Shape-controllable synthesis and upconversion properties of lutetium fluoride (doped with Yb3+/Er3+) microcrystals by hydrothermal process

Lutetium fluorides with different compositions, crystal phases, and morphologies, such as beta-NaLuF4 hexagonal microprisms, microdisks, mirotubes, alpha-NaLuF4 submicrospheres, LuF3 octahedra, and NH4Lu2F7 icosahedra, prolate ellipsoids and spherical particles have been successfully synthesized via a facile hydrothermal route. X-ray diffraction, scanning electron microscopy, transmission electron microscopy, high-resolution transmission electron microscopy, selected area electron diffraction, and photoluminescence spectra were used to characterize the samples. The intrinsic structural feature of lutetium fluorides, the solution pH values, F- sources, and organic additives (Cit(3-) and EDTA) account for the ultimate shape evolutions of the final products. The possible formation mechanisms for products with various architectures have been presented. Additionally, we investigated the upconversion luminescence properties of beta-NaLuF4: 20% Yb3+/2% Er3+ with different morphologies.

Different microstructures of ss-NaYF4 fabricated by hydrothermal process: Effects of pH values and fluoride sources

beta-NaYF4 microcrystals with a variety of morphologies, such as microrod, hexagonal microprism, and octadecahedron, have been synthesized via a facile hydrothermal route. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), and photoluminescence (PL) spectra were used to characterize the samples. The intrinsic structural feature of beta-NaYF4 seeds and two important external factors, namely, the pH values in the initial reaction solution and fluoride sources, are responsible for shape determination of beta-NaYF4 microcrystals. It is found that the organic additive trisodium citrate (Cit(3-)) as a shape modifier has the dynamic effect by adjusting the growth rate of different facets under different experimental conditions, resulting in the formation of the anisotropic geometries of various beta-NaYF4 microcrystals. The possible formation mechanisms for products with various architectures have been presented. A systematic study on the photoluminescence of Tb3+-doped beta-NaYF4 samples with rod, prism, and octadecahedral shapes has shown that the optical properties of these phosphors are strongly dependent on their morphologies and sizes.

Syntheses and ethylene polymerization behavior of supported salicylaldimine-based neutral nickel(II) catalysts

Two novel salicylaldimine-based neutral nickel(II) complexes, [(2,6-iPr(2)C(6)H(3))NCH(2-ArC6H3O)]Ni(PPh3)Ph (6, Ar = 2-(OH)C6H4; 8, Ar = 2-OH-3-(2,6-iPr(2)C(6)H(3)NCH)C6H3), have been synthesized, and their structures have also been confirmed by X-ray crystallography, elemental analysis, and H-1 and C-13 NMR spectra. An important structural feature of the two complexes is the free hydroxyl group, which allows them to react with silica pretreated with trimethylaluminum under immobilization by the formation of a covalent bond between the neutral nickel(II) complex and the pretreated silica. As active single-component catalysts, the two complexes exhibited high catalytic activities up to 1.14 and 1.47 x 10(6) g PE/mol(Ni)center dot h for ethylene polymerization, respectively, and yielded branched polymers. Requiring no cocatalyst, the two supported catalysts also showed relatively high activities up to 4.0 x 10(5) g PE/mol(Ni)center dot h and produced polyethylenes with high weight-average molecular weights of up to 120 kg/mol and a moderate degree of branching (ca. 13-26 branches per 1000 carbon atoms).

Stable ordered mesoporous silica materials templated by high-temperature stable surfactant micelle in alkaline media

Ordered hexagonal mesoporous silica material (JLU-30) has been successfully synthesized in alkaline media at high temperature (> 160 degreesC, using cationic (1,3-dimethyl-2-imidazolidin-2-ylidene)hexadecylmethyl-ammonium bromide (DIHAB) as a template, and characterized with X-ray diffraction (XRD), transmission electron microscopy (TEM), nitrogen adsorption-desorption isotherms, differential thermal analysis (DTA), and thermogravimetric analysis (TG), as well as Al-27 and Si-29 nuclear magnetic resonance (NMR) spectroscopy. Mesoporous JLU-30 shows much higher hydrothermal stability than MCM-41. Si-29 NMR spectra indicate that the pore walls of JLU-30 samples synthesized at high temperature (160 degreesC) are fully condensed, giving a Q(4)/Q(3) ratio as high as 6.2. In contrast, MCM-41 synthesized at relatively low temperature (100 degreesC) shows the Q(4)/Q(3) + Q(2) ratio at 1.1. Such unique structural feature might be responsible for the observed highly hydrothermal stability of the mesoporous silica materials (JLU-30).

Synthesis and crystal structure of a novel amino-acid-containing polyoxometalate: K-6[Cu (Ala)(2) (H2O)(2)](2)[ CU4 (H2O)(2) (AsW9O34)(2)] center dot 16H(2)O

The novel amino-acid-containing polyoxometalate Ka(6) [Cu(Ala)(2) (H2O)(2)](2) [Cu-4 (H2O)(2) . (AsW9O34)(2)] . 16H(2)O was synthesized from the reaction of K-10[Cu-4(H2O)(2)(AsW9O34)(2)] . 20H(2)O with beta -alanine, Its structure has been determined by single crystal X-ray diffraction. It crystallizes in the triclinic space group P (1) over bar, with a=1. 196 3(2) nm, b=1. 536 5(3) nm, c=1. 591 4(3) nm, alpha =93. 97(3)degrees, beta= 110. 88(3)degrees, gamma =101. 07(3)degrees, V=2. 651 8(9) nm(3) and Z=1. Least-squares refinement of the structure leads to R and R-w factors of 0. 067 3 and 0. 162 8, respectively. An unusual structural feature of the compound is that the polyanion [Cu-4(H2O)(2) (AsW9O34)](10-) is linked with the amino-acid complex of Cu2+ by a mu -oxygen atom.

Highly brominated mono- and bis-phenols from the marine red alga Symphyocladia latiuscula with radical-scavenging activity

Four new highly brominated and fully substituted mono- and bis-phenols, 1-(2,3,6-tribromo-4,5-dihydroxybenzyl)pyrrolidin-2-one (1), 1,2-bis(2,3,6-tribromo-4,5-dihydroxyphenyl)ethane (2), 6-(2,3,6-tribromo-4,5-dihydroxybenzyl)-2,5-dibromo-3,4-dihydroxybenzyl methyl ether (3), and 2,3,6-tribromo-4,5-dihydroxybenzyl methyl sulfone (4), were characterized from the marine red alga Symphyocladia latiuscula. In addition, five known bromophenols, bis(2,3,6-tribromo-4,5-dihydroxyphenyl)methane (5), bis(2,3,6-tribromo-4,5-dihydroxybenzyl) ether (6), 2,3,6-tribromo-4,5-dihydroxybenzyl methyl ether (7), 2,3,6-tribromo-4,5-dihydroxymethylbenzene (8), and 2,3,6-tribromo-4,5-dihydroxybenzaldehyde (9), were also isolated and identified. The structures of these compounds were elucidated by spectroscopic methods including 1D and 2D NMR as well as by low- and high-resolution mass spectrometric analysis. Structurally, all of these compounds are highly brominated and fully substituted, and contain one or two 2,3,6-tribromo-4,5-dihydroxyphenyl unit(s) in each of the molecules. In addition, compound 4 possesses a unique sulfone structural feature. Each of the isolated compounds was evaluated for alpha,alpha-diphenyl-beta-picrylhydrazyl (DPPH) radical-scavenging activity and all were found to be potent, with IC50 values ranging from 8.1 to 24.7 mu M, compared to the known positive control butylated hydroxytoluene (BHT), with an IC50 of 81.8 mu M.

辽东湾隐蔽油气藏地球物理识别技术研究

In China and world, more than half the recent basin discovered reserves involve lithologic hydrocarbon reservoir reserves. The major target for further hydrocarbon basin exploration is the subtle reservoir. The Liaodong Bay prospect is much important in Bohai Sea, which includes Liaoxi low uplift, Liaodong uplift, Liaoxi sag and Liaozhong sag. After dozens years’ exploration in Liaodong Bay, few unexplored big-and-middle-sized favorable structural traps are remained and most of the stock structure targets are bad for fragmentary. Thus seeking for new prospect area and making a breakthrough, have become the unique way to relieve the severe exploration condition in Liaodong Bay. Technique Route Based on the petrophysical property of target area, the seismic forward inference of typical subtle trap model is expanded with analysis of logging, seismic and geologic data. According to petrophysical characteristics and forward inference and research on seismic response of actual seismic data in target area, the optimization of geophysical technique is used in subtle trap identification and the geophysical identification technique system of subtle reservoir is formed. The Key Research ① Petrophysical Model The petrophysical parameter is the basic parameter for seismic wave simulation. The seismic response difference of rocks bearing different fluids is required. With the crossplot of log data, the influence of petrophysical parameters on rock elastic properties of target area is analyzed, such as porosity, shale index, fluid property and saturation. Based on the current research on Biot-Gassmann and Kuster-Toksoz model, the petrophysical parameter calculator program which can be used for fluid substitution is established. ② S-wave evaluation based on conventional log data The shear velocity is needed during forward inference of AVO or other elastic wave field. But most of the recent conventional log data is lack of shear wave. Thus according to the research on petrophysical model, the rock S-wave parameter can be evaluated from conventional log data with probability inverse method. ③ AVO forward modeling based on well data For 6 wells in JZ31-6 block and 9 wells in LD22-1 block, the AVO forward modeling recording is made by log curve. The classification of AVO characteristics in objective interval is made by the lithologic information. ④ The 2D parameter model building and forward modeling of subtle hydrocarbon trap in target area. According to the formation interpretation of ESS03D seismic area, the 2D parameter model building and seismic wave field forward modeling are carried on the given and predicted subtle hydrocarbon trap with log curve. ⑤ The lithology and fluid identification of subtle trap in target area After study the seismic response characteristics of lithology and fluid in given target area, the optimization of geophysical technique is used for lithology identification and fluid forecast. ⑥The geophysical identification technique system of subtle reservoir The Innovative Points of this Paper ① Based on laboratory measurement and petrophysical model theory, the rock S-wave parameter can be evaluated from conventional log data with probability inverse method. Then the fluid substitution method based on B-G and K-T theory is provided. ② The method and workflow for simulating seismic wave field property of subtle hydrocarbon trap are established based on the petrophysical model building and forward modeling of wave equation. ③ The description of subtle trap structural feature is launched. According to the different reflection of frequency wave field structural attribute, the fluid property of subtle trap can be identified by wave field attenuation attribute and absorption analysis. ④ It’s the first time to identify subtle trap by geophysical technique and provide exploration drilling well location. ⑤ The technique system of subtle reservoir geophysical identification is formed to provide available workflow and research ideas for other region of interest.

基于三重震相波形模拟研究亚洲东北部上地幔过渡带速度结构

Both the global and regional P wave tomographic studies have revealed significant deep structural heterogeneities in subduction zone regions. In particular, low-velocity anomalies have been observed beneath the descending high-velocity slabs in a number of subduction zones. The limited resolution at large depths and possible trade-off between the high and low velocities, however, make it difficult to substantiate this feature and evaluate the vertical extent of the low-velocity structure. From broadband waveform modeling of triplicated phases near the 660-km discontinuity for three deep events, we constrained both the P and SH wave velocity structures around the base of the upper mantle in northeast Asia. For the two events beneath the southern Kurile, the rays traveled through the lowermost transition zone and uppermost lower mantle under the descending Pacific slab. Our preferred models consistently suggest normal-to-lower P and significantly low SH velocities above and below the 660-km discontinuity extending to about 760-km depth compared with the global IASP91 model, corroborating previous observations for a slow structure underneath the slab. In contrast, both high P and SH velocity anomalies are shown in our preferred models for the Japan subduction zone region, likely reflecting the structural feature of a slab stagnant above the 660-km discontinuity. The velocity jumps across the 660-km discontinuity were found to be on average 4.5% and 7% for P and S waves under the south Kurile, and 3% and 6% under the Japan subduction zone. The respective velocity contrasts in the two regions are consistent with mineralogical models for colder slab interior and hotter under-slab areas. Based on mineral physics data, the depth-averaged ~1.5% P and ~2.5% SH velocity differences in the depth range of 560-760 km between the two regions could be primarily explained by a 350~450K temperature variation, although the presence of about 0.5wt%~1wt% water might also contribute to the subtle velocity variations near the base of the transition zone in the southern Kurile. From our modeling results, we speculate that the slow structure in the southern Kurile may be correlated to the low velocity zone observed previously around the 410-km discontinuity under Northern Honshu. Both are probably associated with a thermal anomaly rooted in the lower mantle beneath the subduction zone in northeast Asia.

利用宽频带台阵资料研究华北地区地壳及上地幔间断面结构

Intense tectonic renovation has occurred in the eastern continent of china since Mesozoic, as evidenced by the high heat flow, widespread magma extrusion and volcanic activities, and development of large sedimentary basins. To explain the cause and mechanism for the tectonic process in this period, some researchers have put forward various models, such as mantle plume, subduction of the Pacific slab, Yangtze Block-North China Block collision, etc. Their seismological evidence, however, is still scarce..During the period from 2000 to 2003, large temporary seismic arrays were established in North China by the Institute of the Geology and Geophysics, Chinese Academy of Sciences. Total 129 portable seismic stations were linearly emplaced across the western and eastern boundaries of the Bohai Bay Basin, and accumulated a large amount of high-quality data. Moreover, abundant data were also collected at the capital digital seismic network established in the ninth five-year period of national economic and social development. These provide an unprecedented opportunity for us to study the deep structure and associated geodynamic mechanism of lithospheric processes in North China using seismological techniques.Seismology is a kind of observation-based science. The development of seismic observations greatly promotes the improvement of seismologic theory and methodology. At the beginning of this thesis, I review the history of seismic observation progress, and present some routine processing techniques used in the array seismology. I also introduce two popular seismic imaging methods (receiver function method and seismic tomography).Receiver function method has been widely used to study the crustal and upper mantle structures, and many relevant research results have been published. In this thesis I elaborate the theory of this method, including the basic concept of receiver functions and the methodology for data pre-processing, stacking and migration. I also address some problems often encountered in practical applications of receiver function imaging.By using the teleseismic data collected at the temporary seismic arrays in North China, in particular, the traveltime information of P-to-S conversion and multiple reverberations of the Moho discontinuity, I obtain the distributions of the crustal thickness and the poisson ratio at the northwest boundary area of the Bohai Bay Basin and discuss the geological implications of the results.Through detailed intestigations on the crustal structural feature around the middle part of the Tanlu fault, considerable disparity in poisson ratios is found in the western and eastern sides of the Tanlu fault. Moreover, an obvious Moho offset is coincidently observed at the same surface location. A reasonable density model for the Tanlu fault area is also derived by simulating the observed gravity variations. Both receiver function study and gravity anomaly modeling suggest that the crustal difference between the western and eastern sides of the Tanlu fault is mainly resulted from their different compositions.With common conversion point imaging of receiver functions, I estimate the depths of the upper and lower boundaries of the mantle transition zone, i.e., the 410 and 660 km discontinuities, beneath most part of the North China continent The thickness of the transition zone (TTZ) in the study area is calculated by subtracting the depth of .410 km discontinuity from that of the 660km discontinuity. The resultant TTZ is 10-15 km larger in the east than in the west of the study area. Phase transitions at the 410 km and the 660 km discontinuities are known to have different Clapeyron slopes. Therefore, the TTZ is sensitive to the temperature changes in the transition zone. Previous studies have shown that the TTZ would be smaller in the mantle plume areas and become larger when the remnants of subducted slabs are present The hypothesis of mantle plume cannot give a reasonable interpretation to the observed TTZ beneath North China, Instead, the receiver function imaging results favor a dynamic model that correlates the thermal structure of the mantle transition zone and associated upper mantle dynamics of North China to the Pacific plate subduction process.

Donut-Shaped Fingerprint In Homologous Polypeptide Relationships-A Topological Feature Related To Pathogenic Structural Changes In Conformational Disease

Features of homologous relationship of proteins can provide us a general picture of protein universe, assist protein design and analysis, and further our comprehension of the evolution of organisms. Here we carried Out a Study of the evolution Of protein molecules by investigating homologous relationships among residue segments. The motive was to identify detailed topological features of homologous relationships for short residue segments in the whole protein universe. Based on the data of a large number of non-redundant Proteins, the universe of non-membrane polypeptide was analyzed by considering both residue mutations and structural conservation. By connecting homologous segments with edges, we obtained a homologous relationship network of the whole universe of short residue segments, which we named the graph of polypeptide relationships (GPR). Since the network is extremely complicated for topological transitions, to obtain an in-depth understanding, only subgraphs composed of vital nodes of the GPR were analyzed. Such analysis of vital subgraphs of the GPR revealed a donut-shaped fingerprint. Utilization of this topological feature revealed the switch sites (where the beginning of exposure Of previously hidden "hot spots" of fibril-forming happens, in consequence a further opportunity for protein aggregation is Provided; 188-202) of the conformational conversion of the normal alpha-helix-rich prion protein PrPC to the beta-sheet-rich PrPSc that is thought to be responsible for a group of fatal neurodegenerative diseases, transmissible spongiform encephalopathies. Efforts in analyzing other proteins related to various conformational diseases are also introduced. (C) 2009 Elsevier Ltd. All rights reserved.

Structural Evolution and Property Changes in Nd_{60}Al_{10}Fe_{20}Co_{10} Bulk Metallic Glass During Crystallization

The structural evolution and property changes in Nd60Al10Fe20Co10 bulk metallic glass (BMG) upon crystallization are investigated by the ultrasonic method, x-ray diffraction, density measurement, and differential scanning calorimetry. The elastic constants and Debye temperature of the BMG are obtained as a function of annealing temperature. Anomalous changes in ultrasonic velocities, elastic constants, and density are observed between 600–750 K, corresponding to the formation of metastable phases as an intermediate product in the crystallization process. The changes in acoustic velocities, elastic constants, density, and Debye temperature of the BMG relative to its fully crystallized state are much smaller, compared with those of other known BMGs, the differences being attributed to the microstructural feature of the BMG.

Structural properties of ne implanted GaN

We report a study on the micro-structural changes in GaN due to neon ion implantation using the x-ray diffraction and Raman scattering techniques. An implantation dose of 10(14) cm(-2) was found unable to produce lattice deformation observable by Raman measurements. For higher doses of implantation several disorder activated Raman scattering centers were observed which corroborate the literature. A new dose dependent feature has been recorded at 1595 cm(-1) for higher implantation doses which is suggested to be the vibrational mode of microcavities produced in the lattice.