² range.     

肠道病毒71型外壳蛋白VP1在大肠杆菌中的表达

将扩增得到的肠道病毒71型外壳蛋白VP1基因克隆到测序载体pGEM-T,测序验证该序列为目的片段后,将目的基因克隆到原核表达载体pGEX-5x-1中,转化大肠杆菌BL21,IPTG诱导表达,产物经SDS-PAGE分析和Western blot验证。结果表明,在经IPTG诱导的BL21中检测到分子量与预期大小相符的大约60 kDa的融合蛋白。利用表达产物作为抗原,对EV71感染病人阳性血清的检测初步证实,重组蛋白VP1可以作为检测EV71感染的检测用抗原。     

Magnetic properties of Ca-doped SrRuO3 from full-potential calculations

We have carried out accurate generalized-gradient-corrected fully-relativistic full-potential calculations for Sr_1−xCa_xRuO₃ (x=0, 0.25, 0.5, 0.75, and 1) in para-, ferro-, and A-, C-, and G-type antiferromagnetic configurations. We have performed electronic structure calculations for the experimentally observed orthorhombic structure as well as the hypothetical cubic structure. Our results are analyzed with the help of total, site-, spin-, and orbital-projected density of states. The total-energy studies show that CaRuO₃ stabilizes in the G-type antiferromagnetic state. The octahedral tilting owing to the relatively small radius of Ca²⁺ leads to weak hybridization between Ru 4d and O 2p. This weak hybridization along with exchange splitting causes a pseudogap-like feature close to the Fermi level, which should stabilize G-type antiferromagnetic ordering in CaRuO₃. However, powder neutron diffraction data on CaRuO₃ taken at 8 and do not show any magnetic peaks, implying that CaRuO₃ exhibits a spin-glass-like state with dominant short-range antiferromagnetic interaction. The calculated magnetic ground state of Sr_1−xCa_xRuO₃ is found to be consistent with the experimental findings. We have also calculated optical spectra as well as X-ray and ultra-violet photoemission spectra and Ru and O K-edge X-ray absorption spectra for G-type CaRuO₃ and found good agreement with available experimental spectra.     

Direct Blue 71 staining as a destaining‐free alternative loading control method for Western blotting

In Western blotting, a suitable loading control is indispensable for correcting errors in the total amount of loaded protein. Immunodetection of housekeeping proteins and total protein staining have traditionally been used as loading control methods. Direct Blue 71 (DB71) staining—a novel, sensitive, dye‐binding staining method compatible with immunodetection—may offer advantages over these traditional loading control methods. Three common neuroscientific samples (human plasma, human oligodendrocytes, and rat brain) were employed to assess DB71 staining as a loading control method for Western blotting. DB71, CBB, one traditional housekeeping protein, and one protein of interest were comparatively assessed for reliability and repeatability and linear dynamic range over 2.5–40 μg of protein loaded. DB71's effect on the reliability and repeatability and linear dynamic range of immunoreaction were also assessed. Across all three sample types, DB71 was either equivalent or superior to CBB and housekeeping protein‐based methods in terms of reliability and repeatability and linear dynamic range. Across all three sample types, DB71 staining did not impair the reliability and repeatability or linear dynamic range of immunoreaction. Our results demonstrate that the DB71 staining can be used as a destaining‐free alternative loading control method for Western blotting.     

Eight new polyketide metabolites from the fungus Pestalotiopsis vaccinii endogenous with the mangrove plant Kandelia candel (L.) Druce

Seven new prenylated phenols, vaccinols A–G (1–7), and one new naphthalene derivative, vaccinal A (8), together with five known phenol derivatives (9–13) were isolated from Pestalotiopsis vaccinii (cgmcc3.9199) endogenous with the mangrove plant Kandelia candel (L.) Druce (Rhizophoraceae). The new structures were established on the basis of spectroscopic analysis, optical rotation, CD spectra, quantum ECD calculations. Furthermore, the absolute configuration of compound 1 was unambiguously elucidated by single-crystal X-ray diffraction analysis using the Flack parameter. Most new compounds were tested for their antiviral (EV71), cytotoxic, antituberculosis, and anti-inflammatory effects. Among them, compound 8 exhibited in vitro anti-enterovirus 71 (EV71) with IC₅₀ value of 19.2 μM. In addition, 8 showed potent COX-2 inhibitory activity with IC₅₀ value of 1.8 μM.     

Isobaric analogue resonances in71As through proton elastic scattering on70Ge

The analogues of the low-lying levels in⁷¹Ge have been observed as resonances in the compound nucleus⁷¹As through proton elastic scattering on⁷⁰Ge in the energy rangeE _p=3.5 to 5.3 MeV. The excitation functions cover the analogue resonances corresponding to states upto 2.3 MeV excitation in⁷¹Ge. The sub-structures in the 5.06 MeV resonance, first observed by Temmer and co-workers have been confirmed in the present experiment. The present investigation reveals similar sub-structures in the 4.13 MeV resonance lending further support to the existence of intermediate structure near an isobaric analogue resonance. The resonance parameters and the spectroscopic factors (for the corresponding parent states) have been extracted. The results are compared with the information available from the⁷⁰Ge(d, p)⁷¹Ge reaction.