STRUCTURE OF AQUABIS-(PICOLINATO)SCANDIUM HYDROXIDE DIHYDRATE

The crystal structure of the title complex was established by X-ray diffraction analysis. Each scandium ion is seven-coordinated by two oxygen atoms and two nitrogen atoms from the picolinato ions, one water oxygen atom and two hydroxide ions. The nitrogen atom and one carboxyl oxygen atom of each picolinato ion are coordinated to the same scandium ion to form a five-membered chelating ring. Each hydroxide ion is coordinated to two scandium ions to form hydroxide bridges and a dimeric molecule unit.

HOST-GUEST INTERACTIONS OF THIAMINE WITH ANIONS - CRYSTAL-STRUCTURE OF THIAMINE IODIDE SESQUIHYDRATE

The crystal structure of thiamine iodide sesquihydrate has been determined by X-ray diffraction methods as a host-guest model for coenzyme-substrate interactions. The asymmetric unit contains two chemical units. Both the thiamine molecules A and B, which are crystallographically independent, assume the usual F conformation and have a disordered hydroxyethyl side chain. An iodide anion (or a water molecule) bridges the pyrimidine and thiazolium rings of molecule A (or B) by forming a hydrogen bond with the amino group and an electrostatic contact with the thiazolium ring to stabilize the molecular conformation. In the crystal the thiamine molecules self-associate to form a pipe-like polymeric structure, in which four thiamine hosts surround an iodide guest and hold it through C(2)-H...I hydrogen bonds and thiazolium...I electrostatic interactions. Crystal data: C12H17N4OS+.I- . 1.5 H2O, monoclinic, P2(1)/c, a = 12.585(2), b = 25.303(5), c = 12.030(2) angstrom, beta = 115.15(1)degrees, V = 3468(1) angtrom3, Z = 8, D(c) = 1.606 g cm-3, R = 0.045 for 3328 observed reflections.

INTERACTIONS OF THIAMINE WITH ANIONS - STRUCTURE OF THIAMINE DITHIOCYANATE

The crystal structure analysis of {3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol}ium dithiocyanate reveals that there are two types of anion bridges between the two aromatic rings of the same thiamine which adopts the usual F conformation, one of which involves a contact between H(C2) on the thiazolium ring and the hydroxy O atom from a neighbouring molecule. The crystal packing shows a novel triple helical structure formed by strongly hydrogen-bonded thiamine-SCN- molecular chains.

STRUCTURE OF AN ERBIUM COORDINATION COMPOUND WITH L-PROLINE, ([ER(PRO)2(H2O)5]CL3)(N)

catena-Poly[{pentaaqua(L-proline-O)-erbium-mu-(L-proline-O:O')} trichloride], {[Er(C5H9-NO2)2(H2O)5]Cl3}n, M(r) = 594.0, monoclinic, P2(1), a = 8.294 (1), b = 10.981 (3), c = 11.934 (3) angstrom, beta = 107.04 (2)degrees, V = 1039.2 (4) angstrom3, Z = 2, D(x) = 1.90 g cm-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 45.2 cm-1, F(000) = 586, T = 298 K, R = 0.0244 for 1711 unique reflections [I > 3 sigma(I(o))]. The crystal consists of one-dimensional chains of infinite length in which one L-proline ligand bridges two neighboring Er ions, the other L-proline ligand being monodentate.

STRUCTURE OF THIAMINE BROMIDE SESQUIHYDRATE

3-[(4-Amino-2-methyl-5-pyrimidinyl)-methyl]-5-hydroxyethyl-4-methylthiazolium bromide sesquihydrate, C12H17N4OS+.Br-.1.5H2O, M(r) = 372.28, monoclinic, P2(1)/a, a = 11.676 (2), b = 24.819(7), c = 12.344 (3) angstrom, beta = 113.74(2)-degrees, V= 3274 (1) angstrom3 , Z = 8, D(x) = 1.51 g cm-3 (Mo Kalpha) = 0.71069 angstrom, mu = 26.2 cm-1, F(000) = 1528, T 293 K, R = 0.062 for 2720 observed reflections. Both the independent thiamine molecules A and B in the asymmetric unit adopt the common F conformation. A bromide anion is held by four neighbouring thiamine molecules through C(2)-H...Br hydrogen bonds and Br ... thiazolium-ring electrostatic interactions. Another bromide anion (or a water molecule) bridges the pyrimidine and thiazolium moieties of molecule A (or B) through a hydrogen bond with the amino group and an electrostatic interaction with the thiazolium ring.

PREPARATION AND MOLECULAR-STRUCTURE OF METHYLBIS(TERT-BUTYLCYCLOPENTADIENYL)NEODYMIUM AND METHYLBIS(TERT-BUTYLCYCLOPENTADIENYL)GADOLINIUM

Bis(t-butylcyclopentadienyl)lanthanide chloride (Ln = Nd or Gd) reacts with one equivalent of methyllithium in ether/tetrahydrofuran to give the complex [(C5H4tBu)2LnCH3]2 (Ln = Nd or Gd). The structure of [(C5H4tBu)2NdCH3]2 has been determined by X-ray analysis. The crystals are monoclinic of space group Cm with a = 9.538(2), b = 23.298(4), c = 9.505(3) angstrom, beta = 119.53(2)-degrees, V = 1828.0(7) angstrom 3, D(calc.) = 1.458 g/cm3 and Z = 2 for the dimer. The two (C5H4tBu)2Nd units in the dimer are connected by asymmetrical methyl bridges with independent Nd-C bond lengths of 2.70(2) and 2.53(2) angstrom and Nd-C-Nd angles of 94.7(9) and 87.3(6)-degrees.

Cflec-4, a multidomain C-type lectin involved in immune defense of Zhikong scallop Chlamys farreri

C-type lectins are a superfamily of carbohydrate-recognition proteins which play crucial roles in the innate immunity. In this study, a novel multidomain C-type lectin gene from scallop Chlamys farreri (designated as Cflec-4) was cloned by RACE approach based on EST analysis. The full-length cDNA of Cflec-4 was of 2086 bp. The open reading frame was of 1830 bp and encoded a polypeptide of 609 amino acids, including a signal sequence and four dissimilar carbohydrate-recognition domains (CRDs). The deduced amino acid sequence of CflecA shared high similarities to other C-type lectin family members. The phylogenetic analysis revealed the divergence between the three N-terminal CRDs and the C-terminal one, suggesting that the four CRDs in Cflec-4 originated by repeated duplication of different primordial CRD. The potential tertiary structure of each CRD in Cflec-4 was typical double-loop structure with Ca2+-binding site 2 in the long loop region and two conserved disulfide bridges at the bases of the loops. The tissue distribution of Cflec-4 mRNA was examined by fluorescent quantitative real-time PCR. In the healthy scallops, the Cflec-4 transcripts could be only detected in gonad and hepatopancreas, whereas in the Listonella anguillarum challenged scallops, it could be also detected in hemocytes. These results collectively suggested that CflecA was involved in the immune defense of scallop against pathogen infection and provided new insight into the evolution of C-type lectin superfamily. (C) 2009 Elsevier Ltd. All rights reserved.

Cloning and characterization of a novel C-type lectin gene from shrimp Litopenaeus vannamei

In invertebrates, C-type lectins play crucial roles in innate immunity responses by mediating the recognition of host cells to pathogens and clearing microinvaders, which interact with carbohydrates and function as pattern recognition receptors (PRRs). A novel C-type lectin gene (LvLec) cDNA was cloned from hemocytes of Litopenaeus vannamei by expressed sequence tag (EST) and rapid amplification of cDNA ends (RACE) PCR. The full-length cDNA of LvLec was of 618 bp, consisting of a 5'-terminal untranslated region (UTR) of 60 bp and a 3'-UTR of 87 bp with a poly (A) tail. The deduced amino acid sequence of LvLec possessed all conserved features critical for the fundamental structure, such as the four cysteine residues (Cys(53), Cys(128), Cys(144), Cys(152)) involved in the formation of disulfides bridges and the potential Ca2+/carbohydrate-binding sites. The high similarity and the close phylogenetic relationship of LvLec shared with C-type lectins from vertebrates and invertebrates. The structural features of LvLec indicated that it was an invertebrate counterpart of the C-type lectin family. The cDNA fragment encoding the mature peptide of LvLec was recombined and expressed in Escherichia coli BL21(DE3)-pLysS. The recombinant protein (rLvLec) could agglutinate bacteria E. coli JM109 depending on Ca2+, and the agglutination could be inhibited by mannose and EDTA. These results indicated that LvLec was a new member of C-type lectin family and involved in the immune defence response to Gram negative bacteria in Litopenaeus vannamei. (C) 2008 Elsevier Ltd. All rights reserved.

Molecular cloning, characterization and expression of a novel serine proteinase inhibitor gene in bay scallops (Argopecten irradians, Lamarck 1819)

Serine protease inhibitors, critical regulators of endogenous proteases, are found in all multicellular organisms and play crucial roles in host physiological and immunological effector mechanisms. The first mollusk serine proteinase inhibitor (designated AISPI) cDNA was obtained from the bay scallop Argopecten irradians by randomly sequencing a whole tissue cDNA library and rapid amplification of cDNA ends (RACE). The full-length cDNA of the scallop serine protease inhibitor was 1020 bp, consisting of a 5'-terminal untranslated region (UTR) of 39 bp, a 3'-terminal UTR of 147 bp with a canonical polyadenylation signal sequence AATAAA and a poly(A) tail, and an open reading frame of 834 bp. The AISPI cDNA encoded a polypeptide of 278 amino acids with a putative signal peptide of 22 amino acids and a mature protein of 256 amino acids. The deduced amino-acid sequence of AISPI contained six tandem and homologous domains similar to that of Kazal-type serine protease inhibitors, including the conserved sequence C-X(7)-C-X(6)-Y-X(3)-C-X(2,3)-C and six cysteine residues responsible for the formation of disulfide bridges, indicating that the AISPI protein from bay scallop should be a member of the Kazal-type serine protease inhibitor family. The temporal expression of AISPI was measured by semi-quantitative RT-PCR after injury or bacterial challenge. After the adductor muscle was wounded or injected with Vibrio anguillarum, the expression of AISPI mRNA in hemolymph was up-regulated and reached the maximum level at 8 and 16 h, respectively, and then progressively dropped back to the original level. The results indicated that AISPI could play an important role in injury healing and immune response in mollusks as it could be induced by injury and bacterial challenge. (c) 2005 Elsevier Ltd. All rights reserved.

Catena-Poly[[[tetra-mu(2)-aqua-heptaaqua-(mu(2)-benzene-1,3,5-tricarboxylato)-mu(3)-hydroxido-trinickel(II)sodium]-mu(4)-benzene-1,3,5-tricarboxylato]sesqui-hydrate]

The title coordination polymer, {[Ni3Na(OH)(C9H3O6)(2)( H2O)(11)] center dot 1.5H(2)O}(n), is built up from three independent Ni-II ions and one Na-I cation bridged by benzene-2,4,6-tricarboxylate ( BTC) ligands and water molecules. Three Ni-II ions are bridged by three bidentate carboxylate groups of three BTC ligands, two aqua ligands and one OH- unit, to form a trinuclear metal cluster. The Na-I cation is bonded to the Ni-II cluster by two bridging water molecules. One of the three BTC ligands bridges neighbouring clusters into one-dimensional chains, which are further connected through a complex hydrogen-bonding scheme, forming a three-dimensional suprastructure. The title complex is isomorphous with the previously reported Co-II complex.

基于窗口精细结构描述的岩体质量评价及力学参数综合优选

This thesis bases on horizontal research project “The research about the fine structure and mechanical parameters of abutment jointed rock mass of high arch dam on Jinping Ⅰ Hydropower Station, Yalong River” and “The research about the fine structure and mechanical parameters of the columnar basalt rock mass on Baihetan Hydropower Station, Jinsha River”. A rounded system about the fine structure description and rock mass classification is established. This research mainly contains six aspects as follow: (1) Methods about fine structure description of the window rock mass; (2) The window rock mass classification about the fine structure; (3) Model test study of intermittent joints; (4) Window rock mass strength theory; (5) Numerical experimentations about window rock mass; (6) The multi-source fusion of mechanical parameters based on Bayes principle. Variation of intact rock strength and joint conditions with the weathering and relaxation degree is studied through the description of window rock mass. And four principal parameters: intact rock point load strength, integration degree of window rock mass, joint conditions, and groundwater condition is selected to assess the window rock mass. Window rock mass is classified into three types using the results of window rock mass fine structure description combined with joints develop model. Scores about intact rock strength, integrality condition, divisional plane condition and groundwater conditions are given based on window rock mass fine structure description. Then quality evaluation about two different types of rock mass: general joint structure and columnar jointing structure are carried out to use this window rock mass classification system. Application results show that the window rock mass classification system is effective and applicable. Aimed at structural features of window structure of “the rock mass damaged by recessive fracture”, model tests and numerical models are designed about intermittent joints. By conducting model tests we get shear strength under different normal stress in integrated samples, through samples and intermittent joints samples. Also, the changing trends of shear strength in various connectivity rates are analyzed. We numerically simulate the entire process of direct shear tests by using PFC2D. In order to tally the stress-strain curve of numerical simulation with experimental tests about both integrated samples and through samples, we adjust mechanical factors between particles. Through adopting the same particle geometric parameter, the numerical sample of intermittent joints in different connective condition is re-built. At the same time, we endow the rock bridges and joints in testing samples with the fixed particle contacting parameters, and conduct a series of direct shear tests. Then the destructive process and mechanical parameters in both micro-prospective and macro-prospective are obtained. By synthesizing the results of numerical and sample tests and analyzing the evolutionary changes of stress and strain on intermittent joints plane, we conclude that the centralization of compressive stress on rock bridges increase the shear strength of it. We discuss the destructive mechanics of intermittent joints rock under direct shear condition, meanwhile, divide the whole shear process into five phases, which are elasticity phase, fracture initiation phase, peak value phase, after-peak phase and residual phase. In development of strength theory, the shear strength mechanisms of joint and rock bridge are analyzed respectively. In order to apply the deducted formulation conveniently in the real projects, a relationship between these formulations and Mohr-Coulomb hypothesis is built up. Some sets of numerical simulation methods, i.e. the distinct element method (UDEC) based on in-situ geology mapping are developed and introduced. The working methods about determining mechanical parameters of intact rock and joints in numerical model are studied. The operation process and analysis results are demonstrated detailed from the research on parameters of rock mass based on numerical test in the Jinping Ⅰ Hydropower Station and Baihetan Hydropower Station. By comparison，the advantages and disadvantages are discussed. Results about numerical simulation study show that we can get the shear strength mechanical parameters by changing the load conditions. The multi-source rock mass mechanical parameters can be fused by the Bayes theory, which are test value, empirical value and theoretical value. Then the value range and its confidence probability of different rock mass grade are induced and these data supports the reliability design.

鄂尔多斯盆地陇东地区长8段砂岩输导体定量表征研究

Migration carriers act as the “Bridges” connecting source rock and traps and play important roles in petroleum migration and accumulation system. Among various types of carriers, sandstone carrier constitutes the basis of carrier system consisting of connected sandstone bodies, of sand-bodies connected with other carriers, such as faults and/or unconformities. How do we understand sandstone carrier beyond the traditional reservoirs concept? How could we characterize quantitatively this kind of carriers for petroleum migration? Such subjects are important and difficult contents in dynamic studies on hydrocarbon migration and accumulation. Sandstone carrier of Chang 8 member in Longdong area of Ordos Basin is selected as the research target in this thesis. Through conducting integrated reservoir analysis on many single wells, the correlation between single sandstone thickness and oil thickness seems good. Sketch sandstone is defined in this thesis as the principal part of carrier based on systematical analysis on lithology and sandstone thickness. Geometry connectivity of sandstone bodies was identified by the spatial superposition among them and was proved by the oil property features in oilfields. The connectivity between sandstone carriers is also hydrodynamically studied by observing and analyzed various diagenetic phenomena, especially the authigenic minerals and their forming sequence. The results were used to characterize transporting capability of sandstone carriers during the key petroleum migration periods. It was found that compaction and cementation are main causes to reduce pore space, and resolution may but not so importantly increases pore space after the occurrence of first migration. The cements of ferrocalcite and kiesel seem like the efficient index to demonstrate the hydraulic connection among sandy bodies. Diagenetic sequence and its relationship with petroleum migration phases are analyzed. Sandstone carrier of Chang 8 member was then characterized by studying their pore space and permeable properties. The results show an average porosity and permeability of Chang 8 carriers are respectively 8% and 0.50md, belongs to low porosity - low permeability reservoirs. Further, the physical properties of Chang 81 member are commonly better than those of Chang 82 member. Methods to reconstruct property of sandstone carrier during petroleum migration phase (late Jurassic) are built based on diagenetic sequence. Planal porosity, porosity and permeability of sandstone carrier in this period are statistically analyzed. One combining index - product of thickness and ancient porosity - is selected as the idea parameter to characterize sandstone carrier of late Jurassic after contrast with other parameters. Reservoirs of Chang 8 member in Longdong area are lithological reservoir controlled by sand body in which oil layers in middle part are clamped with dry layers in upper and lower parts, in a sandwich way. Based a newly proposed “migration-diagensis-remigration” model in low permeability sandstone of Chang 8 member in Longdong area, oil migration and accumulation processes during different periods are simulated with the reconstructed sandstone carriers system. Results match well with current reservoir distributions. Finally, suggestions for next favorable exploration areas are given based on all research achievements.

高山峡谷地区大跨度桥梁岸坡稳定性分析、趋势预测及应用研究

In order to realize fast development of the national economy in a healthy way and coordinate progress with whole society, the country has implemented the strategy of development of the western region. An important action of finishing this strategic task is to accelerate the highway construction in the western region, join the western region and places along the coast, the river, the border with goods and materials, technology, and personnel interchanges, and then drive development of the local economy.The western region was influenced by the Himalaya Tectonization in Cenozoic, and the crust rose and became the plateau. In the course of rising, rivers cut down sharply to form a lot of high mountains and gorges.Because of topography and geomorphology, bridges in the traffic construction in the alpine gorge area are needed. Rivers have characteristics of large flow, fast velocity and high and steep river valley, so building a pier in the river is not only very difficult, but also making the cost increase. At the same time, the impact that the pier is corroded and the bridge base that is drawn to be empty by flow are apt to cause destruction of the pier. For those reasons, suspending bridge and cable-stay bridge are usually adopted with the single and large span. For the large span bridge, the pier foundation could receive ten thousand and more vertical strength, bending moment and near kiloton horizontal thrust.Because bank slope in the alpine gorge district is cut deeply and unsettled big, natural stability is worse under endogenic and exogenic force. When bank slope bears heavy vertical strength, bending moment and horizontal thrust facing the river, it will inevitably make the balance state of rock and soil mass change, bridge bank slope deform, and even destroyed. So the key problem at the time of the large span's bridge construction in the alpine gorge area is how to make it stable.So based on the spot investigation, the Engineering Geology Analysis Method is very important to grasp the bank slope stability. It can provide the bank slope stability macroscopic ally and qualitatively, and reference to the indoor calculation. The Engineering Geology Analysis Method is that by way of analyzing and investigating terms of bank slope instability, stability development trend, the ancient rock slide and devolution in the site, stability comprehensive evaluation primarily, current and future stability of bank slope is gotten, realizing the intention to serving the concrete engineering.After the Engineering Geology Analysis Method is applied to project instances of BeiPan River Bridge and BaLin River Bridge, results are accord with bank slope actual conditions, which proves sites are suited to building bridges from site stability.we often meet bank slope stability issues in the traffic construction in the alpine gorge areao Before the evaluation of the bank slope stability, the engineering geological condition is investigated first. After that, the next exploration target and geology measures are decided. So, the Engineering Geology Analysis Method that the investigation of the engineering geological condition is the main content is quite important in practice. The other evaluations of the bank slope stability are based on it. Because foundation receives very heavy load, for the big span's bridge in the alpine gorge area, a long pile of the large diameter (D^0.8m) is usually selected. In order to reflect rock mass's deformation properties under rock-socketed pile function, the author has used the FLAG30 software for rock and soil mass and done many numerical simulations. By them, the author launches the further investigation on deformation properties of bank slope under different slope angle, pile length, diameter, elastic modulus, load, bank slope's structure, etc. Some conclusion meaningful to the design and produce are obtained.

Towards Intelligent Structures: Active Control of Buckling

The buckling of compressively-loaded members is one of the most important factors limiting the overall strength and stability of a structure. I have developed novel techniques for using active control to wiggle a structural element in such a way that buckling is prevented. I present the results of analysis, simulation, and experimentation to show that buckling can be prevented through computer-controlled adjustment of dynamical behavior.sI have constructed a small-scale railroad-style truss bridge that contains compressive members that actively resist buckling through the use of piezo-electric actuators. I have also constructed a prototype actively controlled column in which the control forces are applied by tendons, as well as a composite steel column that incorporates piezo-ceramic actuators that are used to counteract buckling. Active control of buckling allows this composite column to support 5.6 times more load than would otherwise be possible.sThese techniques promise to lead to intelligent physical structures that are both stronger and lighter than would otherwise be possible.

Fragments of place : revealing sense of place through shared phone images.

Is an interactive new media art installation that explores how the sharing of images, normally hidden on mobile phones, can reveal more about people's sense of place and this ultimately shared experience. Traditional views on sense of place, as exemplified by Wagner (1972) and Relph (1976), characterise the experience as a fusion of meaning, act and context. Indeed, Relph suggests that it is not just the identity of a place that is important, but also the identity that a person or group has with that place, in particular whether they are experiencing it as an ‘insider’ or ‘outsider’. This work stimulates debate concerning the impact of technology on sense of place. Technology offers a number of bridges between the real and virtual worlds, but in so doing places an increased tension on the sense of place and subsequently the identity of the individual. This, coupled with the increased use of camera phones, has enabled the documentation of all aspects of our lives, the things we do, the objects we encounter and the places we inhabit. The installation taps into these hidden electronic resources by letting people share their sense of place associated with a large scale event. The work explores the changing nature of the sense of place of performers, visitors and residents over the duration of the event. Interaction with the installation will transform the viewer into performer, echoing Relph’s insider-outsider dichotomy