Highly enantioselective resolution of terminal epoxides with cross-linked polymeric salen-Co(III) complexes

Crosslinked polymeric salen-Co(III) complexes derived from a novel dialdehyde and a trialdehyde were synthesized and employed in the hydrolytic kinetic resolution (HKR) of terminal epoxides. Up to 99%, ee were obtained with only 0.16-0.02 mol%,, of catalyst (based on catalytic unit). (C) 2003 Elsevier Ltd. All rights reserved.

Extremely active catalysts for the hydrogenation of terminal alkenes

Titanocene complexes combined with nanometer-size sodium hydride are extremely active and selective catalysts for the hydrogenation of terminal alkenes under normal pressure. The initial turnover frequencies (TOFinitial) may reach 100-300 s(-1) in the hydrogenation of 1-hexene. The highest catalytic efficiency turnover (TO) reaches 1.5 x 10(5) in 2 h for the hydrogenation of styrene. These catalytic systems exhibit specific selectivity toward alkene substrates. Only terminal alkenes can be hydrogenated. No isomerization of carbon-carbon double bonds occurs during hydrogenation. A suitable substituent on the cyclopentadienyl ring of titanocene and the use of nanometric sodium hydride are key factors in the high efficiency of these catalytic systems. (C) 2002 Elsevier Science.

Highly enantioselective resolution of terminal epoxides using polymeric catalysts

Poly-salen-Co(III) complexes were employed in the hydrolytic kinetic resolution (HKR) of terminal epoxides and ee's up to 98% were obtained. In the HKR of epichlorohydrin, the polymeric catalysts can be recovered and modified for recycling. The recovered polymer catalyst shows good activity and selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

Dust-Cloud Structures behind a Shock Wave Moving Over a Deposited Layer of Fine Particles

The present paper investigates dispersed-phase flow structures of a dust cloud induced by a normal shock wave moving at a constant speed over a flat surface deposited with fine particles. In the shock-fitted coordinates, the general equations of dusty-gas

Numerical simulation of a bubble rising in shear-thinning fluids

The motion of a single bubble rising freely in quiescent non-Newtonian viscous fluids was investigated experimentally and computationally. The non-Newtonian effects in the flow of viscous inelastic fluids are modeled by the Carreau theological model. An improved level set approach for computing the incompressible two-phase flow with deformable free interface is used. The control volume formulation with the SIMPLEC algorithm incorporated is used to solve the governing equations on a staggered Eulerian grid. The simulation results demonstrate that the algorithm is robust for shear-thinning liquids with large density (rho(1)/rho(g) up to 10(3)) and high viscosity (eta(1)/eta(g) up to 10(4)). The comparison of the experimental measurements of terminal bubble shape and velocity with the computational results is satisfactory. It is shown that the local change in viscosity around a bubble greatly depends on the bubble shape and the zero-shear viscosity of non-Newtonian shear-thinning liquids. The shear-rate distribution and velocity fields are used to elucidate the formation of a region of large viscosity at the rear of a bubble as a result of the rather stagnant flow behind the bubble. The numerical results provide the basis for further investigations, such as the numerical simulation of viscoelastic fluids. (C) 2010 Elsevier B.V. All rights reserved.

Soil microbial community analysis using terminal restriction fragment length polymorphisms

Terminal restriction fragment length polymorphism (T-RFLP) analysis is a polymerase chain reaction (PCR)-fingerprinting method that is commonly used for comparative microbial community analysis. The method can be used to analyze communities of bacteria, archaea, fungi, other phylogenetic groups or subgroups, as well as functional genes. The method is rapid, highly reproducible, and often yields a higher number of operational taxonomic units than other, commonly used PCR-fingerprinting methods. Sizing of terminal restriction fragments (T-RFs) can now be done using capillary sequencing technology allowing samples contained in 96- or 384-well plates to be sized in an overnight run. Many multivariate statistical approaches have been used to interpret and compare T-RFLP fingerprints derived from different communities. Detrended correspondence analysis and the additive main effects with multiplicative interaction model are particularly useful for revealing trends in T-RFLP data. Due to biases inherent in the method, linking the size of T-RFs derived from complex communities to existing sequence databases to infer their taxonomic position is not very robust. This approach has been used successfully, however, to identify and follow the dynamics of members within very simple or model communities. The T-RFLP approach has been used successfully to analyze the composition of microbial communities in soil, water, marine, and lacustrine sediments, biofilms, feces, in and on plant tissues, and in the digestive tracts of insects and mammals. The T-RFLP method is a user-friendly molecular approach to microbial community analysis that is adding significant information to studies of microbial populations in many environments.

The structure of Aquifex aeolicus sulfide:quinone oxidoreductase, a basis to understand sulfide detoxification and respiration

Sulfide: quinone oxidoreductase (SQR) is a flavoprotein with homologues in all domains of life except plants. It plays a physiological role both in sulfide detoxification and in energy transduction. We isolated the protein from native membranes of the hyperthermophilic bacterium Aquifex aeolicus, and we determined its X-ray structure in the "as-purified,'' substrate-bound, and inhibitor-bound forms at resolutions of 2.3, 2.0, and 2.9 angstrom, respectively. The structure is composed of 2 Rossmann domains and 1 attachment domain, with an overall monomeric architecture typical of disulfide oxidoreductase flavoproteins. A. aeolicus SQR is a surprisingly trimeric, periplasmic integral monotopic membrane protein that inserts about 12 angstrom into the lipidic bilayer through an amphipathic helix-turn-helix tripodal motif. The quinone is located in a channel that extends from the si side of the FAD to the membrane. The quinone ring is sandwiched between the conserved amino acids Phe-385 and Ile-346, and it is possibly protonated upon reduction via Glu-318 and/or neighboring water molecules. Sulfide polymerization occurs on the re side of FAD, where the invariant Cys-156 and Cys-347 appear to be covalently bound to polysulfur fragments. The structure suggests that FAD is covalently linked to the polypeptide in an unusual way, via a disulfide bridge between the 8-methyl group and Cys-124. The applicability of this disulfide bridge for transferring electrons from sulfide to FAD, 2 mechanisms for sulfide polymerization and channeling of the substrate, S2-, and of the product, S-n, in and out of the active site are discussed.

Resolution prediction and optimization of temperature programme in comprehensive two-dimensional gas chromatography

A model is developed for predicting the resolution of interested component pair and calculating the optimum temperature programming condition in the comprehensive two-dimensional gas chromatography (GC x GC). Based on at least three isothermal runs, retention times and the peak widths at half-height on both dimensions are predicted for any kind of linear temperature-programmed run on the first dimension and isothermal runs on the second dimension. The calculation of the optimum temperature programming condition is based on the prediction of the resolution of "difficult-to-separate components" in a given mixture. The resolution of all the neighboring peaks on the first dimension is obtained by the predicted retention time and peak width on the first dimension, the resolution on the second dimension is calculated only for the adjacent components with un-enough resolution on the first dimension and eluted within a same modulation period on the second dimension. The optimum temperature programming condition is acquired when the resolutions of all components of interest by GC x GC separation meet the analytical requirement and the analysis time is the shortest. The validity of the model has been proven by using it to predict and optimize GC x GC temperature programming condition of an alkylpyridine mixture. (c) 2005 Elsevier B.V. All rights reserved.

洛仑兹脉冲光束的复振幅包络解和复解析信号解的比较研究

使用复振幅包络表示式和复解析信号表示式推导了洛仑兹脉冲光束的传输公式．通过具体数值计算对脉冲光束的复振幅包络解和复解析信号解在不同带宽时的传输进行了对比研究．数值结果表明脉冲光束为窄带时，在传输方向轴中心的一定范围内两种解是一致的，而对于宽带脉冲光束，复振幅包络解在轴中心较近的距离即表现出奇异性，复解析信号解才是符合物理意义的表示式．由数值计算得出了选择脉冲光束研究方法的条件，并从所得公式对复振幅包络解出现奇异性的现象进行了解释．

Study on conical columns with different conical angles for semi-preparative liquid chromatography

The dynamic flow profiles and separation performances in conically shaped preparative liquid chromatographic columns (inlet i.d. larger than outlet i.d.) with three different angles (7, 10 and 15degrees) were studied and compared with cylindrical column of the same length and internal volume. The shapes of dynamic flow profiles were studied by on-column visualization method. The transparent chromatographic columns made of polymethyl methacrylate (PMMA), packed with C-18 bonded silica, were immerged into a cubic pool filled with glycerol to eliminate the cylindrical and conical lens effect. The flow profiles of colored iodine solution in the columns were observed clearly using cyclohexane as mobile phase since the refractive indices of C-18, column wall and the mobile phase are very close. In the conical column of 15degrees (20-7 mm i.d.) the mobile phase in the central region migrated slower than in wall region as it moved toward the column outlet, while in the conical column of 7degrees (17-11 mm i.d.) the mobile phase in the central region migrated faster than in wall region just like in cylindrical column. We found that a plug-like flow profile was generated in the conical column of 10degrees (18-9 mm i.d.) during the whole migration process. A carmine and brilliant blue mixture was used as a probe to test the separation ability of the columns. The resolutions of the two compounds on the conical column of 7, 10, 15degrees and on the cylindrical column were 0.6, 1.57, 1.29 and 0.8, respectively. (C) 2003 Elsevier B.V. All rights reserved.

容器苗质量评定指标的研究

In this paper,the assessing indices of container seedlings quality were synthesized in accordance with growth and physiological factors. The results showed that the seedling quality might be determined by the dormancy state of terminal bud,nutrient condition of plant,and the state of root system. The critical quality indices should include stem diameter at soil surface,dry weight of terminal bud,and soluble sugar content. Moreover,some indices such as root system vitality and dry weight of plant were also important.

砂泥岩薄互层储层预测方法与应用研究

With the deeply development of exploration and development in petroleum in China, new increasing reserves are found in old oil fields and the verge of the old ones through re-study of geological property. It is more and more important to discovery and develop thin layer or thin inter-bedded layers reservoirs. All of the targets are thin sand-shale inter-bedded reservoirs and the core technology is reservoir predictions between wells in thin sand-shale inter-bedded layers. The continuity of the thin sand-shale inter-bedded layers in space or separating and heterogeneity is the key of reservoir geology research. The seismic reflection, high resolution analysis method and inversion method to thin sand-shale inter-bedded layers are thorough discussed and deeply studied in this paper to try to find the methods and resolutions of reservoir geology research. The below is followed. 1. Based on the pre-research of other people, five models are created: the sand sphenoid body, interlay sandstone and interlay shale of the equal thickness, interlay sandstone of the equal thickness and interlay shale of the unequal thickness, interlay sandstone of the unequal thickness and interlay shale of the unequal thickness, interlay sandstone of the changing thickness in sequence and interlay shale of the changing thickness in sequence. Then the study of the forward modeling are conducted on the thin layer and thin inter-bedded layers geological characters and seismic reflections including amplitude, frequency, phase, wave shape and time-frequency responding in the domains of time and frequency. The affect of petro-physics difference of layers, single thin layer thickness, thickness of inter-bedded, layer number of inter-bedded, incident wavelet domain frequency and types, sample interval to seismic reflection characters, frequency spectrum and time-frequency respond of reflectivity is theoretically discussed. 2. Qualitatively analyzing the sedimentary rhythm of the thin inter-bedded layers in vertical orientation and computing the single layer thickness or the average thickness with the method of generalized S transform. Identifying the reflecting interface or lithology interface using the amplitude value of amplitude spectrum domain frequency. 3. Based on the seismic respond of thin sand-shale inter-bedded layers, bring out the high resolution analysis method of seismic data in thin sand-shale inter-bedded layers using wavelet analysis and the idea of affecting low and high frequency with middle frequency. Then analyzing the effect to the method and testing some wavelets in the method. This method is applied to the theoretical models and the field data. 4. Bring forward one improved very fast simulated annealing method (IVFSA) to resolve the problem nonlinearity and multi-parameters of the inversion in thin inter-bedded layers. And IVFSA is more productive and higher precision than general ways. 5. New target constrained function is used in the inversion based on the property of the inversion in thin inter-bedded layers. 6. Making the full use of geological and logging information, IVFSA and the new function are applied in the non-linear inversion to improve reservoir prediction and evaluation in thin inter-bedded formations combined with the idea of logging and seismic inversion. This method was applied to the field data and got good results.

复杂断块油气藏成藏机理和剩余油预测

Complex fault block reservoir is very important type in chinese oilfield.The reservoir have for many years and it has been the important issue of oil-gas exploration and development in china that how to increase reserves and production. Therefore,taking the Pucheng-oil field as an example, the article intensive study the geologic feature of oil pool, correctly recognize the rule of oil-gas accumulation and based on the fine representation of the characteristic of reservoir, research the remaining oil in high developed area,which is important for progressive exploratioon and development and taping the remaining oil. The article multipurpose uses the data of geology,drilling,wellloging, analysis and assay and so on, under the guidance multi-disciplinary theory, intensify the comprehension of the geologic feature of oil pool in high developed oil field. Based on the high-resolution sequence stratigraphic framework ,the article points out that Es_2 upper 2+3 reservoir in the south area of Pucheng oilfield is in the depositional environment of Terminal Fan, which has constant supply of sedimentary source ,and build the sedimentation model. Studies have shown that the major reservoir in work area is the distributary channel sandbody in central Sub-facies of Terminal Fan，secondary is both lateral accretion sandbodies of channel sands，nearby and far away from the channel overflowing sandbodies in front of the fan. The article analyze the effect of depth of burial of the reservoir, sandstone structure, strata pressure and bioturbate structure on control action of physical property for reservoir and indicate that deposition and diagenesis are major controlling factors.By building the model of reservoir heterogeneity, the article show the magnitude of reservoir heterogeneity ,the genesis and identification mark of Interlayer and build the the model of interlayer. in this area the vertical distribution of interlayer is complicated,but the intraed interlayer distribute steady. Thick interlayer is steady and the thin is relatively spreaded. By building models of fault sealing,stress field and fluid potential field of the south of the pucheng oil field, the regular pattern of fluid migration and accumulation runs out. By researching the elements of oil accumulation, migration pathway and accumulation period with quantification and semiquantitative methods,we bulit the oil-gas reservoir-forming mode of the south of the pucheng oil field,which will be the foundation of the rolling exploratory development in the future. We promulgated the master control element and the rule of distribution of the remaining oil with the upside 2+3 oil layer in shaer in the south of the pucheng oil field as an example.In this area, the formation and the distribution of the remaining oil is controled by the sedimentary microfacies, reservoir heterogeneity,fault and reservoir engineering. The remaining oil is concentrated in the vicinity of the gas cap, updip of the fault block and the area with incomplete flooding. Remaining oil saturation in some area can get 50%, so there are many places in which we can enhance oil recovery.