Using lanthanoid complexes to phase large macromolecular assemblies

Lanthanoid ions exhibit extremely large anomalous X-ray scattering at their L(III) absorption edge. They are thus well suited for anomalous diffraction experiments. A novel class of lanthanoid complexes has been developed that combines the physical properties of lanthanoid atoms with functional chemical groups that allow non-covalent binding to proteins. Two structures of large multimeric proteins have already been determined by using such complexes. Here the use of the luminescent europium tris-dipicolinate complex [Eu(DPA)(3)](3-) to solve the low-resolution structure of a 444 kDa homododecameric aminopeptidase, called PhTET1-12s from the archaea Pyrococcus horikoshii, is reported. Surprisingly, considering the low resolution of the data, the experimental electron density map is very well defined. Experimental phases obtained by using the lanthanoid complex lead to maps displaying particular structural features usually observed in higher-resolution maps. Such complexes open a new way for solving the structure of large molecular assemblies, even with low-resolution data.     

Effect on DNA synthesis of rice embryo irradiated by laser

Rice embryos(Oryza,sativa L.cv.Zhen Shan 97)were irradiated with N_2laser at λ=0.3371μm and Nd:glass laser at λ=1.06μm in different dosages(e.g.30 min.60 min and 9 pulse,15 pulse)respectively.The change of DNA synthesis rate of embryos inthe early germinating period at 25°C were analysed with(~3H-TdR)incorporation method.The results indicated that the unschedule DNA synghesis were found in the embryos whichwere irradiated either by 30 min and 60 min of N~2 laser or 9 pulse and 15 pulse of Nd:glass laser     

Solution structure of the histidine-containing phosphocarrier protein fromStaphylococcus carnosus

The solution structure of histidine-containing phosphocarrier protein fromStaphylococcus carnosus was determined by two- and three-dimensional nuclear magnetic resonance (NMR) spectroscopy on uniformly¹⁵N-enriched protein. The main structural element is an antiparallel β-pleated sheet with four strands A, B, C, and D arranged with the topology A-D-B-C. Strand A comprises residues 2 to 8, strand B residues 32 to 37, strand C reidues 40 to 43, and strand D residues 59 to 66. Three right-handed helices are arranged on top of the β-pleated sheet. Helix a reaches from residue 16 to 29, helix b from residue 48 to 53, and helix c from residue 72 to 83. Strands B and C of the β-pleated sheet are connected by a type II turn. The hydroxyl proton of Ser-31 is exchanging with the solvent so slowly that cross peaks can be detected in two-dimensional NMR spectra based on homonuclearJ-couplings. The imidazole ring of the active-center His-15, which is partly charged in the structure determined at pH 7.2, is located above the N-terminal end of helix a, perpendicular to its axis. The N^δ1 atom of His-15, accepting the phosphoryl from enzyme I, is exposed to the solvent.     

1+1维和2+1维空间上定向聚合问题的数值研究

对1+1和2+1维空间上定向聚合问题的数值模拟结果显示,任意有限温度下的横向涨落和自由能涨落在聚合尺度t较大时都将趋于零温度时强耦合下的结果:Δx∝t^ν和ΔF∝t^ω(d=1+1时,ν=2/3,ω=1/3;d=2+1时,ν≈0.6,ω≈0.2).有限温度下,由于1+1维和2+1维空间上的比热C(T,t)∝t和1+1维空间上的熵涨落ΔS∝t^1/2,1+1维空间上的系综能量涨落和内能涨落以及2+1维空间上的系综能量涨落均趋于t^1/2而远强于自由能涨落.在2+1维空间上,定向聚合问题有发生相变的迹象:当熵涨落达到其最大值时,单位聚合尺度的熵涨落和内能涨落在聚合尺度t→∞时,可能会由低温下趋于有限值(零温度除外)转变为高温下趋于零 关键词： 定向聚合 表面生长现象 Kardar-Parisi-Zhang方程     

Adsorption and coadsorption of carbon monoxide and hydrogen on Pd(111)

The adsorption and coadsorption of CO and H₂ have been studied by means of thermal desorption (TD) and electron stimulated desorption (ESD) at temperatures ranging from 250 to 400 K. Three CO TD states, labelled as β₂, β₁, and β₀ were detected after adsorption at 250 K. The population of β₂ and β₁ states which are the only ones observed upon adsorption at temperatures higher than 300 K was found to depend on adsorption temperature. The correlation between the binding states in the TD spectra and the ESD O⁺ and CO⁺ ions observed was discussed. Hydrogen is dissociatively adsorbed on Pd(111) and no ESD H⁺ signal was recorded following H₂ adsorption on a clean Pd surface. The presence of CO was found to cause an appearance of a H⁺ ESD signal, a decrease of hydrogen surface population and an arisement of a broad H₂ TD peak at about 450 K. An apparent influence of hydrogen on CO adsorption was detected at high hydrogen precoverages alone, leading to a decrease in the CO sticking coefficient and the relative population of CO β₂ state. The coadsorption results were interpreted assuming mutual interaction between CO and H at low and medium CO coverages, the “cooperative” species being responsible for the H⁺ ESD signal. Besides, the presence of CO was proved to favour hydrogen penetration into the bulk even at high CO coverage when H atoms were completely displaced from the surface.     

HgMnTe磁性二维电子气自旋-轨道和交换相互作用研究

通过分析不同温度下HgMnTe磁性二维电子气Shubnikov-de Hass（SdH）振荡的拍频现象，研究了量子阱中电子自旋 轨道相互作用和spd交换相互作用.结果表明：（1）在零磁场下，电子的自旋 轨道相互作用导致电子发生零场自旋分裂；（2）在弱磁场下，电子的自旋-轨道相互作用占主导地位，并受Landau分裂和Zeeman分裂的影响，电子的自旋分裂随磁场增加而减小；（3）在高磁场下，电子的spd交换相互作用达到饱和，电子的自旋分裂主要表现为Zeeman分裂.实验证明了当电子的Zeeman分裂能量与零场 关键词： 磁性二维电子气 Zeeman分裂 Rashba自旋分裂     

Molecular beam epitaxy of organic films investigated by high resolution low energy electron diffraction (SPA-LEED): 3,4,9,10-perylenetetracarboxylicacid-dianhydride (PTCDA) on Ag(1 1 1)

A detailed investigation of the multilayer growth of PTCDA on Ag(1 1 1) by high resolution LEED (SPA-LEED) is reported. The first two monolayers are closed and exhibit a structure, which is commensurate with respect to the underlying Ag(1 1 1) surface. The lattice parameters are close to those of the (1 0 2) plane of the β bulk phase of PTCDA, with deviations ?2%. The vertical stacking of the second layer with respect to the first monolayer (observed at 300 K) corresponds to that in the β bulk phase of PTCDA. At high growth temperatures (400 K), Stranski-Krastanov growth occurs from the third monolayer onward, and PTCDA clusters, preferentially with few well defined facets, grow. The structure of the clusters is that of the thermodynamically more stable α bulk phase of PTCDA. Contrary, at low growth temperatures (200 K), the growth proceeds in the Frank van der Merve mode, with several open layers. From slope selection there is evidence for an Ehrlich-Schwoebel barrier. The lateral packing of the PTCDA grown at low temperatures corresponds within error to that of the β bulk phase. The low temperature structure and morphology is meta-stable. Short annealing at 300 K flattens the PTCDA film, and prolonged annealing at 400 K causes the film to adapt the structure and morphology obtained directly at 400 K growth temperature. Presumably, the formation of layers with a β-phase-like lattice at low temperature is due to the better fit of the β phase, compared to the α phase lattice, to the underlying commensurate monolayer. However, at high growth temperatures, the thermodynamically more stable α phase grows, reducing the area of lattice misfit to the underlying commensurate first two layers by formation of clusters.     

Anomalous hybridization in the In-rich InAs(0 0 1) reconstruction

The surface bonding arrangement in nearly all the confirmed reconstructions of InAs(0 0 1) and GaAs(0 0 1) have only two types of hybridization present. Either the bonds are similar to those in the bulk and the surface atoms are sp³ hybridized or the surface atoms are in a tricoordinated bonding arrangement and are sp² hybridized. However, dicoordinated In atoms with sp hybridization are observed on the InAs(0 0 1), In-rich, room temperature and low temperature surfaces. Scanning tunneling microscopy (STM) images of the room temperature (300 K) InAs(0 0 1) surface reveal that the In-rich surface reconstruction consists of single-atom rows with areas of high electron density that are separated by ∼4.3 Å. The separation in electron density is consistent with rows of undimerized, sp hybridized, In atoms, denoted as the β3′(4 × 2) reconstruction. As the sample is cooled to 77 K, the reconstruction spontaneously changes. STM images of the low temperature surface reveal that the areas of high electron density are no longer separated by ∼4.3 Å but instead by ∼17 Å. In addition, the LEED pattern changes from a (4 × 2) pattern to a (4 × 4) pattern at 77 K. The 77 K reconstruction is consistent with two (4 × 2) subunit cells; one that contains In dimers on the row and another subunit cell that contains undimerized, sp hybridized, In atoms on the row. This combination of dimerized and undimerized subunit cells results in a new unit cell with (4 × 4) periodicity, denoted as the β3(4 × 4) reconstruction. Density functional theory (DFT) and STM simulations were used to confirm the experimental findings.     

Photoluminescence and excitation spectra of the SrO:Bi3+ phosphor

The details of the photoluminescence and excitation spectra are obtained at various temperatures between 6 and 300 K. At low temperatures, the emission band originating from the ³A_1u(sp) → ¹A_1g(s²) transition in a Bi³⁺ ion shows vibrational structure. In the excitation spectra, the A- and C-bands are observed at 365 and about 250 nm, respectively.     

β-SiC(001)-(2×1)表面结构的第一性原理研究

利用缀加平面波加局域轨道(APW+LO)的第一性原理方法计算了β-SiC(001)-(2×1)表面的原子及电子结构. 原子结构的计算结果表明，与Si(001)-(2×1) 表面的非对称性Si二聚体模型不同，β-SiC(001)-(2×1)表面为对称性的Si二聚体模型，其二聚体的Si原子间键长也较大，为0.269nm. 电子结构的计算结果表明，在费米能级处有明显的态密度，因此β-SiC(001)-(2×1)表面呈金属性. 在带隙附近存在四个表面态带,其中的两个占有表面态带已由价带的同步辐射光电子能谱实验得到证实. 关键词： 碳化硅 缀加平面波加局域轨道方法 原子结构 电子结构     

Generation and relaxation of reactive stresses in Cu-Al-Ni shape-memory alloy

Reactive stresses in Cu-Al-Ni shape-memory single crystals are experimentally determined on constrained samples heated at a constant rate in the temperature range 293–800 K. At temperatures up to 600 K, the stresses increase with temperature. At higher temperatures, they begin to decrease as a result of the decomposition of the β-phase and vanish at 800 K. The theory of diffuse martensitic transformation is used to calculate the reactive stresses, including the case when the volume fraction of the β-phase decreases, at temperatures above 600 K.     

An acoustic study of the mixed-alkali-mixed phase β-aluminas. Part 1: Naβ″/βAl2O3, Kβ″/βAl2O3 and (Na0.6K0.4)β″/βAl2O3

The relative attenuation of compressional sound waves of frequencies 10–60 MHz in mixed alkali (Na/K) mixed phase (β″/β)-aluminas is reported for temperatures 80–550 K. The internal friction peaks shift to higher frequencies at higher temperatures and are attributed to Na⁺ interactions in Naβ″/β alumina and Na⁺ and K⁺ in NaK β″/β alumina. The broad attenuation peaks occuring at low temperatures (< 300 K) and at higher temperatures (> 400 K) suggest multi-relaxation processes giving a distribution of activation energies. The estimated average activation energy for Na⁺ diffusion in Naβ″/βAl₂ O₃ at low temperatures and high temperatures is 0.183 eV and 0.387 eV respectively. In the NaK β″/βAl₂o₃ samples, the Na ⁺ values were 0.239 eV and 0.386 eV, respectively. The estimated average activation energies for K⁺ diffusion at low and high temperatures in the Kβ″/β-alumina samples were 0.269 eV and 0.371 eV and for K⁺ in the NaK β″/β samples, 0252 eV and 0.339 eV, respectively. The low temperature attenuation peaks were interpreted in terms of ionic interaction in the bulk and the high temperature peaks were related to interactions in the grain boundaries. The measured activation energies confirmed these interpretations. A reversal of the temperature appearance of the Na⁺ and K⁺ high temperature peaks in the NaKβ″/βAl₂ O₃ is explained by the disorder at the grain boundaries.     

Assignments of Nonexchangeable Proton Resonances and the Solution Structures of d–TGGGT

In this paper, we report the studies of the solution structures of synthetic pentadeoxyribonucleotide d-TGGGT(NH₄ ⁺ salt) using 2D–NMR. The 1H–NMR experiments with different temperatures and concentrations reveal an equilibrium between single strand and aggregation. In the experimental condition(22°C, 13mmol/ L), the cross peaks in the COSY spectrum are mainly from single strand, and the spin systems of sugar resonances of this component can be assigned. In contrast, the cross peaks in the NOESY spectrum mainly come from aggregation and the sequential assignments of bases, sugar 1′, 2′ and 2″ protons can be carried out. From NOE connectivities, it is obvious that the aggregation adopts a right–handed helix conformation. It is suggested that the aggregation in our experiment corresponds to the tetramolecular complex.     

ac conductivity of Na-Ag β” -alumina polycrystalline samples

The results of ac conductivity measurements carried out on ceramic samples of Li₂O and NiO-Li₂O-doped β7rdquo;-alumina with Na⁺, Ag⁺ and Na⁺ -Ag⁺ mobile ions are presented. The modifications of doping only slightly influenced either bulk or grain boundary conductivity in Na β” -alumina. The activation energies of conduction in Na β”-alumina equal to 0.28 eV at low temperatures decreased to 0.14–0.15 eV at temperatures above 200°C. The Arrhenius plots for Ag β” -alumina were found to be linear in whole 20–450°C temperature range with the activation energies of 0.19 eV (Li₂O) and 0.24 eV (NiO-Li₂O). The conductivity measurements done on partially exchanged samples revealed the presence of the mixed alkali effect.     

12C6+离子束诱变水稻籽粒Cd低积累突变体的研究

筛选低Cd积累水稻品种是控制稻米Cd含量的最直接有效的办法之一。本研究对重离子辐照的中籼9311（Oryza sativa L）后代,利用石墨炉原子吸收光谱法检测,对曝露在不同Cd含量（含Cd量为19.8 mg·kg-1镉池和含Cd量为2.721 mg·kg-1的污染农田）中进行M2代Cd低吸收突变单株筛选,研究重离子辐照水稻籽粒Cd吸收的突变率以及比较不同Cd含量曝露下的筛选效率。结果显示:重离子辐照可以诱发水稻籽粒Cd积累量的变异,其突变频率为3:398%±0:009（P<0:05）;初筛获得78株籽粒较WT Cd吸收差异显著的突变体,进一步对其种植,分析M3代籽粒Cd含量。结果表明,重离子辐照诱变水稻突变体突变率高,遗传稳定,高Cd含量曝露下筛选效率更高,突变体水稻籽粒中Cd的积累存在着明显的差异,产生Cd积累差异的基因型丰富;相关性分析表明,M2代和M3代糙米中Cd含量存在显著相关性r=0:8210（P<0:01）,M3代获得23株遗传性良好且Cd含量差异显著的突变体水稻,其中Cd含量低于国家标准0.2 mg·kg-1突变体3株。表明筛选出的水稻突变体,在吸收转运Cd的过程中,存在差异且能稳定遗传,可供进一步研究培育籽粒Cd低积累的水稻品种。Screening low-cadmium rice cultivar is the most directly and effective way to control cadmium content in rice grain. We screened low-cadmium rice mutant of M2 generation exposed in different Cd concentration (the pool contaminated with 19.8 mg Cd·kg-1 and the paddy field contaminated with 2.721 mg Cd·kg-1) from rice mutants(9311, Oryza sativa L) induced by 12C6+ ion beam, and explored the mutation rate of 12C6+ ion beam irradiation and the screening efficiency of different Cd concentration exposed, all of the detections were carried out by Graphite Furnace Atomic Absorption Spectrum(GFAAS). The results showed that the mutation rate is 3:398%±0:009(P<0:05) and high Cd concentration exposed has more efficiency in screening low-Cd rice mutant. Correlation analysis show significant correlation of Cd in rice grain between M2 and M3 generations, r=0:8210(P<0:01); We obtained 23 mutant strains with significant Cd concentration difference and they had a great genetic stability. Among them, three strains' Cd concentrations were lower than the national standard (0.2 mg·kg-1). They can used for further study on cultivating new rice varieties of low Cd accumulation in rice gain.     

用磁分析法观察某些铁-镍-铝合金的脱溶过程

用热磁分析方法较仔细地观测了Fe-Ni-Al三元系合金沿β+β′两相区内某一结线上的几个不同成分的合金样品。淬火所得的成分接近Fe₂NiAl的过饱和固溶体在较高温度(～850℃)分解甚快,在一分钟内脱溶基本上完成。在850℃分出的β′相还含铁约35at.％,其居里点在400℃附近。在850℃经短时间回火继以水淬的合金,在600—700℃再经适当的回火,则首次回火所生成的β′相继续迅速分解,在不超过十分钟内损失大量的铁而变成非铁磁性的;其在室温的H_c可增到500奥斯特。这和Б.Г.Лившнц所提出的“继续脱溶”的假设相符。磁性观测的结果证明:β′相的继续脱溶是“可逆的”,就是说,把曾在600—700℃回火的合金重热至850℃时β′相能在几分钟内恢复850℃的平衡成分。Fe₂NiAl过饱和固溶体在较低温度(70O℃以下)分解极慢,并且其过程是明显地“不均匀”的。因此,这种合金不能通过高温淬火继以较低温度(600—700℃)回火的处理来获得高H_c的事实可以用单畴粒子的理论加以解释。     

不同温度下乙醇电氧化过程的原位红外光谱研究

直接乙醇燃料电池因其优异的性能备受关注。乙醇的电催化氧化并非简单的燃烧,涉及多种催化反应过程。乙醇的C-C键断裂选择性低,以及乙醇氧化中间产物C1分子由于没有及时氧化离开催化剂表面而造成的催化剂中毒,是制约其应用的瓶颈问题。电化学原位红外光谱是在电化学反应的同时,原位采集反应物种特定官能团的振动信息,可在分子水平揭示反应过程,推测反应机理。不同温度条件下乙醇电氧化过程的研究,有助于合理的设计高性能乙醇燃料电池催化剂。选用高性能的PtRh/RGO催化剂,结合同位素示踪法和电化学原位红外光谱技术,研究了不同温度下乙醇的电氧化过程。循环伏安研究表明,乙醇电氧化性能及其C-C键断裂的程度为PtRh/RGO (45℃)>PtRh/RGO (25℃)>商业Pt/C。电化学原位红外光谱从分子水平跟踪了乙醇的电氧化过程,观察到随着电位的增加, CO2, CO,-CH3,-C-O特征峰的强度逐渐增加。CO2和CH3COOH分别归属于乙醇完全氧化和不完全氧化的终产物,因此红外光谱中两种物质特征峰积分面积的比值[CO2]/[CH3COOH]可做为CO2选择性的量度。用来定量标定CH3COOH的特征峰是位于1 280 cm-1的-C-O振动峰,但对于PtRh/RGO催化剂的红外光谱而言,它的乙酸特征峰振动峰位1 280 cm-1附近出现1 214 cm-1甲醇衍生物的振动峰,通过一种反射红外光谱与标样透射红外光谱差减扣除叠加峰方法,定量计算了叠加峰中1 280 cm-1特征峰的积分强度,从而计算出PtRh/RGO的CO2选择性。结果表明对比25℃时, 45℃下PtRh/RGO具有更高的选择性, 0.3 V时提高48.1%, 0.5和0.6 V时略有提高, 0.4 V时降低,这可能是乙醇中β-C和水中OH竞争吸附所致。在两种反应温度条件下, CO2选择性都在电位高于0.4 V时呈现下降趋势。为了进一步研究CO2来源于α-C或β-C的完全氧化,使用同位素标记的13CH312CH2OH做为探针分子,通过电化学原位红外光谱研究了25和45℃下PtRh/RGO电极上乙醇电氧化过程。结果表明,β-C完全氧化为CO2的起始电位与温度无关,都为0.3 V。通过用13CO2/12CO2积分面积的比值定量分析,发现45℃下,该比值在电位0.3~0.5 V时相比于25℃下分别增加0.11, 0.18和0.22,表明随着温度或电位的增加,β-C完全氧化的选择性增加。     

Relativistic quantum statistical mechanics in two-dimensional space-time

We construct for a boson field in two-dimensional space-time with polynomial or exponential interactions and without cut-offs, the positive temperature state or the Gibbs state at temperature 1/β. We prove that at positive temperatures i.e. β<∞, there is no phase transitions and the thermodynamic limit exists and is unique for all interactions. It turns out that the Schwinger functions for the Gibbs state at temperature 1/β is after interchange of space and time equal to the Schwinger functions for the vacuum or temperature zero state for the field in a periodic box of length β, and the lowest eigenvalue for the energy of the field in a periodic box is simply related to the pressure in the Gibbs state at temperature 1/β.     

水稻高压诱变与突变体的ISSR分析

 以两个水稻（Oryza sativa L.）品种粤香占和毕粳38号为材料,通过高压处理,获得了5个当代突变体和4个后代分离出的突变体。ISSR分析表明高压可以诱导水稻产生变异,这种变异是由于遗传物质（DNA）的改变所引起的。由高压诱变产生的水稻突变体不仅在当代出现,而且具有很高的遗传稳定性,突变体与原种的遗传差异越大,其稳定性越高。     

Collapse temperature of bacterial suspensions: the effect of cell type and concentration

The characterisation of the physical state of frozen and freeze dried biological products delivers powerful information for freeze-drying process optimisation. The influence of lactic acid bacterial cell size, shape and concentration on collapse temperature of concentrated bacterial suspensions was investigated. Lactobacillus bulgaricus (long rods), and Streptococcus thermophilus (small spherical cells) were used as cellular models for this study. Whatever the strain, when lactic acid bacterial cells were added to protective solutions, the collapse temperature increased, thus allowing the use of higher sublimation temperatures during primary drying than expected from the protective medium alone. Moreover, the higher the cell concentration, the greater the effect, linear relationships existing between the collapse temperatures and the total dried matter. Cells of both strains gave a kind of robustness to the freeze-dried product, but the increase observed in collapse temperature was considerably higher (3 - 5 degree C) for L. bulgaricus compared to S. thermophilus. This result was ascribed to the different size and shape of the strains.