Synthesis, Structure and Geometrical Calculation of a Novel Co-crystal of {[4-Bromo-2-(benzimidazol-2-yl)phenolato][2- (1-butylbenzimidazol-2-yl)phenolato]zinc(Ⅱ)] and Bis[μ-2- (1- butylbenzimidazol-2-yl)phenolato]- 1κN3: 2κO; 1κO:2κN3-bis{[2-(1-butylbenzimidazol-2-yl)phenolato-κ2N3,O]zinc(Ⅱ)}

The title compound has been synthesized and characterized crystallographically. It is a co-crystal consisting of two different neutral zinc(Ⅱ) complexes with Hbpbm (Hbpbm = 4-bromo-2-(benzimidazol-2-yl)phenol) and Hnpbm (Hnpbm = 2-(1-butylbenzimidazol-2-yl)phenol).One is a monomeric mixed-ligand complex of [Zn(bpbm)(npbm)] 1 and the other a dimer of[Zn2(npbm)4] 2 with their ratio of 2:1. Thus the overall formula for the title compound is 21·2.Adjacent 1 and 2 are connected to each other by intermolecular hydrogen bonding interactions in the lattice. The crystal data: monoclinic, space group P21/c, a= 15.0141(12), b = 20.9941(17), c =18.4686(15) (A), β = 97.445(2)°, V= 5772.4(8) (A)3, Mr= 2429.68, Z = 2, Dc = 1.398 g/cm3,μ = 1.579mm-1, F(000) = 2504, R = 0.0637 and wR = 0.1771 for 6464 observed reflections (I＞ 2σ(Ⅰ)). The geometrical structure for 1 has also been theoretically optimized and compared with the experimental one.     

Operating characteristics and energy distribution in transferred plasma arc systems

A specially designed plasma chamber was constructed to study the operating characteristics of a dc plasma-transferred arc of argon, struck between a fluid convective cathode and a water-cooled anode. The arc voltage increased markedly with arc length and with an increase in the inlet velocity of the argon flow past the cathode tip, and much less with an increase in current. Radiation from the plasma column to the chamber walls and transfer of energy to the anode were the two principal modes of transfer of the arc energy. The former was dominant in the case of long arcs and at high inlet argon velocities. At the anode, the major contribution was from electron transfer, which occurred on a very small area of the anode (～5 mm in diameter). Convective heat transfer from the plasma was somewhat less. In all cases, the arc energy contributions to cathode cooling and to the exit gas enthalpy were small. From total heat flux and radiative heat transfer measurements, it was estimated that the plasma temperature just above the anode was in the range 10,000–12,000 K. Preliminary experiments with an anode consisting of molten copper showed that the arc root was no longer fixed but moved around continuously. The arc was othwewise quite stable, and its operating characteristics differed little from those reported for solid anodes, in spite of the greater extent of metal vaporization.     

RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS

It is important to know the rate of intra-molecular contact formation in proteins in order to understand how proteins fold clearly. Here we investigate the rate of intra-molecular contact formation in short two-dimensional compact polymer chains by calculating the probability distribution p(r) of end-to-end distance r using the enumeration calculation method and HP model on two-dimensional square lattice. The probability distribution of end-to-end distance p(r) of short two-dimensional compact polymers chains may consist of two parts, i.e. p(r) = p1(r) p2(r), where p1(r) and p2(r) are different for small r. The rate of contact formation decreases monotonically with the number of bonds N, and the rate approximately conforms to the scaling relation of k(N) ∝ N-α. Here the value of α increases with the contact radius a and it also depends on the percentage of H (hydrophobic) residues in the sequences of compact chains and the energy parameters of εHH, εHP and εPP . Some comparisons of theoretical predictions with experimental results are also made. This investigation may help us to understand the protein folding.     

Analysis of Petroleum Distillates from Fire Debris Using Supercritical Fluid Extraction with a Two‐Level Orthogonal Array Experimental Design

A supercritical fluid extraction (SFE) method was developed in the present study as an effective sample pretreatment technique of petroleum distillates from fire debris. Three petroleum distillates were used as target analytes, including 95 unleaded gasoline, kerosene, and premium diesel. An orthogonal array (L16) experimental design was adopted to separately evaluate primary SFE experimental factors. The SFE efficiencies of petroleum distillates at various extraction conditions were examined and the optimized SFE conditions were identified. Experimental results demonstrated that the optimized SFE method not only provided an effective extraction method for the spiked sample, but also successfully recovered residues of petroleum distillates from fire debris.     

稀土改性L沸石在烃类催化裂化催化剂中的应用

采用离子交换的方法制备了一系列复合稀土（含La及Ce）质量分数不同的稀土改性超稳L沸石（RE-USL），以RE USL沸石替代质量分数为5%的REUSY作为催化裂化催化剂的活性组分,用标准轻油微反活性试验（MAT）评价了其催化性能,并同单一稀土元素改性USL沸石进行了对比。结果表明,一定量的复合稀土改性USL沸石的催化性能优于单一稀土（La或Ce）改性的USL沸石，在催化裂化催化剂中加入稀土改性USL沸石,可以降低汽油产品的烯烃质量分数；可以提高汽油的辛烷值。当复合稀土在RE USL沸石中的质量分数为0.4%左右时， 与不加稀土改性USL沸石催化剂相比较，催化剂的活性指数MAT提高3.6个单位，烯烃质量分数降低1.57个单位，研究法辛烷值（RON）提高2.08个单位，产品分布更合理。     

Anaerobic reduction of a sulfonated azo dye, Congo Red, by sulfate-reducing bacteria

The capacity for anaerobic decolorization of a sulfonated azo dye, Congo Red, by a strain of a sulfate-reducing bacterium was evaluated. After optimizing the growth rate of the bacteria on a simple carbon source and terminal electron acceptor pair, lactate and sulfate, respectively, the effect of the dye concentration on their growth rate was analyzed. The decolorization rate was affected by the dye concentration in the growth medium. The azo-bond cleavage mechanism of reductive decolorization with the formation of benzidine was consistent with the results, as this metabolite was identified by high-performance liquid chromatography. Several fractions of the culture medium, including lysed cell extracts, were examined for the capacity to reduce the azo dye. This reduction capacity was found in the culture medium in which the cells had previously grown. The results showed that the mechanism of reductive decolorization of this sulfonated azo dye was extracellular and nonenzymatic, consistent with the production of sulfide anion by the microorganisms while growing on lactate and sulfate. The sulfide anions were the cause of the reduction leading to the disappearance of color in the medium. To increase the rate of decolorization, the presence of ferrous ion was also necessary together with the lactate and sulfate substrates.     

分析化学样品前处理技术研究进展

综述分析化学中样品前处理技术的重要地位、分类及研究进展情况,并对超临界流体萃取等几种近年来发展较快的样品前处理新方法的原理及特点作了介绍。这些技术能够有效地减少分析过程中由样品前处理过程带来的误差,具有前处理快速、简便的优点,同时可与分析仪器联用,实现分析的自动化。     

Stereocontrolled Synthesis of Oligo(nucleoside phosphorothioate)s

Encouraging results obtained for modulation of gene expression by antisense oligonucleotides and their analogues have kindled hopes for a new generation of therapeutics against viral infections, cancer, and many other diseases. Among such analogues, oligo(nucleoside phosphorothioate)s (Oligo-S) have generally shown the highest efficacy in inhibiting the biosynthesis of “unwanted” proteins. The first clinical trials of antisense agents are now in progress using Oligo-S against genital warts and acute myeloid leukemia, and tests of Oligo-S against AIDS should follow soon. Nevertheless, their mechanism of action, internalization, cellular trafficking, subcellular localization, and interaction with cellular proteins is still poorly understood. It is assumed a priori that application involves rapid and efficient molecular recognition of target RNA by Oligo-S; however, the effects of the chirality of Oligo-S have so far been unappreciated, because Oligo-S has not yet been synthesized with stereocontrol. Indeed, the diastereomeric composition of Oligo-S has never been determined, primarily because of the lack of appropriate analytical methods. Since each of the diastereomers is a stereochemically unique chemical entity, questions arise as to which diastereomer is responsible for an observed biological response, including positive (curative) or possibly negative (toxic) side effects. In this review we intend provide a perhaps somewhat speculative assessment of the problems associated with the stereo-controlled synthesis of Oligo-S and to discuss the state-of-the-art in this field including strategies that may lead to Oligo-S of predetermined chirality. This article is not intended to discourage researchers from further studies of dia-steromeric mixtures of Oligo-S as potential pharmaceuticals. Throughout the history of medicinal chemistry numerous useful medicines were discovered, developed, and employed without the detailed knowledge of their structure. Indeed, the composition of the vaccines discovered by Pasteur is a subject of vigorous study still today.     

从能源产业发展和人才需求浅谈“能源化学”新工科改造

Based on building emerging engineering education of "energy chemistry", we investigated the state key petro-chemical enterprises according to the industrial development and the demand of professional talents. The research report summarizes, analyzes and discusses the current priority development fields of industry, the talent training status, curriculum structure and education program of the chemistry and chemical engineering in universities. The ideas on emerging engineering education of "energy chemistry" have been proposed, and it will be beneficial to building a novel education program for talents training, which integrates the principle of chemistry, energy conversion and information science, etc.     

Use of CF3,Br/Al,discharges for reactive ion etching of III-V semiconductors

The reactive ion etching of GaAs, InP, InGaAs, and InAlAs in CF₃Br/Ar discharges was investigated as a function of both plasma power density (0.56-1.3 W - cm^–2) and total pressure (10-40 mTorr) The etch rate of GaAs in 19CF₃Br:1Ar discharges at 10 m Torr increases linearly with power density, from 600 Å min^–1 at 0.56 W · cm^–2, to 1550 Å · min at 1.3 W · cm^–2. The in-based materials show linear increases in etch rates only for power densities above – 1.0 W · cm^–2. These etch rates are comparable to those obtained with CCI₂F₂:O₂ mixtures under the same conditions. Smooth surface morphologies and vertical sidewalls are obtained over a wide range of plasma parameters. Reductions in the near-surface carrier concentration in n-type GaAs are evident for etching with power densities of >0.8 W cm^–2, due to the introduction of deep level trapping centers. At 1.3 W· cm^–2, the Schottky barrier height of TiPtAu contacts on GaAs is reduced from 0.74 to 0.53 eV as a result of this damage, and the photoluminescent intensity from the material is degraded. Alter RIE, we detect the presence of both F and Br on the surface of all of the semiconductors. This contamination is worse than with CCl₂F₂-based mixtures. High-power etching with CF₃Br/Ar together with Al-containing electrodes can lead to the presence of a substantial layer of aluminum oxide on the samples if the moisture content in the reactor is appreciable.