Determining a helical protein structure using peptide pixels

The residual dipolar coupling-periodicity planarity correlation makes it possible to determine peptide plane orientations in regular periodic protein secondary structure elements. Each peptide plane orientation represents a "pixel" of protein structure, and is expressed in terms of three angles referred to as tilt, phase, and pitch angles. In this report, we present the novel "3P" (periodicity, planarity, and pixels) method that allows one to determine secondary and tertiary structure of alpha-helical proteins. We demonstrate the 3P method by determining the structure of domain 1 of the receptor-associated protein (RAP) to a backbone accuracy of 1.0 Angstrom using RDCs measured in a single alignment medium, together with a minimal number of NOE distance restraints, using a new Xplor-NIH module.     

Giant magnetocurrent in triple-barrier ferromagnetic resonant-tunneling diode with different magnetization configurations

The authors theoretically investigate a triple-barrier ferromagnetic resonant-tunneling diode composing nonmagnetic couple wells and three GaMnN magnetic barriers, in which two kinds of antiparallel configurations are formed by changing the relative orientation of magnetization in the barriers. Based on a two-band model, the achievement of large magnetocurrents in the resonant bias regime is proposed under an optimal magnetization configuration. The magnetocurrents in both antiparallel configurations of triple-barrier system are much higher than that in double-barrier structure.     

The magnetic entropy change in the double perovskite La2NiMnO6 with strong spin–phonon coupling

The magnetocaloric effect and the critical behavior of La₂NiMnO₆ are investigated by measurement of the magnetization around $T_C$. The magnetic entropy change $\left|\Delta S\right|$ of La₂NiMnO₆ for a field change of 0–45 kOe near the Curie temperature is about 5% of the theoretical expectation. The critical behavior of the La₂NiMnO₆ deviates from the mean field theory. These abnormal phenomena are understood in the context of the strong spin–phonon coupling in La₂NiMnO₆. It is suggested that a method of modulating this coupling would enhance the magnetic entropy change greatly, which makes the La₂NiMnO₆ a promising candidate for room-temperature magnetic refrigeration.     

Structure and room-temperature ferromagnetism of Co-doped ZnO DMS films

Co-doped ZnO diluted magnetic semiconductor films were prepared on Si(100) substrates by magnetron sputtering system and the Co content varies from 0.01 to 0.15. The X-ray diffraction results showed ZnO of the wurtzite structure. The ferromagnetism was observed at room temperature. The X-ray near-edge absorption spectroscopy revealed that Co substitutes for Zn²⁺ ions in the valence of +2 state in the Co-doped ZnO films.     

Crystallization and conductivity of 2CaO–La2O3–5P2O5 glass–ceramic with Al2O3 addition

Al₂O₃ was added to a 2CaO–La₂O₃–5P₂O₅ metaphosphate, to replace 10% of the Ca²⁺ ions by Al³⁺, forming a phosphate with the nominal composition 1.8CaO–0.1Al₂O₃–La₂O₃–5P₂O₅. The effect of Al₂O₃ addition and heat treatment on the microstructure and conductivity of the resulting glass–ceramics was investigated by XRD, SEM, TEM, and AC impedance spectroscopy. Upon transformation from glass to glass–ceramic, conductivities increased significantly. The glasses were isochronally transformed at 700 and at 800 °C for 1 h or 5 h, in air, following heating at 3 or 10 °C/min. With Al₂O₃ addition, after a heat treatment at 700 °C, 100–300 nm nano-domains of LaP₃O₉ crystallized from the glass matrix. Annealing at 800 °C produced a further order of magnitude conductivity increase for the Al-free glass, but less so for the Al-containing glass.     

具有时间分辨能力的强流电子束束剖面测量系统

 高能强流电子束的束参数测量是加速器研制过程中重要的一项测量工作,由于光学渡越辐射具有时间响应快、分辨率高等特点而被用于测量电子束的具有时间分辨能力的束剖面、发散角、能量等多个参数;通过电子束束参数的时间分辨测量则能够了解电子束产生、输运中的问题,非常有利于加速器的研究与调试。一种具有时间分辨能力的、利用光学渡越辐射进行高能强流电子束束斑测量的系统在中国工程物理研究院被建立起来,并在12 MeV LIA的电子束束斑的测量中用于电子束传输研究,该系统拍摄图像的间隔时间最小为10 ns,最小的曝光时间为3 ns,具有一次可以拍摄8幅图像的能力,并获得了12 MeV LIA约100 ns内相应的时间分辨的束斑变化情况,观察到了一些过去未观察到的现象,为加速器的研究提供了又一个新测试方法。     

Analysis of Ωb? (bss) and Ωc0 (css) with QCD sum rules

We calculate the masses and the pole residues of the heavy baryons Ω _c ⁰(css) and Ω _b ⁻(bss) with the QCD sum rules. The numerical values  GeV (or  GeV) and  GeV (or  GeV) are in good agreement with the experimental data.     

利用单幅同轴菲涅耳数字全息图重构物光波面

在数字全息研究中,为了充分利用CCD器件有限的卒间带宽积,常采用同轴全息记录.然而用同轴全息图再现时,再现物光波和共轭物光波是混在一起无法分开的.有效消除同轴全息图再现光波场中的共轭像是数字全息应用中的一项关键技术.基于菲涅耳衍射运算和逆运算,提出一种用同轴数字全息图重构物光波面的迭代算法.该方法利用同轴全息图再现时,再现物光波和共轭物光波衍射特性的不同来剔除共轭物光波成分,从而将再现物光波成分有效分离出,实现单幅同轴全息图的物光波面数值重构.计算机模拟实验证明了该方法简单易行.     

Preparation of phosphors AEu(MoO4)2 (A?=?Li, Na, K and Ag) by?sol-gel method

A series of double molybdates phosphors AEu(MoO₄)₂ (A = Li, Na, K and Ag) have been prepared by sol-gel method. Their crystal structure and luminescent properties have also been investigated in a comparable way. The crystallization processes of the phosphor precursors were characterized by X-ray diffraction (XRD) and thermogravimetry-differential thermal analysis (TG-DTA). Field emission scanning electron microscopy (FE-SEM) was also used to characterize the shape and size distribution of the phosphors. Samples except KEu(MoO₄)₂ showed tetragonal scheelite structure in the range of our experiments, and no phase transition appeared. Phosphor KEu(MoO₄)₂ possessed two structures, and the phase transition took place at about 800°C. All samples with high purity could be obtained at about 500°C for 5 hours, and they all showed intense red light peaked at 616 nm originated from ⁵D₀→⁷F₂ emission of Eu³⁺ under the excitation of 465 nm or 394 nm light. The excitation spectra of phosphors AEu(MoO₄)₂ (A = Li, Na, and K) are composed of a strong broad charge transfer (CT) band and some sharp lines, and the relative intensity of CT band, the two strongest absorption lines at 395 nm and 465 nm are comparative, so these three phosphors are good red phosphor candidates for violet or blue LEDs. For the excitation spectrum of phosphor AgEu(MoO₄)₂, intensities of CT band and the absorption line at 395 nm are much weaker than that of line at 465 nm, thus phosphor AgEu(MoO₄)₂ is only suit for GaN-based blue LED.     

Improvement of the relative entropy based protein folding method

The “relative entropy” has been used as a minimization function to predict the tertiary structure of a protein backbone, and good results have been obtained. However, in our previous work, the ensemble average of the contact potential was estimated by an approximate calculation. In order to improve the theoretical integrity of the relative-entropy-based method, a new theoretical calculation method of the ensemble average of the contact potential was presented in this work, which is based on the thermodynamic perturbation theory. Tests of the improved algorithm were performed on twelve small proteins. The root mean square deviations of the predicted versus the native structures from Protein Data Bank range from 0.40 to 0.60 nm. Compared with the previous approximate values, the average prediction accuracy is improved by 0.04 nm. Contributed equally to this work Supported by the National Natural Science Foundation of China (Grant No. 30670497), the Beijing Natural Science Foundation (Grant No. 5072002), and the Specialized Research Foundation for the Doctoral Program of Higher Education (Grant No. 200800050003)