Ionic liquid-based "all-in-one" synthesis and photoluminescence properties of lanthanide fluorides

A facile route to the synthesis of LnF(3) nanocrystals has been accomplished in three ionic liquids (ILs) (OmimPF(6), OmimBF(4), and BmimPF(6)). The partial hydrolysis of PF6- and BF4- was utilized to introduce a new fluoride source. Uniform LnF(3) (Ln = La, Ce, Pr, Nd, Sm, Eu, Er), Tb3+-doped CeF3, and Eu3+-doped LaF3 nanocrystals could be obtained in a large scale, and the products were up to 0.15 g per 10 mL solvents. In the "all-in-one" systems, the ILs acted as solvents, reaction agents, and templates.

Hollow DNA/PLL microcapsules with tunable degradation property as efficient dual drug delivery vehicles by alpha-chymotrypsin degradation

Hollow deoxyribonucleic acid (DNA)/poly-L-lysine (PLL) capsules were successfully fabricated through a layer-by-layer (LbL) self-assembly of DNA and PLL on porous CaCO3 microparticles, followed by removal of templates with ethylenediamine tetraacetic acid disodium salt (EDTA). The enzymatic degradation of the capsules in the presence of alpha-chymotrypsin was explored. The higher the enzyme concentration, the higher is the degradation rate of hollow capsules. in addition, glutaric dialdehyde (GA) cross-linking was found to be another way to manipulate degradation rate of hollow capsules.

Synthesis and characterization of phenylene-thiophene all-conjugated diblock copolymers

Grignard metathesis (GRIM) polymerization for all-conjugated diblock copolymers comprising poly (2,5-dihexyloxy-1,4-phenylene) (PPP) and poly(3-hexylthiophene) (P3HT) blocks were systematically studied with LiCl as additive and 1,2-bis (diphenylphosphino) ethane nickel dichloride (Ni(dppe)Cl-2) or 1,3-bis(diphenylphosphino) propane nickel dichloride (Ni(dppp)Cl-2) as catalyst. It was found that the addition order of the monomers was crucial for the success of copolymerization. With the monomer addition in the order of phenyl and then thienyl Grignard reagents, all-conjugated PPP-b-P3HT diblock copolymers with different block ratios were successfully synthesized. In contrast, the inverted addition order only afforded a mixture containing both block copolymers and deactivated or end-capped homopolymers.

Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G

More than 22 000 folding kinetic simulations were performed to study the temperature dependence of the distribution of first passage time (FPT) for the folding of an all-atom Go-like model of the second beta-hairpin fragment of protein G. We find that the mean FPT (MFPT) for folding has a U (or V)-shaped dependence on the temperature with a minimum at a characteristic optimal folding temperature T-opt*. The optimal folding temperature T-opt* is located between the thermodynamic folding transition temperature and the solidification temperature based on the Lindemann criterion for the solid. Both the T-opt* and the MFPT decrease when the energy bias gap against nonnative contacts increases. The high-order moments are nearly constant when the temperature is higher than T-opt* and start to diverge when the temperature is lower than T-opt*. The distribution of FPT is close to a log-normal-like distribution at T* greater than or equal to T-opt*. At even lower temperatures, the distribution starts to develop long power-law-like tails, indicating the non-self-averaging intermittent behavior of the folding dynamics. It is demonstrated that the distribution of FPT can also be calculated reliably from the derivative of the fraction not folded (or fraction folded), a measurable quantity by routine ensemble-averaged experimental techniques at dilute protein concentrations.

Isothermal and nonisothermal crystallization of poly(aryl ether ketone ketone) with all-para phenylene linkage

Isothermal and nonisothermal crystallization behavior for PEKK(T) was studied using differential scanning calorimetry (DSC), transmission electron microscopy (TEM), and electron diffraction (ED). In the isothermal crystallization process, the Avrami parameters obtained were n = 2.33-2.69, which shows crystal growth of two-dimensional extensions consistent with our observations by TEM. The lamellar thickness increases with the crystallization temperature of PEKK(T) crystallized isothermally from the melt. However, for the nonisothermal crystallization of PEKK(T), the results from the modified Avrami analysis show two different crystallization processes. Avrami exponents n(1) = 3.61-5.30, obtained from the primary crystallization process, are much bigger than are the secondary n(2) = 2.26-3.04 and confirmed by the observation of the spherulite morphology. PEKK(T) crystallized isothermally from the melt possesses the same crystal structure (Form I) as that from nonisothermal melt crystallization. The results from TEM observation show that the spherulite radius decreases with an increasing cooling rate. (C) 2001 John Wiley & Sons, Inc.

Computer perception of topological symmetry by all-paths algorithm

During the development of our ESESOC system (Expert System for the Elucidation of the Structures of Organic Compounds), computer perception of topological symmetry is essential in searching for the canonical description of a molecular structure, removing the irredundant connections in the structure generation process, and specifying the number of peaks in C-13- and H-1-NMR spectra in the structure evaluation process. In the present paper, a new path identifier is introduced and an algorithm for detection of topological symmetry from a connection table is developed by the all-paths method. (C) 1999 Elsevier Science B.V. All rights reserved.

Developing molecular identification numbers by an all-paths method

A new topological index is devised from an all-paths method. This molecular topological index has highly discriminating power for various kinds of organic compounds such as alkane trees, complex cyclic or polycyclic graphs, and structures containing heteroatoms and thus can be used as a Molecular IDentification number (MID) for chemical documentation. Some published MIDs derived from an all-paths method and their structural selectivity for alkane trees are also reviewed.

HIGH-TEMPERATURE SUPERCONDUCTOR, YBA2CU3O7-X AS ALL-SOLID-STATE LITHIUM CELL

The utility of the high-temperature superconductor, YBa2Cu3O7-x as the cathode material for an all-solid-state lithium cell has been examined. The capacity of YBa2Cu3O7-x is 223 mA h g-1 and the discharge efficiency is > 92%. Measurements of a.c. impedance show that the charge-transfer resistance at the interface of the electrolyte/cathode is very low and increases with the depth-of-discharge of the battery. Studies using X-ray photoelectron spectroscopy (XPS) reveal that the cathode becomes doped with Li+ ions as the cell discharges.

AN ALL-SOLID-STATE LITHIUM POLYANILINE RECHARGEABLE CELL

The performance of an all-solid-state cell having a lithium negative electrode, a modified polyethylene oxide (PEO)-epoxy resin (ER) electrolyte, and a polyaniline (PAn) positive electrode has been studied using cyclic voltammetry, charge/discharge cycling, and polarization curves at various temperatures. The redox reaction of the PAn electrode at the PAn/modifed PEO-ER interface exhibits good reversibility. At 50-80-degrees-C, the Li/PEO-ER-LiClO4/PAn cell shows more than 40 charge/discharge cycles, 90% charge/discharge efficiency, and 54 W h kg-1 discharge energy density (on PAn weight basis) at 50-mu-A between 2 and 4 V. The polarization performance of the battery improves steadily with increase in temperature.

基于Vega Prime的多水下机器人视景仿真系统的设计与实现

介绍了一套多水下机器人三维视景仿真系统。该系统采用虚拟现实技术，利用虚拟仿真软件VegaPrime 与Visual C++.NET 2003 混合编程实现三维视景仿真。它主要用于海洋环境的模拟和多水下机器人运行时的位姿更新、碰撞检测、环境效果及各种特效的实时显示。此外，它还具有响应各种输入/输出设备的功能和通过人性化图形界面接口与用户进行交互的功能。

植物对环境污染的磁学响应机理研究

With development of industry and acceleration of urbanization, problems of air quality as well as their influences on human health have recently been regarded highly by current international communities and governments. Generally, industrializations can result in exhausting of a lot of industry gases and dusts, while urbanization can cause increasing of modern vehicles. Comparing with traditional chemical methods, magnetic method is simple, rapid, exact, low-cost and non-destructive for monitoring air pollution and has been widely applied in domestic and international studies. In this thesis, with an aim of better monitoring air pollution, we selected plants (highroad-side perennial pine trees (Pinus pumila Regel) along a highroad linking Beijing City and the Capital International Airport, and tree bark and tree ring core samples (willow, Salix matsudana) nearby a smelting industry in northeast Beijing) for magnetic studies. With systemic magnetic measurements on these samples, magnetic response mechanism of contamination（e.g. tree leaves, tree ring）to both short- and long-term environmental pollution has been constructed, and accordingly the pollution range, degree and process of different time-scale human activities could be assessed. A series of rock magnetic experiments of tree leaves show that the primary magnetic mineral of leaf samples was identified to be magnetite, in pseudo-single domain (PSD) grain size range of 0.2-5.0 μm. Magnetite concentration and grain size in leaves are ascertained to decrease with increasing of sampling distance to highroad asphalt surface, suggesting that high magnetic response to traffic pollution is localized within a distance of about 2 m away from highroad asphalt surface. On the other hand, highroad-side trees and rainwater can effectively reduce the concentration of traffic pollution-induced particulate matters (PMs) in the atmosphere. This study is the first time to investigate the relationship of smelting factory activities and vicissitudes of environment with tree rings by magnetic methods. Results indicate that magnetic particles are omnipresent in tree bark and trunk wood. Magnetic techniques including low-temperature experiment, successive acquisition of IRM, hysteresis loops and SIRM measurements suggest that magnetic particles are predominated by magnetite in pseudo-single domain state. Comparison of magnetic properties of tree trunk and branch cores collected from different directions and heights implies that collection of magnetic particles depends on both sampling direction and height. Pollution source-facing tree trunk wood contains significantly more magnetic particles than other sides. These indicate that magnetic particles are most likely intercepted and collected by tree bark first, then enter into tree xylem tissues by translocation during growing season, and are finally enclosed in a tree ring by lignifying. Correlation between magnetic properties such as time-dependent SIRM values of tree ring cores and the annual steel yields of the smelting factory is significant. Considering the dependence of magnetic properties in sampling directions, heights, and ring cores, we proposed that magnetic particles in the xylem cannot move between tree rings. Accordingly, the SIRM and some other magnetic parameters of tree ring cores from the source-facing side could be contributed to historical study of atmospheric pollution produced by heavy metal smelting activities, isoline diagrams of SIRM values of all the tree rings indicate that air pollution is increasing worse. We believed that a synthetic rock magnetic study is an effective method for determining concentration and grain size of ferromagnets in the atmospheric PMs, and then it should be a rapid and feasible technique for monitoring atmospheric pollution.

大别山太湖地区榴辉岩变质P-T条件及构造意义

As far as the architecture of the south Dabie metamorphic terrain is concerned, there have been lots of different opinions for a long time. Wang et al. (1990, 1992) thought of it was a continuous terrain. Okay (1993) held that it consistes of two different tectonic terrains: the 'hot' and 'cold' eclogite belt. Liu and Wang (1998) held that it is composed of different metamorphic blocks through 'melange' in depth. For this reason, we have choiced Hualiangting reservoir of Taihu county as the study area treat eclogite as the investigated objection in this thesis, and employ the detailed 1 :10000 geological mapping, methods of Petrography and electonic probe anaylsis to probe into the architecture of the south Dabie metamorphic terrains. In the light of the eclogite occurrenc in the field, the analysis of Petrography, the research on metamoiphic P-T path and condition of the peak metamorphic P-T condition, the eclogite in the Taihu area of Dabieshan have been classified into three types eclogite from the south to the north: The zhujiachong type eclogite; The Daba type eclogite; (3) The Jinheqiao type eclogite, their mineral composition, structure, and mineral component vary continuously. These eclogites have the same rnetamoiphic stages, P-T evolution pattern, and their peak P-T condition varies continuously. The zhujiachong type eclogite is formed in the high pressure metamoiphic environment. The Jinheqiao type eclogite is formed in the typical ultra-high pressure environment. The Daba type eclogite is formed in the transformed metamorphic environment between high pressure and ultra-high pressure metamorphism. All these evidences show that the south Dabie metamorphic terrain is a continuous metamorphic block and no large fault ever existed.

滑坡和泥石流致灾条件叠合技术及风险分析-以川藏公路然乌至鲁朗段为例

As one part of national road No. 318, Sichuan-Tibet (Chengdu-Lasha) Highway is one of traffic life lines connecting Tibet municipality to the inland, which is very important to the economic development of Tibet. In addition, it is still an important national defence routeway, with extremely important strategic position on maintaining the stability and solidarity of Tibet municipality and consolidating national defence. Particular geological condition, terrain and landform condition and hydrometeorological condition induce large-scale debris flows and landslides (including landslips) and the like geological hazards frequently occur along the highway. High frequency geological hazards not only result in high casualties and a great property loss, but also block traffic at every turn, obstructing the Sichuan-Tibet highway seriously. On the basis of considerable engineering geological investigation and analysis to the relative studying achievements of predecessors, it is found that one of the dominating reason incurring landslides or debris flows again and again in a place is that abundant loose materials are accumulated in valleys and slopes along the highway. Taking landslides' and debris flows along Ranwu-Lulang section of Sichuan-Tibet highway as studying objects, the sources and cause of formation of loose accumulation materials in the studying area are analyzed in detail, the major hazard-inducing conditions, hazard, dynamic risk, prediction of susceptibility degree of landslides and debris flows, and the relations between landslides and debris flows and various hazard-inducing conditions are systematically researched in this paper. All of these will provide scientific foundation for the future highway renovating and reducing and preventing geological hazards. For the purpose of quantitatively analyzing landslide and debris flow hazards, the conception of entropy and information entropy are extended, the conception of geological hazard entropy is brought forward, and relevant mathematics model is built. Additionally, a new approach for the dynamic risk analysis of landslide and debris flow is put forward based on the dynamic characteristics of the hazard of hazard-inducings and the vulnerability of hazard-bearings. The formation of landslide and debris flow is a non-linear process, which is synthetically affected by various factors, and whose formation mechanics is extremely complex. Aiming at this question, a muli-factors classifying and overlapping technique is brought forward on the basis of engineering geomechanics meta-synthesis (EGMS) thought and approach, and relevant mathematics model is also built to predict the susceptibility degree of landslide or debris flow. The example analysis result proves the validity of this thought and approach. To studying the problem that whether the formation and space distribution of landslides and debris flows are controlled by one or several hazard-inducing conditions, the theme graphics of landslides and debris flows hazard and various hazard-inducing conditions are overlapped to determine the relationship between hazard and hazard-inducing conditions. On this basis, the semi-quantitative engineering zonation of the studying area is carried out. In addition, the overlapping analysis method of the hazard-indue ing conditions of landslides and debris flows based on "digital graphics system" is advanced to orderly organize and effectively manage the spatial and attributive data of hazard and hazard-inducing conditions theme graphics, and to realize the effectively combination of graphics, images and figures.